├── .gitignore ├── Step3 MMseqs Search ├── .DS_Store ├── sub_mmseqs.pbs ├── README.md └── tsv2fasta.py ├── Step4 MMseqs Cluster ├── .DS_Store ├── sub_cluster.pbs └── README.md ├── Step6 Representation Tree ├── .DS_Store ├── README.md └── get_clustered_sequence.py ├── README.md ├── Step1 Start Points ├── README.md └── 5xfy_clean.pdb ├── Step5 ProstT5 Representation ├── sub_calc_repr.pbs ├── README.md ├── prostt5_extract.py ├── environment.yml └── sequences │ └── refseq.fasta ├── Step2 FoldSeek Search ├── README.md └── foldseek_result_analysis.ipynb └── LICENSE /.gitignore: -------------------------------------------------------------------------------- 1 | .DS_Store 2 | -------------------------------------------------------------------------------- /Step3 MMseqs Search/.DS_Store: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ai4protein/VenusMine/HEAD/Step3 MMseqs Search/.DS_Store -------------------------------------------------------------------------------- /Step4 MMseqs Cluster/.DS_Store: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ai4protein/VenusMine/HEAD/Step4 MMseqs Cluster/.DS_Store -------------------------------------------------------------------------------- /Step6 Representation Tree/.DS_Store: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ai4protein/VenusMine/HEAD/Step6 Representation Tree/.DS_Store -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 1 | # VenusMine 2 | 3 | Codebase for protein language model based enzyme discovery pipeline 4 | 5 | contact: [zbztzhz@gmail.com](mailto:zbztzhz@gmail.com) 6 | 7 | Please refer to the README file in each step. 8 | 9 | -------------------------------------------------------------------------------- /Step4 MMseqs Cluster/sub_cluster.pbs: -------------------------------------------------------------------------------- 1 | #PBS -q huge 2 | #PBS -l select=1:ncpus=96:mem=900gb 3 | #PBS -l walltime=168:00:00 4 | #PBS -N mmseqs 5 | 6 | cd $PBS_O_WORKDIR 7 | module load MMseqs 8 | 9 | mmseqs easy-cluster [INPUT_FILE_NAME].fasta [INPUT_FILE_NAME]_s50 tmp/ --min-seq-id 0.5 --threads 96 10 | 11 | 12 | -------------------------------------------------------------------------------- /Step1 Start Points/README.md: -------------------------------------------------------------------------------- 1 | # Step 1: Starting Point 2 | 3 | Requirements: 4 | - Target protein structure (.pdb) 5 | 6 | 7 | 8 | Example: 9 | 10 | - *Is*PETase (PDB 5XFY) original PDB file 11 | - Cleaned PDB file, removed solvent, metal ions, ligands 12 | - These items are not useful for FoldSeek search 13 | - An example is provided as `5xfy_clean.pdb` 14 | 15 | -------------------------------------------------------------------------------- /Step5 ProstT5 Representation/sub_calc_repr.pbs: -------------------------------------------------------------------------------- 1 | #PBS -q ai 2 | #PBS -l select=1:ncpus=6:ngpus=1:mem=128gb:host=ai1 3 | #PBS -l walltime=168:00:00 4 | #PBS -N calc_repr 5 | ##PBS -e task_file/${PDB_JOBNAME}_${PBS_JOBID}.err 6 | ##PBS -o task_file/${PDB_JOBNAME}_${PBS_JOBID}.out 7 | 8 | cd $PBS_O_WORKDIR 9 | module load Anaconda3 cuda/11.7 10 | 11 | 12 | file_name="xxx_NR" 13 | model_name="prostt5" 14 | 15 | # load environment 16 | if [[ $model_name == esm* ]]; then 17 | source activate esmfold 18 | elif [[ $model_name == pro*tt5 ]]; then 19 | source activate prostt5 20 | else 21 | echo "Model ${model_name} not supported" 22 | fi 23 | 24 | 25 | python ${model_name}_extract.py sequence/${file_name}.fasta result_${model_name}/ --log_file task_file/${file_name}_${model_name}.log 26 | 27 | 28 | -------------------------------------------------------------------------------- /Step4 MMseqs Cluster/README.md: -------------------------------------------------------------------------------- 1 | # Step 4: MMseqs Cluster 2 | 3 | Since there might be too much sequence after step 3, we tend to use MMseqs2 to cluster similar sequences 4 | 5 | ## Commands 6 | 7 | First, move the searched result `.fasta` file in step 3 in this directory (you can create one) 8 | 9 | Then modify the `sub_cluster.pbs` file (change parameters like input and output file names) 10 | 11 | Finally, submit the job using: 12 | 13 | Note: no additional requirements than step 3 14 | 15 | ```bash 16 | qsub sub_cluster.pbs 17 | ``` 18 | 19 | ## Details 20 | 21 | Example code in `sub_cluster.pbs` 22 | 23 | This cluster sequences at 50% sequence identity 24 | 25 | ```bash 26 | mmseqs easy-cluster clus2_NR.fasta clus2_NR_s50 tmp/ --min-seq-id 0.5 --threads 96 27 | ``` 28 | 29 | No additional software requirement compared to Step 3. 30 | 31 | -------------------------------------------------------------------------------- /Step5 ProstT5 Representation/README.md: -------------------------------------------------------------------------------- 1 | # Step 5: ProstT5 Representation 2 | 3 | ## Installation 4 | 5 | Create and install packages via conda (recommended) 6 | - This will help you create an environment named `prostt5` 7 | 8 | ```bash 9 | conda env create -f environment.yml 10 | ``` 11 | 12 | Install packages one-by-one (not recommended) 13 | 14 | ```bash 15 | conda install pytorch -c pytorch # for CPU 16 | conda install pytorch pytorch-cuda -c pytorch -c nvidia # for GPU 17 | conda install transformers 18 | conda install -c conda-forge sentencepiece 19 | conda install -c conda-forge protobuf 20 | ``` 21 | 22 | User might need to download ProstT5 parameters, it may takes several minutes. ProstT5 version and documentation can be found in [Hugging Face](https://huggingface.co/Rostlab/ProstT5) 23 | 24 | For EC dataset, you need to also calculate the representation of`ec_dataset.fasta`, which is available at https://zenodo.org/records/15163501 25 | -------------------------------------------------------------------------------- /Step2 FoldSeek Search/README.md: -------------------------------------------------------------------------------- 1 | # Step 2: FoldSeek Search 2 | 3 | There are 2 stages in this step: 4 | - Run FoldSeek search in [FoldSeek webserver](https://search.foldseek.com/search) 5 | - Use the prepared start points in step 1 6 | - Download the **hit table** `.m8` files 7 | - Run local jupyter notebook `foldseek_result_analysis.ipynb` 8 | - Some file name / folder name should be adjusted 9 | - Save a `{folder_name}_foldseek.fasta` file in the correspond foldseek result folder 10 | - Running this code does not need other installed packages 11 | 12 | 13 | The file tree should be: 14 | ``` 15 | Step2 FoldSeek Search/ 16 | ├── xxx(protein_name)/ 17 | │ ├── alis_afdb-proteome.m8 18 | │ ├── alis_afdb-swissprot.m8 19 | │ ├── alis_afdb50.m8 20 | │ ├── alis_cath50.m8 21 | │ ├── alis_gmgcl_id.m8 22 | │ ├── alis_mgnify_esm30.m8 23 | │ ├── alis_pdb100.m8 24 | └── foldseek_result_analysis.ipynb 25 | ``` 26 | 27 | 28 | Some bugs might because: 29 | - Chinese names or spaces in file name 30 | 31 | 32 | 33 | 34 | -------------------------------------------------------------------------------- /Step3 MMseqs Search/sub_mmseqs.pbs: -------------------------------------------------------------------------------- 1 | #PBS -q huge 2 | #PBS -l select=1:ncpus=96:mem=900gb 3 | #PBS -l walltime=168:00:00 4 | #PBS -N mmseqs 5 | 6 | cd $PBS_O_WORKDIR 7 | module load MMseqs Anaconda3 8 | source activate base 9 | 10 | INPUT_FILE_NAME="AcCas12n" 11 | DATABASE_NAME="NR" 12 | 13 | 14 | if [[ $DATABASE_NAME == NR ]]; then 15 | DATABASE_PATH="/global/lhshare/mmseqs_database/NR/NR" 16 | elif [[ $DATABASE_NAME == MEER ]]; then 17 | DATABASE_PATH="/global/lhshare/mmseqs_database/MEER/MEER" 18 | else 19 | echo "Dataset ${DATABASE_NAME} not supported" 20 | fi 21 | 22 | # run easy-search, note the input should come from foldseek 23 | mmseqs easy-search ${INPUT_FILE_NAME}_foldseek.fasta ${DATABASE_PATH} ${INPUT_FILE_NAME}_${DATABASE_PATH}.tsv --format-output "query,target,pident,fident,nident,alnlen,bits,tseq,evalue" tmp --threads 96 --num-iterations 2 --max-seqs 2500 --search-type 1 24 | # run tsv2fasta, create a fasta file for further clustering 25 | python tsv2fasta.py ${INPUT_FILE_NAME}_${DATABASE_PATH}.tsv ${INPUT_FILE_NAME}_${DATABASE_PATH}.fasta 26 | # run easy-cluster, cluster with 0.5 identity 27 | mmseqs easy-cluster ${INPUT_FILE_NAME}_${DATABASE_PATH}.fasta ${INPUT_FILE_NAME}_${DATABASE_PATH}_s50 tmp/ --min-seq-id 0.5 --threads 96 28 | 29 | -------------------------------------------------------------------------------- /Step6 Representation Tree/README.md: -------------------------------------------------------------------------------- 1 | # Step 6: Representation Tree 2 | 3 | Follow the steps in `deep_tree.ipynb` 4 | 5 | Requirement: 6 | - matplotlib v3.7.1 7 | - numpy v1.24.3 8 | - scipy v1.10.1 9 | - pandas v1.5.3 10 | 11 | Acutally, these packages are broadly available in conda environments, and almost all versions of these packages should work for this notebook. 12 | 13 | ## Data preperation 14 | 15 | - `refseq.pkl` is the ProstT5 representation from step 5, there sequences are reference sequences, which has confirmed activity. 16 | - `result.pkl` is the ProstT5 representation from step 5, sequences are from step 4 mmseqs clusters 17 | - `ec.pkl` is ProstT5 representation from step 5, sequences are from SwissProt with confirmed EC number 18 | - `ec_dataset.csv` contains the information for `ec.pkl`, this file is available at https://zenodo.org/records/15163501 19 | 20 | We provide the fasta files in step 5 `sequence` folder to calculated `ec.pkl` and `refseq.pkl` used in our PETase discovery study. If you want to do for another enzyme, you should provide new `refseq.pkl`, but you can keep the `ec.pkl` 21 | 22 | The result will have 2 files: 23 | - A repr. tree figure (different repr. tree clusters are colored differently) 24 | - A `.tsv` file with sequence information included, you can find the sequence name and repr. tree cluster of them 25 | -------------------------------------------------------------------------------- /Step3 MMseqs Search/README.md: -------------------------------------------------------------------------------- 1 | # Step 3: MMseqs Search 2 | 3 | ## Overview 4 | This step, we use the latest version of [MMseqs2](https://github.com/soedinglab/MMseqs2) to search through sequence database, in order to get expand the discovered enzyme database 5 | 6 | Recommended databases: 7 | - NCBI no redundant database (NR) 8 | - MEER (this is a private deep-sea sequencing database) 9 | 10 | ## Requirements 11 | 12 | What you need to prepare before you submit the job 13 | - MMseqs module (already installed on server) or MMseqs software installed 14 | - Database: NR or MEER or etc. First downloading NR database can refer to the MMseqs2 document 15 | - Input file: xxx_foldseek.fasta 16 | 17 | ## Submit the job 18 | submit the mmseqs job `sub_mmseqs.pbs` using the `qsub` command: 19 | 20 | ```bash 21 | qsub sub_mmseqs.pbs 22 | ``` 23 | 24 | Some file name adjustments needs to be done. 25 | 26 | ## Command One-by-one 27 | 28 | Command 1: use `mmseqs` to search through the NCBI NR or MEER database 29 | 30 | ```bash 31 | mmseqs easy-search protein_foldseek.fasta /global/lhshare/mmseqs_database/MEER/MEER protein_MEER.tsv --format-output "query,target,pident,fident,nident,alnlen,bits,tseq,evalue" tmp --threads 96 --num-iterations 2 --max-seqs 2500 --search-type 1 32 | ``` 33 | 34 | Command 2: use `tsv2fasta.py` to convert the `.tsv` file to a `.fasta` file. This code has no package requirement 35 | 36 | ```bash 37 | python tsv2fasta.py protein_MEER.tsv protein_MEER.fasta 38 | ``` 39 | 40 | 41 | 42 | -------------------------------------------------------------------------------- /Step3 MMseqs Search/tsv2fasta.py: -------------------------------------------------------------------------------- 1 | import argparse 2 | 3 | def read_tsv(file_name): 4 | """ 5 | Read the tsv file from mmseqs2 cluster output 6 | :param file_name: the file name 7 | :return: a list of lists 8 | """ 9 | 10 | seq_info_list = [] 11 | header = ["query","target","pident","fident","nident","alnlen","bits","tseq","evalue"] 12 | with open(file_name, 'r') as f: 13 | while True: 14 | line = f.readline() 15 | if not line: 16 | break 17 | seq_info = line.strip().split('\t') 18 | seq_info_list.append(seq_info) 19 | 20 | 21 | assert len(seq_info_list[0]) == len(header), "The length of the header is not equal to the length of the line" 22 | return header, seq_info_list 23 | 24 | 25 | def out_fasta(header, seq_info_list, out_file_name, evalue=1e-5): 26 | """ 27 | Output the fasta file 28 | """ 29 | tag_index = header.index("target") 30 | seq_index = header.index("tseq") 31 | evalue_index = header.index("evalue") 32 | 33 | if evalue is None: 34 | with open(out_file_name, 'w') as f: 35 | for seq_info in seq_info_list: 36 | f.write(">" + seq_info[tag_index] + "\n") 37 | f.write(seq_info[seq_index] + "\n") 38 | else: 39 | with open(out_file_name, 'w') as f: 40 | for seq_info in seq_info_list: 41 | if seq_info[evalue_index] <= evalue: 42 | f.write(">" + seq_info[tag_index] + "\n") 43 | f.write(seq_info[seq_index] + "\n") 44 | 45 | return None 46 | 47 | 48 | 49 | def main(input_file, output_file): 50 | header, data = read_tsv(input_file) 51 | print("Load the tsv file successfully, length: ", len(data)) 52 | out_fasta(header, data, output_file, evalue=None) 53 | 54 | 55 | if __name__ == "__main__": 56 | parser = argparse.ArgumentParser( 57 | description="Process some TSV and output to FASTA.", 58 | usage="python %(prog)s " 59 | ) 60 | parser.add_argument('input_file', type=str, help='Input TSV file') 61 | parser.add_argument('output_file', type=str, help='Output FASTA file') 62 | 63 | args = parser.parse_args() 64 | main(args.input_file, args.output_file) 65 | 66 | -------------------------------------------------------------------------------- /Step6 Representation Tree/get_clustered_sequence.py: -------------------------------------------------------------------------------- 1 | import argparse 2 | 3 | 4 | def parse_fasta(filename): 5 | """ 6 | Parses a FASTA file and returns a dictionary with the header as the key and the sequence as the value. 7 | 8 | Args: 9 | filename (str): The path to the FASTA file. 10 | 11 | Returns: 12 | dict: A dictionary with the header as the key and the sequence as the value. 13 | """ 14 | with open(filename, 'r') as f: 15 | contents = f.read().split('>')[1:] 16 | data = {} 17 | for entry in contents: 18 | lines = entry.split('\n') 19 | header = lines[0] 20 | sequence = ''.join(lines[1:]) 21 | sequence = sequence.replace("*", "") if "*" in sequence else sequence 22 | data[header] = sequence 23 | return data 24 | 25 | 26 | 27 | def read_mmseqs_cluster_tsv(file_name): 28 | """ 29 | Read the tsv file from mmseqs2 cluster output 30 | """ 31 | 32 | cluster_info = [] 33 | with open(file_name, 'r') as f: 34 | while True: 35 | line = f.readline() 36 | if not line: 37 | break 38 | cluster_info.append(line.strip().split('\t')) 39 | 40 | 41 | assert len(cluster_info[0]) == 2, "The length of the line is not equal to 2" 42 | return cluster_info 43 | 44 | 45 | def out_fasta(data, out_file_name): 46 | """ 47 | Output the fasta file 48 | """ 49 | 50 | with open(out_file_name, 'w') as f: 51 | for header, sequence in data.items(): 52 | f.write(">" + header + "\n") 53 | f.write(sequence + "\n") 54 | 55 | return None 56 | 57 | 58 | def read_selected_cluster_names(file_name): 59 | """ 60 | Read the selected cluster names 61 | """ 62 | 63 | cluster_names = [] 64 | with open(file_name, 'r') as f: 65 | while True: 66 | line = f.readline() 67 | if not line: 68 | break 69 | cluster_name = line.strip() 70 | cluster_names.append(cluster_name) 71 | 72 | return cluster_names 73 | 74 | 75 | def main(): 76 | # Parse command line arguments 77 | parser = argparse.ArgumentParser(description='Process selected cluster names.') 78 | parser.add_argument('cluster_names_file', type=str, help='Path to the file containing selected cluster names') 79 | parser.add_argument('mmseqs_clusters_file', type=str, help='Path to the mmseqs clusters file') 80 | parser.add_argument('fasta_file', type=str, help='Path to the full fasta file') 81 | parser.add_argument('output_fasta_file', type=str, help='Path to the output file') 82 | parser.add_argument('output_cluster_file', type=str, help='Path to the output cluster file') 83 | args = parser.parse_args() 84 | 85 | # Read selected cluster names 86 | cluster_names = read_selected_cluster_names(args.cluster_names_file) 87 | # read the full fasta file 88 | full_data = parse_fasta(args.fasta_file) 89 | 90 | # Get full sequence names from mmseqs clusters 91 | cluster_info = read_mmseqs_cluster_tsv(args.mmseqs_clusters_file) 92 | 93 | 94 | # select the cluster info 95 | selected_cluster_info = ["|".join(item) for item in cluster_info if item[0] in cluster_names] 96 | # remove duplicates 97 | selected_cluster_info = list(set(selected_cluster_info)) 98 | # recover the original format 99 | selected_cluster_info = [item.split("|") for item in selected_cluster_info] 100 | 101 | 102 | # save the selected cluster info 103 | with open(args.output_cluster_file, 'w') as f: 104 | for item in selected_cluster_info: 105 | f.write(item[0] + "\t" + item[1] + "\n") 106 | 107 | # selected_sequence_ids = [item[1] for item in cluster_info if item[0] in cluster_names] 108 | # # remove duplicates 109 | # selected_sequence_ids = list(set(selected_sequence_ids)) 110 | 111 | # get output data and save to fasta 112 | output_data = {} 113 | for _,sequence_id in selected_cluster_info: 114 | output_data[sequence_id] = full_data[sequence_id] 115 | out_fasta(output_data, args.output_fasta_file) 116 | 117 | 118 | 119 | if __name__ == '__main__': 120 | main() 121 | 122 | 123 | -------------------------------------------------------------------------------- /Step5 ProstT5 Representation/prostt5_extract.py: -------------------------------------------------------------------------------- 1 | from transformers import T5Tokenizer, T5EncoderModel 2 | import torch 3 | import numpy as np 4 | import time 5 | import pickle 6 | import glob 7 | import os 8 | import logging 9 | import argparse 10 | 11 | 12 | SEQ_THRESHOLD = 1000 # Change this value if you want to set a different threshold 13 | BATCH_SIZE = 1 # Set the batch size 14 | CUDA_DEVICE = 'cuda:0' # Choose which CUDA device to use 15 | 16 | 17 | # Parses fasta file and returns sequence header and sequence in a list 18 | def parse_fasta(filename): 19 | with open(filename, 'r') as f: 20 | contents = f.read().split('>')[1:] 21 | data = [] 22 | for entry in contents: 23 | lines = entry.split('\n') 24 | header = lines[0] 25 | sequence = ''.join(lines[1:]) 26 | sequence = sequence.replace("*", "") if "*" in sequence else sequence 27 | if len(sequence) <= SEQ_THRESHOLD and all(aa in 'ACDEFGHIKLMNPQRSTVWY' for aa in sequence): 28 | data.append((header, sequence)) 29 | return data 30 | 31 | 32 | # Returns sequence labels, sequences, and their ESM representations 33 | def calculate_representation(model, tokenizer, data, device, logger, start_time): 34 | 35 | sequence_labels, sequence_strs, sequence_representations = [], [], [] 36 | total_sequences, num_batches = len(data), len(data) // BATCH_SIZE + (len(data) % BATCH_SIZE != 0) 37 | 38 | for batch in range(num_batches): 39 | start_idx, end_idx = batch * BATCH_SIZE, (batch + 1) * BATCH_SIZE 40 | if end_idx > total_sequences: 41 | end_idx = total_sequences 42 | 43 | batch_labels = [] 44 | batch_strs = [] 45 | batch_strs_model = [] 46 | 47 | for i in range(start_idx, end_idx): 48 | batch_labels.append(data[i][0]) 49 | batch_strs.append(data[i][1]) 50 | if data[i][1].isupper(): 51 | batch_strs_model.append("" + " " + " ".join(list(data[i][1]))) 52 | else: 53 | batch_strs_model.append("" + " " + " ".join(list(data[i][1]))) 54 | 55 | 56 | 57 | # tokenize sequences and pad up to the longest sequence in the batch 58 | ids = tokenizer.batch_encode_plus(batch_strs_model, add_special_tokens=True, padding="longest",return_tensors='pt').to(device) 59 | 60 | # generate embeddings 61 | with torch.no_grad(): 62 | token_representations = model( 63 | ids.input_ids, 64 | attention_mask=ids.attention_mask 65 | ) 66 | 67 | 68 | for i in range(len(batch_strs)): 69 | sequence_representations.append(token_representations.last_hidden_state[i,1:len(batch_strs[i])+1].mean(dim=0).cpu().numpy()) 70 | sequence_labels.append(batch_labels[i]) 71 | sequence_strs.append(batch_strs[i]) 72 | 73 | logger.info(f"Batch {batch + 1}/{num_batches} processed in {time.time() - start_time} seconds. Progress: {100.0 * (batch + 1) / num_batches:.2f}%") 74 | 75 | del batch_labels, batch_strs, batch_strs_model, token_representations 76 | torch.cuda.empty_cache() 77 | 78 | return sequence_labels, sequence_strs, np.vstack(sequence_representations) 79 | 80 | 81 | # Saves the representation, sequence labels, and sequences to a pickle file 82 | def save_representation(sequence_labels, sequence_strs, representation, output_file): 83 | with open(output_file, 'wb') as f: 84 | pickle.dump({"labels": sequence_labels, "sequences": sequence_strs, "representations": representation}, f) 85 | 86 | 87 | def main(input_files_pattern, output_dir, log_file): 88 | # Setting up logging 89 | logging.basicConfig(filename=log_file, filemode='w', format='%(name)s - %(levelname)s - %(message)s') 90 | logger = logging.getLogger(__name__) 91 | logger.setLevel(logging.INFO) 92 | 93 | start_time = time.time() 94 | 95 | device = CUDA_DEVICE if torch.cuda.is_available() else 'cpu' 96 | logger.info(f"Device: {device}") 97 | 98 | tokenizer = T5Tokenizer.from_pretrained('Rostlab/ProstT5', do_lower_case=False) 99 | model = T5EncoderModel.from_pretrained("Rostlab/ProstT5").to(device) 100 | # only GPUs support half-precision currently; if you want to run on CPU use full-precision (not recommended, much slower) 101 | model.full() if device=='cpu' else model.half() 102 | 103 | 104 | input_files = glob.glob(input_files_pattern) 105 | 106 | for input_file in input_files: 107 | data = parse_fasta(input_file) 108 | logger.info(f"Read {len(data)} sequences from {input_file}.") 109 | 110 | sequence_labels, sequence_strs, representation = calculate_representation(model, tokenizer, data, device, logger, start_time) 111 | 112 | output_filename = os.path.splitext(os.path.basename(input_file))[0] + '.pkl' 113 | output_file = os.path.join(output_dir, output_filename) 114 | 115 | save_representation(sequence_labels, sequence_strs, representation, output_file) 116 | 117 | logger.info(f"Total time taken: {time.time() - start_time} seconds") 118 | 119 | 120 | 121 | if __name__ == "__main__": 122 | parser = argparse.ArgumentParser(description='Compute representations for protein sequences.') 123 | parser.add_argument('input_files_pattern', type=str, help='Input pattern to match fasta files.') 124 | parser.add_argument('output_dir', type=str, help='Output directory to save representations.') 125 | parser.add_argument('--log_file', type=str, default='repr_extract.log', help='Path to save the log file.') 126 | 127 | args = parser.parse_args() 128 | 129 | if not os.path.exists(args.output_dir): 130 | print(f"Error: Output directory '{args.output_dir}' does not exist!") 131 | print(f"Given input: {args}") 132 | exit(1) 133 | 134 | main(args.input_files_pattern, args.output_dir, args.log_file) 135 | 136 | 137 | 138 | 139 | -------------------------------------------------------------------------------- /Step5 ProstT5 Representation/environment.yml: -------------------------------------------------------------------------------- 1 | name: prostt5 2 | channels: 3 | - pytorch 4 | - huggingface 5 | - nvidia 6 | - defaults 7 | dependencies: 8 | - _libgcc_mutex=0.1=main 9 | - _openmp_mutex=5.1=1_gnu 10 | - abseil-cpp=20211102.0=hd4dd3e8_0 11 | - aiohttp=3.8.3=py310h5eee18b_0 12 | - aiosignal=1.2.0=pyhd3eb1b0_0 13 | - arrow-cpp=11.0.0=h374c478_2 14 | - async-timeout=4.0.2=py310h06a4308_0 15 | - attrs=22.1.0=py310h06a4308_0 16 | - aws-c-common=0.6.8=h5eee18b_1 17 | - aws-c-event-stream=0.1.6=h6a678d5_6 18 | - aws-checksums=0.1.11=h5eee18b_2 19 | - aws-sdk-cpp=1.8.185=h721c034_1 20 | - blas=1.0=mkl 21 | - boost-cpp=1.82.0=hdb19cb5_1 22 | - bottleneck=1.3.5=py310ha9d4c09_0 23 | - brotlipy=0.7.0=py310h7f8727e_1002 24 | - bzip2=1.0.8=h7b6447c_0 25 | - c-ares=1.19.0=h5eee18b_0 26 | - ca-certificates=2023.05.30=h06a4308_0 27 | - certifi=2023.7.22=py310h06a4308_0 28 | - cffi=1.15.1=py310h5eee18b_3 29 | - charset-normalizer=2.0.4=pyhd3eb1b0_0 30 | - cryptography=41.0.2=py310h22a60cf_0 31 | - cuda-cudart=11.7.99=0 32 | - cuda-cupti=11.7.101=0 33 | - cuda-libraries=11.7.1=0 34 | - cuda-nvrtc=11.7.99=0 35 | - cuda-nvtx=11.7.91=0 36 | - cuda-runtime=11.7.1=0 37 | - dataclasses=0.8=pyh6d0b6a4_7 38 | - datasets=2.14.4=py_0 39 | - dill=0.3.7=py310h06a4308_0 40 | - ffmpeg=4.3=hf484d3e_0 41 | - filelock=3.9.0=py310h06a4308_0 42 | - freetype=2.12.1=h4a9f257_0 43 | - frozenlist=1.3.3=py310h5eee18b_0 44 | - fsspec=2023.4.0=py310h06a4308_0 45 | - gflags=2.2.2=he6710b0_0 46 | - giflib=5.2.1=h5eee18b_3 47 | - glog=0.5.0=h2531618_0 48 | - gmp=6.2.1=h295c915_3 49 | - gmpy2=2.1.2=py310heeb90bb_0 50 | - gnutls=3.6.15=he1e5248_0 51 | - grpc-cpp=1.48.2=he1ff14a_1 52 | - huggingface_hub=0.16.4=py_0 53 | - icu=73.1=h6a678d5_0 54 | - idna=3.4=py310h06a4308_0 55 | - importlib-metadata=6.0.0=py310h06a4308_0 56 | - intel-openmp=2023.1.0=hdb19cb5_46305 57 | - jinja2=3.1.2=py310h06a4308_0 58 | - jpeg=9e=h5eee18b_1 59 | - krb5=1.20.1=h143b758_1 60 | - lame=3.100=h7b6447c_0 61 | - lcms2=2.12=h3be6417_0 62 | - ld_impl_linux-64=2.38=h1181459_1 63 | - lerc=3.0=h295c915_0 64 | - libboost=1.82.0=ha8e66a6_1 65 | - libbrotlicommon=1.0.9=h5eee18b_7 66 | - libbrotlidec=1.0.9=h5eee18b_7 67 | - libbrotlienc=1.0.9=h5eee18b_7 68 | - libcublas=11.10.3.66=0 69 | - libcufft=10.7.2.124=h4fbf590_0 70 | - libcufile=1.7.2.10=0 71 | - libcurand=10.3.3.141=0 72 | - libcurl=8.2.1=h251f7ec_0 73 | - libcusolver=11.4.0.1=0 74 | - libcusparse=11.7.4.91=0 75 | - libdeflate=1.17=h5eee18b_0 76 | - libedit=3.1.20221030=h5eee18b_0 77 | - libev=4.33=h7f8727e_1 78 | - libevent=2.1.12=hdbd6064_1 79 | - libffi=3.4.4=h6a678d5_0 80 | - libgcc-ng=11.2.0=h1234567_1 81 | - libgomp=11.2.0=h1234567_1 82 | - libiconv=1.16=h7f8727e_2 83 | - libidn2=2.3.4=h5eee18b_0 84 | - libnghttp2=1.52.0=h2d74bed_1 85 | - libnpp=11.7.4.75=0 86 | - libnvjpeg=11.8.0.2=0 87 | - libpng=1.6.39=h5eee18b_0 88 | - libprotobuf=3.20.3=he621ea3_0 89 | - libssh2=1.10.0=hdbd6064_2 90 | - libstdcxx-ng=11.2.0=h1234567_1 91 | - libtasn1=4.19.0=h5eee18b_0 92 | - libthrift=0.15.0=h1795dd8_2 93 | - libtiff=4.5.1=h6a678d5_0 94 | - libunistring=0.9.10=h27cfd23_0 95 | - libuuid=1.41.5=h5eee18b_0 96 | - libwebp=1.2.4=h11a3e52_1 97 | - libwebp-base=1.2.4=h5eee18b_1 98 | - lz4-c=1.9.4=h6a678d5_0 99 | - markupsafe=2.1.1=py310h7f8727e_0 100 | - mkl=2023.1.0=h213fc3f_46343 101 | - mkl-service=2.4.0=py310h5eee18b_1 102 | - mkl_fft=1.3.6=py310h1128e8f_1 103 | - mkl_random=1.2.2=py310h1128e8f_1 104 | - mpc=1.1.0=h10f8cd9_1 105 | - mpfr=4.0.2=hb69a4c5_1 106 | - mpmath=1.3.0=py310h06a4308_0 107 | - multidict=6.0.2=py310h5eee18b_0 108 | - multiprocess=0.70.15=py310h06a4308_0 109 | - ncurses=6.4=h6a678d5_0 110 | - nettle=3.7.3=hbbd107a_1 111 | - networkx=3.1=py310h06a4308_0 112 | - numexpr=2.8.4=py310h85018f9_1 113 | - numpy=1.25.2=py310h5f9d8c6_0 114 | - numpy-base=1.25.2=py310hb5e798b_0 115 | - openh264=2.1.1=h4ff587b_0 116 | - openssl=3.0.10=h7f8727e_2 117 | - orc=1.7.4=hb3bc3d3_1 118 | - packaging=23.1=py310h06a4308_0 119 | - pandas=2.0.3=py310h1128e8f_0 120 | - pillow=9.4.0=py310h6a678d5_0 121 | - pip=23.2.1=py310h06a4308_0 122 | - pyarrow=11.0.0=py310h468efa6_1 123 | - pycparser=2.21=pyhd3eb1b0_0 124 | - pyopenssl=23.2.0=py310h06a4308_0 125 | - pysocks=1.7.1=py310h06a4308_0 126 | - python=3.10.12=h955ad1f_0 127 | - python-dateutil=2.8.2=pyhd3eb1b0_0 128 | - python-tzdata=2023.3=pyhd3eb1b0_0 129 | - python-xxhash=2.0.2=py310h5eee18b_1 130 | - pytorch=2.0.1=py3.10_cuda11.7_cudnn8.5.0_0 131 | - pytorch-cuda=11.7=h778d358_5 132 | - pytorch-mutex=1.0=cuda 133 | - pytz=2022.7=py310h06a4308_0 134 | - pyyaml=6.0=py310h5eee18b_1 135 | - re2=2022.04.01=h295c915_0 136 | - readline=8.2=h5eee18b_0 137 | - regex=2022.7.9=py310h5eee18b_0 138 | - requests=2.31.0=py310h06a4308_0 139 | - safetensors=0.3.2=py310hb02cf49_0 140 | - setuptools=68.0.0=py310h06a4308_0 141 | - six=1.16.0=pyhd3eb1b0_1 142 | - snappy=1.1.9=h295c915_0 143 | - sqlite=3.41.2=h5eee18b_0 144 | - sympy=1.11.1=py310h06a4308_0 145 | - tbb=2021.8.0=hdb19cb5_0 146 | - tk=8.6.12=h1ccaba5_0 147 | - tokenizers=0.13.2=py310h22610ee_1 148 | - torchtriton=2.0.0=py310 149 | - torchvision=0.15.2=py310_cu117 150 | - tqdm=4.65.0=py310h2f386ee_0 151 | - transformers=4.32.1=py310h06a4308_0 152 | - typing-extensions=4.7.1=py310h06a4308_0 153 | - typing_extensions=4.7.1=py310h06a4308_0 154 | - tzdata=2023c=h04d1e81_0 155 | - urllib3=1.26.16=py310h06a4308_0 156 | - utf8proc=2.6.1=h27cfd23_0 157 | - wheel=0.38.4=py310h06a4308_0 158 | - xxhash=0.8.0=h7f8727e_3 159 | - xz=5.4.2=h5eee18b_0 160 | - yaml=0.2.5=h7b6447c_0 161 | - yarl=1.8.1=py310h5eee18b_0 162 | - zipp=3.11.0=py310h06a4308_0 163 | - zlib=1.2.13=h5eee18b_0 164 | - zstd=1.5.5=hc292b87_0 165 | - pip: 166 | - asttokens==2.4.1 167 | - decorator==5.1.1 168 | - exceptiongroup==1.2.1 169 | - executing==2.0.1 170 | - ipython==8.25.0 171 | - jedi==0.19.1 172 | - matplotlib-inline==0.1.7 173 | - parso==0.8.4 174 | - pexpect==4.9.0 175 | - prompt-toolkit==3.0.47 176 | - protobuf==4.24.2 177 | - ptyprocess==0.7.0 178 | - pure-eval==0.2.2 179 | - pygments==2.18.0 180 | - sentencepiece==0.1.99 181 | - stack-data==0.6.3 182 | - traitlets==5.14.3 183 | - wcwidth==0.2.13 184 | prefix: /home/zbozt/.conda/envs/prostt5 185 | -------------------------------------------------------------------------------- /Step2 FoldSeek Search/foldseek_result_analysis.ipynb: -------------------------------------------------------------------------------- 1 | { 2 | "cells": [ 3 | { 4 | "cell_type": "code", 5 | "execution_count": 1, 6 | "metadata": { 7 | "metadata": {} 8 | }, 9 | "outputs": [], 10 | "source": [ 11 | "# Step 1: Prepare essential modules: FoldSeekAlignment, FoldSeekAlignmentParser\n", 12 | "\n", 13 | "\n", 14 | "class FoldSeekAlignment:\n", 15 | " def __init__(self, line):\n", 16 | " fields = line.strip().split('\\t')\n", 17 | " \n", 18 | " if len(fields) == 21:\n", 19 | " # for most databases\n", 20 | " self.qseqid = fields[0]\n", 21 | " self.tseqid = fields[1]\n", 22 | " self.pident = float(fields[2])\n", 23 | " self.alnlen = int(fields[3])\n", 24 | " self.mismatch = int(fields[4])\n", 25 | " self.gapopen = int(fields[5])\n", 26 | " self.qstart = int(fields[6])\n", 27 | " self.qend = int(fields[7])\n", 28 | " self.tstart = int(fields[8])\n", 29 | " self.tend = int(fields[9])\n", 30 | " self.evalue = float(fields[10])\n", 31 | " self.bitscore = float(fields[11])\n", 32 | " self.prob = int(fields[12])\n", 33 | " self.qlen = int(fields[13])\n", 34 | " self.tlen = int(fields[14])\n", 35 | " self.qaln = fields[15]\n", 36 | " self.taln = fields[16]\n", 37 | " self.tca = [float(x) for x in fields[17].split(',')]\n", 38 | " self.tseq = fields[18]\n", 39 | " self.ttaxid = fields[19]\n", 40 | " self.ttaxname = fields[20]\n", 41 | " elif len(fields) == 19:\n", 42 | " # for GMGC and MGnify\n", 43 | " self.qseqid = fields[0]\n", 44 | " self.tseqid = fields[1]\n", 45 | " self.pident = float(fields[2])\n", 46 | " self.alnlen = int(fields[3])\n", 47 | " self.mismatch = int(fields[4])\n", 48 | " self.gapopen = int(fields[5])\n", 49 | " self.qstart = int(fields[6])\n", 50 | " self.qend = int(fields[7])\n", 51 | " self.tstart = int(fields[8])\n", 52 | " self.tend = int(fields[9])\n", 53 | " self.evalue = float(fields[10])\n", 54 | " self.bitscore = float(fields[11])\n", 55 | " self.prob = int(fields[12])\n", 56 | " self.qlen = int(fields[13])\n", 57 | " self.tlen = int(fields[14])\n", 58 | " self.qaln = fields[15]\n", 59 | " self.taln = fields[16]\n", 60 | " self.tca = [float(x) for x in fields[17].split(',')]\n", 61 | " self.tseq = fields[18]\n", 62 | " self.ttaxid = None\n", 63 | " self.ttaxname = None\n", 64 | " else:\n", 65 | " raise ValueError(\"Invalid FoldSeek .m8 line format\")\n", 66 | "\n", 67 | " def __str__(self):\n", 68 | " return f\"Query: {self.query_id}, target: {self.pident}, E-value: {self.evalue}, Bit Score: {self.bit_score}\"\n", 69 | " \n", 70 | " def print_alignment(self):\n", 71 | " print(f\"Query: {self.qaln}\")\n", 72 | " print(f\"Targt: {self.taln}\")\n", 73 | "\n", 74 | "\n", 75 | "\n", 76 | "class FoldSeekAlignmentParser:\n", 77 | " def __init__(self, filename):\n", 78 | " self.filename = filename\n", 79 | "\n", 80 | " def parse(self):\n", 81 | " with open(self.filename, 'r') as f:\n", 82 | " alignments = [FoldSeekAlignment(line) for line in f.readlines()]\n", 83 | " return alignments\n", 84 | "\n", 85 | "\n", 86 | "\n", 87 | "def check_reasonability(seq):\n", 88 | " alphabet = set(seq)\n", 89 | " if alphabet - set(\"ACDEFGHIKLMNPQRSTVWY\") != set():\n", 90 | " return False\n", 91 | " return True" 92 | ] 93 | }, 94 | { 95 | "cell_type": "code", 96 | "execution_count": 2, 97 | "metadata": { 98 | "metadata": {} 99 | }, 100 | "outputs": [], 101 | "source": [ 102 | "# Step 2: input starting point, protected region\n", 103 | "folder_path = \"EPa23\"\n", 104 | "\n", 105 | "# set protected region\n", 106 | "protect_start = 9\n", 107 | "protect_end = 159" 108 | ] 109 | }, 110 | { 111 | "cell_type": "code", 112 | "execution_count": 3, 113 | "metadata": { 114 | "metadata": {} 115 | }, 116 | "outputs": [ 117 | { 118 | "name": "stdout", 119 | "output_type": "stream", 120 | "text": [ 121 | "Database: afdb_proteome , found alignments: 9\n", 122 | "Database: afdb_swissprot , found alignments: 10\n", 123 | "Database: afdb50 , found alignments: 993\n", 124 | "Database: cath50 , found alignments: 14\n", 125 | "Database: gmgcl_id , found alignments: 66\n", 126 | "Database: mgnify_esm30 , found alignments: 998\n", 127 | "Database: pdb100 , found alignments: 74\n", 128 | "=====================================\n", 129 | "Total fraction of select alignments: 0.7980591497227357\n", 130 | "Total number of select alignments: 1727\n" 131 | ] 132 | } 133 | ], 134 | "source": [ 135 | "# Step 3: Read and parse the alignment file\n", 136 | "folder_path = folder_path\n", 137 | "\n", 138 | "filename_list = [\n", 139 | " folder_path + \"/alis_afdb-proteome.m8\",\n", 140 | " folder_path + \"/alis_afdb-swissprot.m8\",\n", 141 | " folder_path + \"/alis_afdb50.m8\",\n", 142 | " folder_path + \"/alis_cath50.m8\",\n", 143 | " folder_path + \"/alis_gmgcl_id.m8\",\n", 144 | " folder_path + \"/alis_mgnify_esm30.m8\",\n", 145 | " folder_path + \"/alis_pdb100.m8\"\n", 146 | "]\n", 147 | "\n", 148 | "alignments_collection = []\n", 149 | "alignments_dbname = [\n", 150 | " \"afdb_proteome\",\n", 151 | " \"afdb_swissprot\",\n", 152 | " \"afdb50\",\n", 153 | " \"cath50\",\n", 154 | " \"gmgcl_id\",\n", 155 | " \"mgnify_esm30\",\n", 156 | " \"pdb100\"\n", 157 | "]\n", 158 | "\n", 159 | "# Parse the FoldSeek result files\n", 160 | "for filename in filename_list:\n", 161 | " parser = FoldSeekAlignmentParser(filename)\n", 162 | " alignments = parser.parse()\n", 163 | " alignments_collection.append(alignments)\n", 164 | "\n", 165 | "total_alignments = 0\n", 166 | "# print results\n", 167 | "for i in range(len(alignments_dbname)):\n", 168 | " print(\"Database:\",alignments_dbname[i],\", found alignments:\",len(alignments_collection[i]))\n", 169 | " total_alignments += len(alignments_collection[i])\n", 170 | "\n", 171 | "\n", 172 | "print(\"=====================================\")\n", 173 | "\n", 174 | "\n", 175 | "# save to fasta\n", 176 | "f_out = open(f\"{folder_path}/{folder_path}_foldseek.fasta\",\"w\")\n", 177 | "count = 0\n", 178 | "\n", 179 | "for alignments_index in range(len(alignments_dbname)):\n", 180 | " alignments = alignments_collection[alignments_index]\n", 181 | " alignments_db = alignments_dbname[alignments_index]\n", 182 | "\n", 183 | " for alignment in alignments:\n", 184 | " # consider protect region\n", 185 | " if alignment.qstart <= protect_start and alignment.qend >= protect_end:\n", 186 | " f_out.write(\">\" + alignments_db + \" \" + alignment.tseqid.split(\" \")[0] + \"\\n\")\n", 187 | " f_out.write(alignment.tseq + \"\\n\")\n", 188 | " count += 1\n", 189 | "\n", 190 | "print(\"Total fraction of select alignments:\",count/total_alignments)\n", 191 | "print(\"Total number of select alignments:\",count)\n", 192 | "\n", 193 | "f_out.close()\n" 194 | ] 195 | }, 196 | { 197 | "cell_type": "code", 198 | "execution_count": null, 199 | "metadata": {}, 200 | "outputs": [], 201 | "source": [] 202 | } 203 | ], 204 | "metadata": { 205 | "kernelspec": { 206 | "display_name": "default", 207 | "language": "python", 208 | "name": "python3" 209 | }, 210 | "language_info": { 211 | "codemirror_mode": { 212 | "name": "ipython", 213 | "version": 3 214 | }, 215 | "file_extension": ".py", 216 | "mimetype": "text/x-python", 217 | "name": "python", 218 | "nbconvert_exporter": "python", 219 | "pygments_lexer": "ipython3", 220 | "version": "3.10.13" 221 | } 222 | }, 223 | "nbformat": 4, 224 | "nbformat_minor": 2 225 | } 226 | -------------------------------------------------------------------------------- /Step5 ProstT5 Representation/sequences/refseq.fasta: -------------------------------------------------------------------------------- 1 | >IsPETase(WT) Filtered based on Tabel D3 2 | MNFPRASRLMQAAVLGGLMAVSAAATAQTNPYARGPNPTAASLEASAGPFTVRSFTVSRPSGYGAGTVYYPTNAGGTVGAIAIVPGYTARQSSIKWWGPRLASHGFVVITIDTNSTLDQPSSRSSQQMAALRQVASLNGTSSSPIYGKVDTARMGVMGWSMGGGGSLISAANNPSLKAAAPQAPWDSSTNFSSVTVPTLIFACENDSIAPVNSSALPIYDSMSRNAKQFLEINGGSHSCANSGNSNQALIGKKGVAWMKRFMDNDTRYSTFACENPNSTRVSDFRTANCS 3 | >IsPETase(W159H/S238F) 4 | MNFPRASRLMQAAVLGGLMAVSAAATAQTNPYARGPNPTAASLEASAGPFTVRSFTVSRPSGYGAGTVYYPTNAGGTVGAIAIVPGYTARQSSIKWWGPRLASHGFVVITIDTNSTLDQPSSRSSQQMAALRQVASLNGTSSSPIYGKVDTARMGVMGHSMGGGGSLISAANNPSLKAAAPQAPWDSSTNFSSVTVPTLIFACENDSIAPVNSSALPIYDSMSRNAKQFLEINGGSHFCANSGNSNQALIGKKGVAWMKRFMDNDTRYSTFACENPNSTRVSDFRTANCS 5 | >LCC(WT) 6 | MSNPYQRGPNPTRSALTADGPFSVATYTVSRLSVSGFGGGVIYYPTGTSLTFGGIAMSPGYTADASSLAWLGRRLASHGFVVLVINTNSRFDYPDSRASQLSAALNYLRTSSPSAVRARLDANRLAVAGHSMGGGGTLRIAEQNPSLKAAVPLTPWHTDKTFNTSVPVLIVGAEADTVAPVSQHAIPFYQNLPSTTPKVYVELDNASHFAPNSNNAAISVYTISWMKLWVDNDTRYRQFLCNVNDPALSDFRTNNRHCQ 7 | >LCC ICCG 8 | MSNPYQRGPNPTRSALTADGPFSVATYTVSRLSVSGFGGGVIYYPTGTSLTFGGIAMSPGYTADASSLAWLGRRLASHGFVVLVINTNSRFDGPDSRASQLSAALNYLRTSSPSAVRARLDANRLAVAGHSMGGGGTLRIAEQNPSLKAAVPLTPWHTDKTFNTSVPVLIVGAEADTVAPVSQHAIPFYQNLPSTTPKVYVELCNASHIAPNSNNAAISVYTISWMKLWVDNDTRYRQFLCNVNDPALCDFRTNNRHCQ 9 | >LCC WCCG 10 | MSNPYQRGPNPTRSALTADGPFSVATYTVSRLSVSGFGGGVIYYPTGTSLTFGGIAMSPGYTADASSLAWLGRRLASHGFVVLVINTNSRFDGPDSRASQLSAALNYLRTSSPSAVRARLDANRLAVAGHSMGGGGTLRIAEQNPSLKAAVPLTPWHTDKTFNTSVPVLIVGAEADTVAPVSQHAIPFYQNLPSTTPKVYVELCNASHWAPNSNNAAISVYTISWMKLWVDNDTRYRQFLCNVNDPALCDFRTNNRHCQ 11 | >BTA-1 12 | MANPYERGPNPTDALLEASSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF 13 | >101 14 | MCLYLNIWTPDLNGSLPVMVFIHGGGNQQGSTAQIAGGARIYEGKNLARRGQVVVVTLQYRLGALGYLVHPGLEAESTHGKAGNYGALDQLAALLWIKENIRAFGGDPELVTLFGESAGAVNIGNLLVMPAAKGLFHRAILQSGSPRLKAYSAARNEGIAFAQKLGAAGTPEQQVAHLRTLPVDSLVKGDSNPISGGSMAQGSWQPVLDGYWFPQAPLDAMRSGEHHRVPLIVGSSSDEMSLYVPSVVTPLMLQTFVQTTIPAPYRQQVLALYPPGTTNEQARASYVALVGDPLESTCRHAS 15 | >102 16 | MQSPAQSSAPTVELDSGAIAGSTADGVVSFKGIPYAAPPVGNLRWRAPQPVASWTGVRAATEYGYDCIQLPLEGDAAASGGEMSEDCLVLNVWRPAEIAPGERLPVLVWIHGGGFLNGSAAAPIYDGTAFAQQGLVVVSFNYRLGRLGFFAHPALTAANEGPLGNYGLMDQIAALEWVQRNIAAFGGDPARITLMGQSAGGISVMYHLTAPESQGLFHQAAVLSGGGRTYLLGLRNLRESTDALPSAEQSGLAFGRRFGIRGRGRAALRSLRSLSAEEVNGDLSMAALVEKPADYAG 17 | >202 18 | MVDITGNGMAATAPTDERIVDKPLPQPQIRSGNVRAMPAARKLAQEHGIDLSTLTGSGPGGVIVKEDVERAITARAVPVSPLQRVNFYSAGYRLDGLLYTPRHLPAGERRPGVVLLVGYTYLKTMVMPDIAKVLNAAGYVALVFDYRGFGESEGPRGRLIPLEQVADARAALTFLAEQSMVDPDRLAVIGISLGGAHAITTAALDQRVRAVVALEPPGHGARWLRSLRRHWEWRQFLSRLAEDRRQRVLSGGSTMVDPLEIVLPDPESQAFLDQVAAEFPQMKVTLPLESAEALIEYVSEDLAGRIAPRPLLIIHSDADQLVPVAEAQAIAERAGSSAQLEIIPGMSHFNWVMPGSPGFTRVTDSIVKFLRNTLPVSADN 19 | >204 20 | MVPSAGVGLSGVLHLPAGVSRPVLFLHGFTGNKTESGRLYTDMARVLCSAGYAALRFDFRGHGDSPLPFEEFRISLAVEDARNAAGFLKNVPEVDGTRFGVVGLSMGGGVAVSLAAGREDVGALVLLSPALDWPELFQRARGFFRAEEGYVYWGPHRMRDVYAMETMNFSVMGLAEEIQAPTLIIHSVDDMVVPISQAKRFYEKLKVEKKFIEIEHGGHVFDDYNVRRRIEQEVLDWVKRHL 21 | >211 22 | MLIRPVTFRNMNQQIIGILHTPDNIRLNEKVPGILMFHGFTGNKTEAHRLFVHVARSLSEHGFIVLRFDFRGSGDSDGEFEDMTLPGEVSDAERALTFLLRQRNVDKNRIGVIGLSMGGRVAAILASKDRRVKFAVLYSPALGPLRDRSLSFMSKEKIERLNSGEAVEFFAEGWYIKKAFFETVDYIVPLDIMDSIKVPVLIVHGDKDPLIPVGEAIRAYEKIKGVNEKNELYIVRGGDHTFSKKEHTLEVIKKTLDWIRSLGI 23 | >214 24 | MARAAPISPLQRVNFYSAGYRLDGLLYTPRHLPAGERRPGVVLLVGYTYLKTMVMPDIAKVLNAAGYVALVFDYRGFGESEGPRGRLIPLEQVADARAALTFLAEQSMVDPDRLAVIGISLGGAHAITTAALDQRVRAVVAIEPPGHGAHWLRSLRRHWEWSQFLSRLTEDRRQRVLSGVSSTVDPLEIVLPDPESQAFLDQVAAEFPQMKVTLPLESAEALIEYVPEDLAGRIAPRPLL 25 | >301 26 | MQPYPVGTRTITYQDPVRNNRNIQTYLYYPATAAGANQPVAGGQFPVVVVGHGFTMNYAPYAFWGNALAESGYIVAIPNTETGFSPSHSAFAADMAFLVAKLYTENTNSSSPFYQHVQYNSCIIGHSMGGGCTYLAAQNNADVSATVTFAAAETNPSATAAAANVNCPSLVFSGSADCITPPAQHQVPMYNALPDCKAYGGSSRVDLQACK 27 | >305 28 | MQVIQQTVTLQKTQLRLTKEGFVTNYRFPVDFYYPDSPESFPVILISHGFGSVRENFRTLAQHLASHGFLVAVPQHIGSDLQYRQELIKGTLSSALSPVEFLARPTDLSTIIDYLQATQNTGSWQKRANLQQIGVIGDSLGGTTALTIGGAPLDIPRLQTKCTSDNVIVNVALILQCQASFLPPSEYNLADSRVKAVIATHPLISGIFSPDSLAKIQIPVMITAGNFDIITP 29 | >307 30 | MQTVTSMLKDLDAVITQVSEKFPQIDNKRVCLIGHSQGAYVSFLHATKDERIKCLVSWMGRLSDLKEFWSKLWFDEIERKGYIYEWDYKITKKYVRDSLKYNLSKAAWRIKVPTLLIYGELDDIVPPSEGMKFYRNIKSPKKIVIVKDLNHTFSGEKAKKSVIRITLKWLSKWLKRLD 31 | >401 32 | MANPPGGDPDPGCQTDCNYQRGPDPTDAYLEAASGPYTVSTIRVSSLVPGFGGGTIHYPTNAGGGKMAGIVVIPGYLSFESSIEWWGPRLASHGFVVMTIDTNTIYDQPSQRRDQIEAALQYLVNQSNSSSSPISGMVDSSRLAAVGWSMGGGGTLQLAADGGIKAAIALAPWNSSINDFNRIQVPTLIFACQLDAIAPVALHASPFYNRIPNTTPKAFFEMTGGDHWCANGGNIYSALLGKYGVSWMKLHLDQDTRYAPFLCGPNHAAQTLISEYRGNCPY 33 | >403 34 | MTTPTPTPEPEPEPPGGCGDCYQRGPDPTVAALEADRGPYSVRTINVSSWVSGFGGGTIHYPVGTQGTMGAIAVIPGYVSYENSIEWWGGRLASWGFVVITIDTNSIYDQPDSRANQLSAALDYVIAQSNSSRSAIQGMVDPNRLGAIGWSMGGGGTLKLSTDRYLKAAIPQAPWYSGFNPFDEITTPTLIIACQLDAVAPVAQHASPFYNEIPNSTAKAFLEIRNGDHFCANSGYPDEDILGKYGVAWMKRFIDDDRRYDAFLCGPNHEAEWDISEYRDTCNY 35 | >405 36 | MQADTDTTAVAPAAANPYERGPAPTEASVTAARGPFAIAQVNVPSGSGAGFNDGTIYYPTDTSQGTFGAVAVIPGFISPQAVIQWFGPRLASQGFVVFTLDSNGLADLPDARGRQLLAALDYLTTQSTVRTRIDPNRLAVMGHSMGGGGTLLAAENRPTLKAAIPLAPWEPDTSWEGVKVPTMIIGGESDVVAPVSSMAIPDYNSLSSAPEKAYLELRSGDHLAPASESPTVAEYALSWLKRFVDDDTRYDQFLCPGPTPDTDISQYLDTCPNGS 37 | >406 38 | MRFRVAASLPAEYLAVDNVVLEGTAQPPAPGGSGYQKGPEPTAALLEAGTGPFATASVTLSRSAASGFGGGTIHYPQGVAGPFAAVAVVPGYLAAESTIAWWGPRLASHGFVVITMATNNTLDLPASRSAQLTAALNQLKTLSATPGHAVFGLVDPNRLGVVGWSYGGGGTLLNAQANPQLKAAMALAPKTLLQGDFTGTTVPTLVVGCQADTTAAPAFWAIPFYNKVSASTGKAYLEVRGGSHFCVTSSTSDADKKALGKYGVAWLKRFMDEDTRYAPFLCGAPRQADVAGNAAISDYRDNCPY 39 | >407 40 | MADNPYQRGPDPTRDSVAASRGTFATASTTVGSGNGFGAGFIYYPTDTSQGTFGAVAIVPGYTATWAAEGAWMGHWLASFGFVVIGIDTINRNDWDTARGTQLLAALDYLTQRSTVRDRVDASRLAVMGHSMGGGGAMYAALQRPSLKAAVGLAPFSPSQNLNGMRVPTMLLAGQHDTTTTPASITSLYNGIPAATEKAYLELSGAGHGFPTSNNSVMMRKVIPWLKIFVDSDVRYTQFLCPLMDNTGIRSYQSTCPLLPGTPTPPNRYEAETSPAVCTGTIASNHTGYSGTGFCDGNNATNAYAQFTVNASAAGSMTLRVRFANGTTTARPASLIVNGSTVQTPSFEGTGAWTTWATKTLTVTLNAGNNTIRFNPTTANGLPNLDYIEIAAP 41 | >409 42 | MGDCPATAICRSESPGAYSGNGPYGSRSYTLSRFQTPGGATVYYPANAEPPYAGMVFTPPYTGTQAMFAAWGPFFASHGFVLVTMDTSTTLDSVDQRAAQQKEVLNALKSENTRSGSPLRGKLDTARLGAVGWSMGGGATWINSAEYSGLKTAMSLAGHNLTAVDIDSKGYNTRVPTLLFNGAQDLTYLGGLGQSDGVYNNIPAGIPKVFYEVSSAGHFDWGSPTAANRSVASLALAFHKAYLDGDTRWLQYITRPSSDVTTWRTANIR 43 | >410 44 | MSQVPPTDPQDAPLGECPATALCRSEAPGSYSGNGPYGYRSYSLSRLQTPGGATVYYPANAEPPYSGLVFTPPYTGVQFMYAAWGPFFASHGIVLVTMDTTTTLDTVDQRARQQKTVLDVLKGENNRAASPLRGKLDTSRIGAVGWSMGGGATWINAAEYAGLKTAMSLAGHNLSAIDPNARGYNTRVPTLLFNGALDATYLGGLGQSDGVYNAIPAGIPKVFYEVASAGHFDWGSPTAANRDVAGIALAFHKAFLDGDTRWVDYIRRPSRDVATWRTAYLPD 45 | >412 46 | MSQVPPTPPTDDPMGDCPSTAICRGEAPGSYSGNGPYGSRSYTLSRFQTPGGATVYYPSNAEPPYSGLVFTPPYTGTQAMFRAWGPFFASHGIVLVTMDTSTTVDTVDQRASQQKRVLDVLKQENTRSGSPLRGKLDTSRLGAVGWSMGGGATWINSAEYNGLKTAMSLAGHNMTAIDLDSKGGNTRVPTLLFNGALDLTMLGGLGQSIGVYNAIPRGIPKVIYEVASAGHFDWGSPTAANRSVAGIALAFHKTFLDGDTRWVSYIKRPSSDVATWRTENLPQ 47 | >501 48 | MSNPYQRGPNPTRSALTADGPFSVATYTVSRLSVSGFGGGVIYYPTGTSLTFGGIAMSPGYTADASSLAWLGRRLASHGFVVLVINTNSRFDYPDSRASQLSAALNYLRTSSPSAVRARLDANRLAVAGHSMGGGGTLRIAEQNPSLKAAVPLTPWHTDKTFNTSVPVLIVGAEADTVAPVSQHAIPFYQNLPSTTPKVYVELDNASHFAPNSNNAAISVYTISWMKLWVDNDTRYRQFLCNVNDPALSDFRTNNRHCQ 49 | >503 50 | MESPYERGPDPTSASVLDNGTFSLSSTSVSSLVTGFGGGTIYYPTSTTQGTFGGVVLAPGYTASSSSYSSVARRVASHGFVVFAIDTNSRYDQPDSRGSQILAAVSYLKNSASSTVASRLDETRIAVSGHSMGGGGTLAAANQDSSIKAAVALQPWHTDKTWPGIQIPTMIIGAENDSVAPVASHSIPFYTSMTGAREKAYGEINNGDHFIANTDDDWQGRLFVTWLKRYVDDDTRYSQFLCPAPSSIYLSDYRNTCPD 51 | >504 52 | MQAQYQKGPDPTASALERNGPFAIRSTSVSRTSVSGFGGGRLYYPTASGTYGAIAVSPGFTGTSSTMTFWGERLASHGFVVLVIDTITLYDQPDSRARQLKAALDYLATQNGRSSSPIYRKVDTSRRAVAGHSMGGGGSLLAARDNPSYKAAIPMAPWNTSSTAFRTVSVPTMIFGCQDDSIAPVFSHAIPFYNAIPNSTRKNYVEIRNDDHFCVMNGGGHDATLGKLGISWMKRFVDNDTRYSPFVCGAEYNRVVSSYEVSRSYNNCPY 53 | >601 54 | MAANPYQRGPDPTESLLRAARGPFAVSEQSVSRLSVSGFGGGRIYYPTTTSQGTFGAIAISPGFTASWSSLAWLGPRLASHGFVVIGIETNTRLDQPDSRGRQLLAALDYLTQRSSVRNRVDASRLAVAGHSMGGGGTLEAAKSRTSLKAAIPIAPWNLDKTWPEVRTPTLIIGGELDSIAPVATHSIPFYNSLTNAREKAYLELNNASHFFPQFSNDTMAKFMISWMKRFIDDDTRYDQFLCPPPRAIGDISDYRDTCPHT 55 | >602 56 | MAANPYQRGPNPTEASITAARGPFNTAEITVSRLSVSGFGGGKIYYPTTTSEGTFGAIAISPGFTAYWSSLEWLGHRLASQGFVVIGIETNTTLDQPDQRGQQLLAALDYLTQRSAVRDRVDASRLAVAGHSMGGGGSLEAAKARTSLKAAIPLAPWNLDKTWPEVRTPTLIIGGELDAVAPVATHSIPFYNSLSNAPEKAYLELDNASHFFPNITNTQMAKYMIAWMKRFIDDDTRYTQFLCPPPSTGLLSDFSDARFTCPM 57 | >606 58 | MSNPYERGPAPTESSVTAVRGYFDTDTDTVSSLVSGFGGGTIYYPTDTSEGTFGGVVIAPGYTASQSSMAWMGHRIASQGFVVFTIDTITRYDQPDSRGRQIEAALDYLVEDSDVADRVDGNRLAVMGHSMGGGGTLAAAENRPELRAAIPLTPWHLQKNWSDVEVPTMIIGAENDTVASVRTHSIPFYESLDEDLERAYLELDGASHFAPNISNTVIAKYSISWLKRFVDEDERYEQFLCPPPDTGLFSDFSDYRDSCPHTT 59 | >611 60 | MAEPADVHGPDPTEESITAPRGPFEVDEESVSRLSVSGFGGGTIYYPTDTTDGLFSAVSISPGFTGTQETMAWYGPRLASQGFVVFTIDTITTTDQPDSRARQLQASLDYLVNDSDVKDIIDPARLGVMGHSMGGGGSLKAALDNPALKAAIPLTPWHTTKDFSGVQTPTLIIGAQNDTVAPVSQHAKPFYESLPDDPGKAYLELAGASHLAPNTDNTTIAKFSIAWLKRFLDDDTRYDQFLCPPPENDDSISDYQSTCPY 61 | >701 62 | MANPYERGPNPTDALLEARSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGKRIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGSLRLASQRPDLKAAIPLTPWHLNKNWSSVRVPTLIIGADLDTIAPVLTHARPFYNSLPTSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF 63 | >702 64 | MAANPYERGPNPTDALLEARSGPFSVSEENVSRLSASGFGGGTIYYPRESNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKWFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF 65 | >703 66 | MANPYERGPNPTDALLEARSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGSLRLASQRPDLKAAIPLTPWHLNKNWSSVRVPTLIIGADLDTIAPVLTHARPFYNSLPTSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF 67 | >704 68 | MANPYERGPNPTDALLEARSGPFSVSEENVSRLGASGFGGGTIYYPRENNTYGAVAISPGYTGTQASVAWLGKRIASHGFVVITIDTITTLDQPDSRARQLNAALDYMINDASSAVRSRIDSSRLAVMGHSMGGGGSLRLASQRPDLKAAIPLTPWHLNKNWSSVRVPTLIIGADLDTIAPVLTHARPFYNSLPTSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF 69 | >705 70 | MANPYERGPNPTDALLEARSGPFSVSEERASRFGADGFGGGTIYYPRENNTYGAVAISPGYTGTQASVAWLGERIASHGFVVITIDTNTTLDQPDSRARQLNAALDYMINDASSAVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVRVPTLIIGADLDTIAPVLTHARPFYNSLPTSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF 71 | >706 72 | MANPYERGPNPTDALLEARSGPFSVSEERASRFGADGFGGGTIYYPRENNTYGAVAISPGYTGTQASVAWLGKRIASHGFVVITIDTNTTLDQPDSRARQLNAALDYMINDASSAVRSRIDSSRLAVMGHSMGGGGSLRLASQRPDLKAAIPLTPWHLNKNWSSVRVPTLIIGADLDTIAPVLTHARPFYNSLPTSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF 73 | >707 74 | MANPYERGPNPTDALLEASSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGGRIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTPRLASQRPDLKAAIPLTPWHLNKNRSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYCSTCPF 75 | >708 76 | MANPYERGPNPTESMLEARSGPFSVSEERASRLGADGFGGGTIYYPRENNTYGAIAISPGYTGTQSSIAWLGERIASHGFVVIAIDTNTTLDQPDSRARQLNAALDYMLTDASSSVRNRIDASRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKSWRDITVPTLIIGADLDTIAPVSSHSEPFYNSIPSSTDKAYLELNNATHFAPNITNKTIGMYSVAWLKRFVDEDTRYTQFLCPGPRTGLLSDVDEYRSTCPF 77 | >711 78 | MANPYERGPDPTQASLEASRGPFPVSEERVSSPVSGFGGGTIYYPQENNTYGAVAISPGYTATQSSVAWLGERIASHGFVVITIDTNTTLDQPDSRADQLEAALDHMVDGASSTVRSRIDRNRLAVMGHSMGGGGTLRLASRRPDLKAAIPLTPWHLNKSWSNVQVPTLIIGAENDTVAPVALHAEPSYTSIPTSTRKAYLELNGASHFAPSVANATIGMYGVAWLKRFVDEDTRYTRFLCPGPRTGLFSDVEEYRSTCPF 79 | >714 80 | MANPYERGPNPTDALLEARSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGSLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPFY 81 | >715 82 | MANPYERGPNPTDALLEASSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF 83 | >716 84 | MANPYERGPNPTDALLEARSGPFSVSEENVSRFGADGFGGGTIYYPRENNTYGAVAISPGYTGTQASVAWLGERIASHGFVVITIDTNTTLDQPDSRARQLNAALDYMINDASSAVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVRVPTLIIGADLDTIAPVLTHARPFYNSLPTSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPFALE 85 | >717 86 | MANPYERGPNPTESMLEARSGPFSVSEERASRFGADGFGGGTIYYPRENNTYGAIAISPGYTGTQSSIAWLGERIASHGFVVIAIDTNTTLDQPDSRARQLNAALDYMLTDASSAVRNRIDASRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKSWRDITVPTLIIGAEYDTIASVTLHSKPFYNSIPSPTDKAYLELDGASHFAPNITNKTIGMYSVAWLKRFVDEDTRYTQFLCPGPRTGLLSDVEEYRSTCPF 87 | >401-nSP 88 | MPITARNTLASLLLASSALLLSGTAFAANPPGGDPDPGCQTDCNYQRGPDPTDAYLEAASGPYTVSTIRVSSLVPGFGGGTIHYPTNAGGGKMAGIVVIPGYLSFESSIEWWGPRLASHGFVVMTIDTNTIYDQPSQRRDQIEAALQYLVNQSNSSSSPISGMVDSSRLAAVGWSMGGGGTLQLAADGGIKAAIALAPWNSSINDFNRIQVPTLIFACQLDAIAPVALHASPFYNRIPNTTPKAFFEMTGGDHWCANGGNIYSALLGKYGVSWMKLHLDQDTRYAPFLCGPNHAAQTLISEYRGNCPY 89 | >403-nSP 90 | MNTELRIKKDLRNPLTFLLAAVFSLQVFATTPTPTPEPEPEPPGGCGDCYQRGPDPTVAALEADRGPYSVRTINVSSWVSGFGGGTIHYPVGTQGTMGAIAVIPGYVSYENSIEWWGGRLASWGFVVITIDTNSIYDQPDSRANQLSAALDYVIAQSNSSRSAIQGMVDPNRLGAIGWSMGGGGTLKLSTDRYLKAAIPQAPWYSGFNPFDEITTPTLIIACQLDAVAPVAQHASPFYNEIPNSTAKAFLEIRNGDHFCANSGYPDEDILGKYGVAWMKRFIDDDRRYDAFLCGPNHEAEWDISEYRDTCNY 91 | >607-nSP 92 | MQDHMRTGAAHHASTGSPHRRSGQLARLATAVAAVVGLTTLSGPGAQAADNPYERGPAPTTASIEAARGPYAVSQTTVSSLAVTGFGGGTIYYPTSTGDGTFGAIAVSPGYTATQSSIAWLGPRLASQGFVVFTIDTLTTLDQPDSRGRQLLAALDHLTQVSSVRTRVDGSRLGVMGHSMGGGGSLEAAKARPSLQAAIPLTPWNLDKSWPEVGTPTLIVGADGDTVAPVASHAEPFYSSLPSSLDRAYLELNNATHFTPNSSNTTIAKYGISWLKRFVDNDTRYEQFLCPLPQPSTTIDEYRGNCPHTS 93 | >CaPETase 94 | MLSFLRSTGRPERRRASLPALLLFTAALVASGLTAAPAAQAADNPYQRGPDPTNASIEAATGPFAVGTQPIVGASGFGGGQIYYPTDTSQTYGAVVIVPGFISVWAQLNWLGPRLASQGFVVIGIETSVITDLPDPRGDQALAALDWATTRSPVASRIDRTRLAAAGWSMGGGGLRRAALQRPSLKAIVGMAPWNGERNWSAVTVPTLFFGGSSDAVASPNDHAKPFYNSITRAEKDYIELRNADHFFPTSANTTMAKYFISWLKRWVDNDTRYTQFLCPGPSTGLFAPVSASMNTCPF 95 | -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- 1 | Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 2 | International 3 | 4 | Creative Commons Corporation ("Creative Commons") is not a law firm and 5 | does not provide legal 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For the avoidance of doubt, this paragraph does not 348 | form part of the public licenses. 349 | 350 | Creative Commons may be contacted at creativecommons.org. 351 | -------------------------------------------------------------------------------- /Step1 Start Points/5xfy_clean.pdb: -------------------------------------------------------------------------------- 1 | CRYST1 114.185 50.331 40.979 90.00 92.24 90.00 C 1 2 1 1 2 | ATOM 1 N ASN A 1 7.608 28.442 0.961 1.00 24.65 N 3 | ATOM 2 CA ASN A 1 8.500 27.814 1.910 1.00 21.88 C 4 | ATOM 3 C ASN A 1 9.894 27.861 1.352 1.00 17.81 C 5 | ATOM 4 O ASN A 1 10.208 27.189 0.440 1.00 19.79 O 6 | ATOM 5 CB ASN A 1 8.063 26.360 2.115 1.00 19.48 C 7 | ATOM 6 CG ASN A 1 8.892 25.616 3.161 1.00 18.73 C 8 | ATOM 7 ND2 ASN A 1 9.828 26.243 3.711 1.00 15.06 N 9 | ATOM 8 OD1 ASN A 1 8.613 24.488 3.451 1.00 21.47 O 10 | ATOM 9 N PRO A 2 10.784 28.616 1.993 1.00 19.64 N 11 | ATOM 10 CA PRO A 2 12.143 28.702 1.474 1.00 20.64 C 12 | ATOM 11 C PRO A 2 12.990 27.440 1.585 1.00 19.93 C 13 | ATOM 12 O PRO A 2 13.976 27.363 0.953 1.00 20.09 O 14 | ATOM 13 CB PRO A 2 12.774 29.794 2.317 1.00 22.26 C 15 | ATOM 14 CG PRO A 2 12.034 29.755 3.575 1.00 24.00 C 16 | ATOM 15 CD PRO A 2 10.625 29.380 3.227 1.00 21.07 C 17 | ATOM 16 N TYR A 3 12.531 26.473 2.364 1.00 17.34 N 18 | ATOM 17 CA TYR A 3 13.258 25.235 2.602 1.00 16.36 C 19 | ATOM 18 C TYR A 3 12.779 24.079 1.736 1.00 16.50 C 20 | ATOM 19 O TYR A 3 13.344 23.043 1.726 1.00 16.02 O 21 | ATOM 20 CB TYR A 3 13.154 24.831 4.059 1.00 16.60 C 22 | ATOM 21 CG TYR A 3 13.514 25.885 5.055 1.00 16.53 C 23 | ATOM 22 CD1 TYR A 3 14.581 26.718 4.876 1.00 17.44 C 24 | ATOM 23 CD2 TYR A 3 12.807 25.996 6.188 1.00 18.65 C 25 | ATOM 24 CE1 TYR A 3 14.904 27.669 5.803 1.00 16.70 C 26 | ATOM 25 CE2 TYR A 3 13.124 26.939 7.126 1.00 19.16 C 27 | ATOM 26 CZ TYR A 3 14.170 27.772 6.919 1.00 18.57 C 28 | ATOM 27 OH TYR A 3 14.482 28.686 7.869 1.00 23.65 O 29 | ATOM 28 N ALA A 4 11.699 24.278 1.020 1.00 16.51 N 30 | ATOM 29 CA ALA A 4 11.191 23.215 0.192 1.00 14.91 C 31 | ATOM 30 C ALA A 4 12.105 22.913 -0.984 1.00 16.20 C 32 | ATOM 31 O ALA A 4 12.516 23.781 -1.674 1.00 17.93 O 33 | ATOM 32 CB ALA A 4 9.802 23.552 -0.311 1.00 16.65 C 34 | ATOM 33 N ARG A 5 12.357 21.642 -1.186 1.00 14.59 N 35 | ATOM 34 CA ARG A 5 13.190 21.139 -2.249 1.00 15.00 C 36 | ATOM 35 C ARG A 5 12.520 19.974 -2.920 1.00 15.95 C 37 | ATOM 36 O ARG A 5 11.863 19.205 -2.322 1.00 16.80 O 38 | ATOM 37 CB ARG A 5 14.577 20.664 -1.724 1.00 14.50 C 39 | ATOM 38 CG ARG A 5 15.297 21.641 -0.799 1.00 15.97 C 40 | ATOM 39 CD ARG A 5 16.063 22.744 -1.520 1.00 16.80 C 41 | ATOM 40 NE ARG A 5 16.611 23.678 -0.558 1.00 16.66 N 42 | ATOM 41 CZ ARG A 5 16.046 24.807 -0.227 1.00 17.30 C 43 | ATOM 42 NH1 ARG A 5 14.925 25.198 -0.790 1.00 18.18 N1+ 44 | ATOM 43 NH2 ARG A 5 16.585 25.558 0.680 1.00 16.89 N 45 | ATOM 44 N GLY A 6 12.726 19.872 -4.212 1.00 15.66 N 46 | ATOM 45 CA GLY A 6 12.199 18.795 -5.005 1.00 15.79 C 47 | ATOM 46 C GLY A 6 10.726 18.921 -5.360 1.00 15.18 C 48 | ATOM 47 O GLY A 6 10.080 19.758 -4.907 1.00 16.58 O 49 | ATOM 48 N PRO A 7 10.236 17.984 -6.137 1.00 17.67 N 50 | ATOM 49 CA PRO A 7 8.851 17.958 -6.583 1.00 18.09 C 51 | ATOM 50 C PRO A 7 7.911 17.357 -5.553 1.00 18.25 C 52 | ATOM 51 O PRO A 7 8.311 16.813 -4.586 1.00 17.40 O 53 | ATOM 52 CB PRO A 7 8.922 17.112 -7.846 1.00 24.31 C 54 | ATOM 53 CG PRO A 7 9.986 16.153 -7.551 1.00 26.00 C 55 | ATOM 54 CD PRO A 7 11.023 16.942 -6.794 1.00 20.90 C 56 | ATOM 55 N ASN A 8 6.636 17.522 -5.794 1.00 15.63 N 57 | ATOM 56 CA ASN A 8 5.634 16.988 -4.888 1.00 15.70 C 58 | ATOM 57 C ASN A 8 5.832 15.469 -4.862 1.00 14.92 C 59 | ATOM 58 O ASN A 8 5.900 14.858 -5.873 1.00 16.83 O 60 | ATOM 59 CB ASN A 8 4.235 17.383 -5.385 1.00 15.93 C 61 | ATOM 60 CG ASN A 8 3.148 17.158 -4.359 1.00 16.56 C 62 | ATOM 61 ND2 ASN A 8 2.005 16.715 -4.822 1.00 16.46 N 63 | ATOM 62 OD1 ASN A 8 3.321 17.384 -3.222 1.00 17.61 O 64 | ATOM 63 N PRO A 9 5.903 14.896 -3.668 1.00 15.12 N 65 | ATOM 64 CA PRO A 9 6.146 13.466 -3.558 1.00 15.25 C 66 | ATOM 65 C PRO A 9 4.902 12.633 -3.790 1.00 16.46 C 67 | ATOM 66 O PRO A 9 3.817 13.123 -3.711 1.00 17.02 O 68 | ATOM 67 CB PRO A 9 6.555 13.330 -2.067 1.00 16.33 C 69 | ATOM 68 CG PRO A 9 5.798 14.407 -1.381 1.00 16.90 C 70 | ATOM 69 CD PRO A 9 5.912 15.552 -2.345 1.00 15.28 C 71 | ATOM 70 N THR A 10 5.122 11.374 -4.076 1.00 15.00 N 72 | ATOM 71 CA THR A 10 4.082 10.367 -4.114 1.00 15.04 C 73 | ATOM 72 C THR A 10 4.563 9.183 -3.262 1.00 15.24 C 74 | ATOM 73 O THR A 10 5.702 9.060 -2.966 1.00 15.32 O 75 | ATOM 74 CB THR A 10 3.755 9.835 -5.524 1.00 14.57 C 76 | ATOM 75 CG2 THR A 10 3.291 10.970 -6.451 1.00 16.03 C 77 | ATOM 76 OG1 THR A 10 4.903 9.222 -6.057 1.00 16.77 O 78 | ATOM 77 N ALA A 11 3.648 8.310 -2.899 1.00 15.20 N 79 | ATOM 78 CA ALA A 11 4.024 7.119 -2.147 1.00 15.58 C 80 | ATOM 79 C ALA A 11 5.080 6.307 -2.902 1.00 17.52 C 81 | ATOM 80 O ALA A 11 6.043 5.936 -2.357 1.00 16.83 O 82 | ATOM 81 CB ALA A 11 2.807 6.278 -1.837 1.00 17.85 C 83 | ATOM 82 N ALA A 12 4.892 6.101 -4.195 1.00 16.65 N 84 | ATOM 83 CA ALA A 12 5.865 5.361 -4.971 1.00 14.84 C 85 | ATOM 84 C ALA A 12 7.223 6.024 -5.051 1.00 16.04 C 86 | ATOM 85 O ALA A 12 8.220 5.373 -4.950 1.00 17.42 O 87 | ATOM 86 CB ALA A 12 5.338 5.076 -6.373 1.00 19.16 C 88 | ATOM 87 N SER A 13 7.254 7.334 -5.169 1.00 14.73 N 89 | ATOM 88 CA SER A 13 8.532 8.029 -5.206 1.00 15.80 C 90 | ATOM 89 C SER A 13 9.243 7.924 -3.860 1.00 14.16 C 91 | ATOM 90 O SER A 13 10.402 7.832 -3.825 1.00 17.65 O 92 | ATOM 91 CB SER A 13 8.404 9.479 -5.688 1.00 16.61 C 93 | ATOM 92 OG SER A 13 7.943 10.319 -4.687 1.00 18.21 O 94 | ATOM 93 N LEU A 14 8.484 7.887 -2.778 1.00 13.91 N 95 | ATOM 94 CA LEU A 14 9.079 7.754 -1.466 1.00 13.15 C 96 | ATOM 95 C LEU A 14 9.477 6.305 -1.108 1.00 13.68 C 97 | ATOM 96 O LEU A 14 10.267 6.104 -0.287 1.00 14.03 O 98 | ATOM 97 CB LEU A 14 8.123 8.308 -0.399 1.00 14.28 C 99 | ATOM 98 CG LEU A 14 8.007 9.835 -0.403 1.00 13.99 C 100 | ATOM 99 CD1 LEU A 14 6.922 10.293 0.541 1.00 15.52 C 101 | ATOM 100 CD2 LEU A 14 9.326 10.403 0.036 1.00 27.10 C 102 | ATOM 101 N GLU A 15 8.882 5.337 -1.776 1.00 13.41 N 103 | ATOM 102 CA GLU A 15 9.152 3.923 -1.546 1.00 15.04 C 104 | ATOM 103 C GLU A 15 10.298 3.386 -2.396 1.00 14.08 C 105 | ATOM 104 O GLU A 15 10.773 2.344 -2.148 1.00 15.58 O 106 | ATOM 105 CB GLU A 15 7.896 3.115 -1.837 1.00 15.24 C 107 | ATOM 106 CG GLU A 15 6.797 3.364 -0.819 1.00 16.80 C 108 | ATOM 107 CD GLU A 15 5.459 2.761 -1.197 1.00 22.96 C 109 | ATOM 108 OE1 GLU A 15 5.407 1.987 -2.124 1.00 30.93 O 110 | ATOM 109 OE2 GLU A 15 4.481 3.065 -0.561 1.00 20.53 O1- 111 | ATOM 110 N ALA A 16 10.728 4.161 -3.374 1.00 15.25 N 112 | ATOM 111 CA ALA A 16 11.799 3.759 -4.247 1.00 15.35 C 113 | ATOM 112 C ALA A 16 13.099 3.803 -3.530 1.00 15.92 C 114 | ATOM 113 O ALA A 16 13.265 4.440 -2.533 1.00 16.70 O 115 | ATOM 114 CB ALA A 16 11.864 4.650 -5.481 1.00 16.48 C 116 | ATOM 115 N SER A 17 14.059 3.075 -4.084 1.00 16.32 N 117 | ATOM 116 CA ASER A 17 15.469 3.198 -3.561 0.50 18.29 C 118 | ATOM 117 CA BSER A 17 15.447 3.181 -3.524 0.50 16.49 C 119 | ATOM 118 C SER A 17 16.216 4.578 -3.460 1.00 16.50 C 120 | ATOM 119 O SER A 17 17.125 4.721 -2.692 1.00 16.79 O 121 | ATOM 120 CB ASER A 17 16.381 2.238 -4.314 0.50 21.16 C 122 | ATOM 121 CB BSER A 17 16.326 2.120 -4.177 0.50 16.89 C 123 | ATOM 122 OG ASER A 17 16.133 0.945 -3.914 0.50 27.64 O 124 | ATOM 123 OG BSER A 17 16.813 2.646 -5.372 0.50 17.08 O 125 | ATOM 124 N ALA A 18 15.794 5.482 -4.308 1.00 16.53 N 126 | ATOM 125 CA ALA A 18 16.378 6.785 -4.306 1.00 16.32 C 127 | ATOM 126 C ALA A 18 15.402 7.812 -4.770 1.00 15.47 C 128 | ATOM 127 O ALA A 18 14.558 7.561 -5.576 1.00 17.02 O 129 | ATOM 128 CB ALA A 18 17.623 6.831 -5.162 1.00 20.37 C 130 | ATOM 129 N GLY A 19 15.602 9.004 -4.259 1.00 14.53 N 131 | ATOM 130 CA GLY A 19 14.853 10.183 -4.603 1.00 14.07 C 132 | ATOM 131 C GLY A 19 15.364 10.827 -5.888 1.00 13.13 C 133 | ATOM 132 O GLY A 19 16.142 10.266 -6.585 1.00 15.51 O 134 | ATOM 133 N PRO A 20 14.926 12.047 -6.123 1.00 13.63 N 135 | ATOM 134 CA PRO A 20 15.209 12.755 -7.366 1.00 14.85 C 136 | ATOM 135 C PRO A 20 16.584 13.414 -7.502 1.00 18.71 C 137 | ATOM 136 O PRO A 20 16.922 13.824 -8.571 1.00 20.84 O 138 | ATOM 137 CB PRO A 20 14.112 13.814 -7.378 1.00 17.28 C 139 | ATOM 138 CG PRO A 20 13.908 14.117 -5.937 1.00 19.00 C 140 | ATOM 139 CD PRO A 20 13.960 12.775 -5.298 1.00 14.73 C 141 | ATOM 140 N PHE A 21 17.370 13.480 -6.451 1.00 16.05 N 142 | ATOM 141 CA PHE A 21 18.654 14.130 -6.553 1.00 15.54 C 143 | ATOM 142 C PHE A 21 19.799 13.145 -6.643 1.00 15.92 C 144 | ATOM 143 O PHE A 21 19.761 12.136 -6.042 1.00 17.38 O 145 | ATOM 144 CB PHE A 21 18.895 15.024 -5.338 1.00 16.57 C 146 | ATOM 145 CG PHE A 21 17.917 16.120 -5.190 1.00 17.10 C 147 | ATOM 146 CD1 PHE A 21 17.904 17.177 -6.049 1.00 22.39 C 148 | ATOM 147 CD2 PHE A 21 16.985 16.086 -4.201 1.00 17.98 C 149 | ATOM 148 CE1 PHE A 21 16.996 18.191 -5.896 1.00 22.17 C 150 | ATOM 149 CE2 PHE A 21 16.086 17.088 -4.052 1.00 18.18 C 151 | ATOM 150 CZ PHE A 21 16.086 18.144 -4.901 1.00 18.40 C 152 | ATOM 151 N THR A 22 20.794 13.489 -7.438 1.00 17.04 N 153 | ATOM 152 CA THR A 22 22.010 12.727 -7.562 1.00 16.98 C 154 | ATOM 153 C THR A 22 22.795 12.856 -6.230 1.00 14.78 C 155 | ATOM 154 O THR A 22 22.819 13.888 -5.671 1.00 16.35 O 156 | ATOM 155 CB THR A 22 22.860 13.321 -8.697 1.00 19.53 C 157 | ATOM 156 CG2 THR A 22 24.208 12.675 -8.769 1.00 21.32 C 158 | ATOM 157 OG1 THR A 22 22.175 13.097 -9.915 1.00 21.64 O 159 | ATOM 158 N VAL A 23 23.380 11.767 -5.787 1.00 15.95 N 160 | ATOM 159 CA VAL A 23 24.138 11.717 -4.555 1.00 16.08 C 161 | ATOM 160 C VAL A 23 25.618 11.509 -4.830 1.00 17.09 C 162 | ATOM 161 O VAL A 23 25.987 10.725 -5.629 1.00 17.91 O 163 | ATOM 162 CB VAL A 23 23.638 10.570 -3.653 1.00 16.81 C 164 | ATOM 163 CG1 VAL A 23 24.471 10.401 -2.387 1.00 18.22 C 165 | ATOM 164 CG2 VAL A 23 22.191 10.758 -3.250 1.00 16.63 C 166 | ATOM 165 N ARG A 24 26.410 12.307 -4.152 1.00 16.02 N 167 | ATOM 166 CA ARG A 24 27.851 12.163 -4.134 1.00 15.97 C 168 | ATOM 167 C ARG A 24 28.247 11.896 -2.676 1.00 16.76 C 169 | ATOM 168 O ARG A 24 27.509 12.206 -1.775 1.00 15.05 O 170 | ATOM 169 CB ARG A 24 28.538 13.406 -4.652 1.00 19.62 C 171 | ATOM 170 CG ARG A 24 28.321 13.637 -6.126 1.00 26.32 C 172 | ATOM 171 CD ARG A 24 28.828 12.463 -6.914 1.00 37.08 C 173 | ATOM 172 NE ARG A 24 28.423 12.490 -8.331 1.00 53.49 N 174 | ATOM 173 CZ ARG A 24 27.789 11.507 -8.957 1.00 58.68 C 175 | ATOM 174 NH1 ARG A 24 27.501 10.371 -8.337 1.00 54.32 N1+ 176 | ATOM 175 NH2 ARG A 24 27.481 11.646 -10.232 1.00 49.18 N 177 | ATOM 176 N SER A 25 29.391 11.285 -2.472 1.00 17.19 N 178 | ATOM 177 CA SER A 25 29.843 10.990 -1.137 1.00 17.31 C 179 | ATOM 178 C SER A 25 31.362 11.062 -0.982 1.00 19.94 C 180 | ATOM 179 O SER A 25 32.079 11.006 -1.928 1.00 19.46 O 181 | ATOM 180 CB SER A 25 29.362 9.615 -0.721 1.00 18.32 C 182 | ATOM 181 OG SER A 25 29.995 8.615 -1.467 1.00 23.23 O 183 | ATOM 182 N PHE A 26 31.814 11.243 0.240 1.00 17.92 N 184 | ATOM 183 CA PHE A 26 33.239 11.227 0.549 1.00 16.69 C 185 | ATOM 184 C PHE A 26 33.464 10.772 1.978 1.00 18.24 C 186 | ATOM 185 O PHE A 26 32.605 10.884 2.786 1.00 16.52 O 187 | ATOM 186 CB PHE A 26 33.916 12.575 0.336 1.00 16.49 C 188 | ATOM 187 CG PHE A 26 33.363 13.689 1.165 1.00 18.08 C 189 | ATOM 188 CD1 PHE A 26 32.346 14.466 0.697 1.00 19.12 C 190 | ATOM 189 CD2 PHE A 26 33.901 13.994 2.381 1.00 19.47 C 191 | ATOM 190 CE1 PHE A 26 31.849 15.490 1.434 1.00 19.33 C 192 | ATOM 191 CE2 PHE A 26 33.391 15.026 3.126 1.00 18.31 C 193 | ATOM 192 CZ PHE A 26 32.363 15.768 2.642 1.00 18.75 C 194 | ATOM 193 N THR A 27 34.623 10.223 2.240 1.00 16.94 N 195 | ATOM 194 CA THR A 27 34.967 9.830 3.575 1.00 17.27 C 196 | ATOM 195 C THR A 27 35.667 10.988 4.247 1.00 17.77 C 197 | ATOM 196 O THR A 27 36.414 11.690 3.663 1.00 18.77 O 198 | ATOM 197 CB THR A 27 35.804 8.559 3.638 1.00 23.76 C 199 | ATOM 198 CG2 THR A 27 35.237 7.424 2.899 1.00 20.22 C 200 | ATOM 199 OG1 THR A 27 37.041 8.821 3.091 1.00 30.68 O 201 | ATOM 200 N VAL A 28 35.345 11.201 5.498 1.00 15.95 N 202 | ATOM 201 CA VAL A 28 35.930 12.276 6.237 1.00 16.45 C 203 | ATOM 202 C VAL A 28 37.404 11.970 6.536 1.00 18.86 C 204 | ATOM 203 O VAL A 28 37.714 11.018 7.123 1.00 18.54 O 205 | ATOM 204 CB VAL A 28 35.144 12.532 7.552 1.00 15.99 C 206 | ATOM 205 CG1 VAL A 28 35.801 13.612 8.364 1.00 18.38 C 207 | ATOM 206 CG2 VAL A 28 33.712 12.893 7.243 1.00 18.19 C 208 | ATOM 207 N SER A 29 38.289 12.849 6.091 1.00 20.96 N 209 | ATOM 208 CA SER A 29 39.728 12.641 6.282 1.00 21.96 C 210 | ATOM 209 C SER A 29 40.197 12.658 7.710 1.00 21.13 C 211 | ATOM 210 O SER A 29 40.931 11.809 8.101 1.00 24.56 O 212 | ATOM 211 CB SER A 29 40.541 13.698 5.530 1.00 27.23 C 213 | ATOM 212 OG SER A 29 40.250 13.636 4.191 1.00 33.88 O 214 | ATOM 213 N ARG A 30 39.766 13.670 8.428 1.00 21.91 N 215 | ATOM 214 CA ARG A 30 40.135 13.876 9.820 1.00 22.77 C 216 | ATOM 215 C ARG A 30 38.914 14.019 10.724 1.00 18.22 C 217 | ATOM 216 O ARG A 30 38.558 15.085 11.067 1.00 19.62 O 218 | ATOM 217 CB ARG A 30 40.949 15.149 9.954 1.00 27.29 C 219 | ATOM 218 CG ARG A 30 42.303 15.063 9.290 1.00 41.56 C 220 | ATOM 219 CD ARG A 30 43.309 16.021 9.943 1.00 57.63 C 221 | ATOM 220 NE ARG A 30 43.957 15.426 11.129 1.00 74.34 N 222 | ATOM 221 CZ ARG A 30 44.438 16.076 12.192 1.00 80.41 C 223 | ATOM 222 NH1 ARG A 30 44.979 15.353 13.158 1.00 84.04 N1+ 224 | ATOM 223 NH2 ARG A 30 44.361 17.405 12.348 1.00 74.77 N 225 | ATOM 224 N PRO A 31 38.316 12.897 11.087 1.00 17.14 N 226 | ATOM 225 CA PRO A 31 37.126 12.973 11.926 1.00 17.46 C 227 | ATOM 226 C PRO A 31 37.402 13.678 13.240 1.00 17.67 C 228 | ATOM 227 O PRO A 31 38.370 13.367 13.877 1.00 22.06 O 229 | ATOM 228 CB PRO A 31 36.727 11.524 12.145 1.00 19.79 C 230 | ATOM 229 CG PRO A 31 37.653 10.682 11.387 1.00 23.37 C 231 | ATOM 230 CD PRO A 31 38.638 11.530 10.671 1.00 19.18 C 232 | ATOM 231 N SER A 32 36.538 14.577 13.619 1.00 17.00 N 233 | ATOM 232 CA SER A 32 36.758 15.352 14.798 1.00 18.70 C 234 | ATOM 233 C SER A 32 35.823 14.934 15.905 1.00 15.83 C 235 | ATOM 234 O SER A 32 34.751 15.310 15.928 1.00 19.62 O 236 | ATOM 235 CB SER A 32 36.582 16.809 14.438 1.00 25.54 C 237 | ATOM 236 OG SER A 32 35.996 17.577 15.449 1.00 37.70 O 238 | ATOM 237 N GLY A 33 36.285 14.100 16.787 1.00 16.51 N 239 | ATOM 238 CA GLY A 33 35.452 13.703 17.904 1.00 18.07 C 240 | ATOM 239 C GLY A 33 34.675 12.412 17.759 1.00 18.42 C 241 | ATOM 240 O GLY A 33 33.862 12.138 18.566 1.00 21.01 O 242 | ATOM 241 N TYR A 34 34.902 11.705 16.696 1.00 14.22 N 243 | ATOM 242 CA TYR A 34 34.285 10.398 16.449 1.00 15.58 C 244 | ATOM 243 C TYR A 34 35.258 9.537 15.657 1.00 14.87 C 245 | ATOM 244 O TYR A 34 36.289 9.977 15.283 1.00 15.85 O 246 | ATOM 245 CB TYR A 34 32.883 10.538 15.797 1.00 13.58 C 247 | ATOM 246 CG TYR A 34 32.920 11.307 14.487 1.00 12.89 C 248 | ATOM 247 CD1 TYR A 34 32.914 12.655 14.458 1.00 13.99 C 249 | ATOM 248 CD2 TYR A 34 32.984 10.656 13.315 1.00 13.74 C 250 | ATOM 249 CE1 TYR A 34 32.998 13.342 13.281 1.00 14.05 C 251 | ATOM 250 CE2 TYR A 34 33.050 11.332 12.136 1.00 14.88 C 252 | ATOM 251 CZ TYR A 34 33.062 12.670 12.125 1.00 14.09 C 253 | ATOM 252 OH TYR A 34 33.168 13.326 10.946 1.00 15.86 O 254 | ATOM 253 N GLY A 35 34.921 8.296 15.433 1.00 14.99 N 255 | ATOM 254 CA GLY A 35 35.849 7.416 14.779 1.00 14.83 C 256 | ATOM 255 C GLY A 35 36.096 7.540 13.298 1.00 15.76 C 257 | ATOM 256 O GLY A 35 37.200 7.553 12.873 1.00 17.65 O 258 | ATOM 257 N ALA A 36 35.025 7.556 12.530 1.00 14.55 N 259 | ATOM 258 CA ALA A 36 35.094 7.648 11.080 1.00 14.87 C 260 | ATOM 259 C ALA A 36 33.764 8.128 10.580 1.00 14.35 C 261 | ATOM 260 O ALA A 36 32.797 8.023 11.249 1.00 13.88 O 262 | ATOM 261 CB ALA A 36 35.402 6.282 10.463 1.00 15.86 C 263 | ATOM 262 N GLY A 37 33.758 8.694 9.403 1.00 14.16 N 264 | ATOM 263 CA GLY A 37 32.513 9.141 8.823 1.00 14.43 C 265 | ATOM 264 C GLY A 37 32.479 9.182 7.313 1.00 14.94 C 266 | ATOM 265 O GLY A 37 33.479 9.308 6.687 1.00 14.74 O 267 | ATOM 266 N THR A 38 31.279 9.072 6.792 1.00 14.26 N 268 | ATOM 267 CA THR A 38 30.999 9.175 5.374 1.00 13.99 C 269 | ATOM 268 C THR A 38 29.915 10.208 5.228 1.00 14.26 C 270 | ATOM 269 O THR A 38 28.928 10.137 5.890 1.00 13.78 O 271 | ATOM 270 CB THR A 38 30.515 7.883 4.763 1.00 14.39 C 272 | ATOM 271 CG2 THR A 38 30.410 8.020 3.244 1.00 14.23 C 273 | ATOM 272 OG1 THR A 38 31.412 6.840 5.084 1.00 16.74 O 274 | ATOM 273 N VAL A 39 30.159 11.178 4.372 1.00 14.52 N 275 | ATOM 274 CA VAL A 39 29.219 12.242 4.087 1.00 14.00 C 276 | ATOM 275 C VAL A 39 28.583 12.014 2.706 1.00 14.90 C 277 | ATOM 276 O VAL A 39 29.254 11.804 1.753 1.00 15.82 O 278 | ATOM 277 CB VAL A 39 29.893 13.623 4.158 1.00 14.55 C 279 | ATOM 278 CG1 VAL A 39 28.930 14.717 3.736 1.00 15.36 C 280 | ATOM 279 CG2 VAL A 39 30.454 13.892 5.550 1.00 14.22 C 281 | ATOM 280 N TYR A 40 27.270 12.068 2.679 1.00 13.87 N 282 | ATOM 281 CA TYR A 40 26.453 11.921 1.479 1.00 13.21 C 283 | ATOM 282 C TYR A 40 25.763 13.251 1.242 1.00 13.33 C 284 | ATOM 283 O TYR A 40 25.236 13.817 2.130 1.00 14.52 O 285 | ATOM 284 CB TYR A 40 25.393 10.826 1.668 1.00 13.44 C 286 | ATOM 285 CG TYR A 40 25.955 9.463 1.928 1.00 13.20 C 287 | ATOM 286 CD1 TYR A 40 26.283 9.056 3.206 1.00 14.35 C 288 | ATOM 287 CD2 TYR A 40 26.217 8.596 0.893 1.00 15.34 C 289 | ATOM 288 CE1 TYR A 40 26.822 7.819 3.438 1.00 14.91 C 290 | ATOM 289 CE2 TYR A 40 26.769 7.368 1.135 1.00 16.20 C 291 | ATOM 290 CZ TYR A 40 27.080 6.992 2.393 1.00 16.52 C 292 | ATOM 291 OH TYR A 40 27.620 5.757 2.619 1.00 18.45 O 293 | ATOM 292 N TYR A 41 25.759 13.719 0.009 1.00 13.78 N 294 | ATOM 293 CA TYR A 41 25.133 14.963 -0.315 1.00 14.31 C 295 | ATOM 294 C TYR A 41 24.476 15.017 -1.715 1.00 15.66 C 296 | ATOM 295 O TYR A 41 24.881 14.380 -2.578 1.00 15.54 O 297 | ATOM 296 CB TYR A 41 26.130 16.108 -0.141 1.00 15.65 C 298 | ATOM 297 CG TYR A 41 27.313 16.128 -1.114 1.00 17.65 C 299 | ATOM 298 CD1 TYR A 41 28.464 15.448 -0.852 1.00 16.86 C 300 | ATOM 299 CD2 TYR A 41 27.262 16.883 -2.239 1.00 18.48 C 301 | ATOM 300 CE1 TYR A 41 29.521 15.490 -1.707 1.00 18.64 C 302 | ATOM 301 CE2 TYR A 41 28.315 16.935 -3.088 1.00 20.64 C 303 | ATOM 302 CZ TYR A 41 29.434 16.243 -2.810 1.00 20.24 C 304 | ATOM 303 OH TYR A 41 30.469 16.328 -3.698 1.00 25.36 O 305 | ATOM 304 N PRO A 42 23.446 15.829 -1.854 1.00 14.37 N 306 | ATOM 305 CA PRO A 42 22.783 15.950 -3.138 1.00 15.15 C 307 | ATOM 306 C PRO A 42 23.411 17.027 -4.007 1.00 19.05 C 308 | ATOM 307 O PRO A 42 23.846 17.985 -3.530 1.00 18.08 O 309 | ATOM 308 CB PRO A 42 21.395 16.401 -2.742 1.00 15.55 C 310 | ATOM 309 CG PRO A 42 21.616 17.248 -1.544 1.00 15.95 C 311 | ATOM 310 CD PRO A 42 22.741 16.597 -0.815 1.00 15.46 C 312 | ATOM 311 N THR A 43 23.448 16.775 -5.294 1.00 19.70 N 313 | ATOM 312 CA THR A 43 23.921 17.777 -6.234 1.00 21.06 C 314 | ATOM 313 C THR A 43 22.687 18.485 -6.821 1.00 21.45 C 315 | ATOM 314 O THR A 43 21.624 17.918 -6.908 1.00 23.52 O 316 | ATOM 315 CB THR A 43 24.787 17.179 -7.367 1.00 23.06 C 317 | ATOM 316 CG2 THR A 43 25.827 16.298 -6.831 1.00 23.48 C 318 | ATOM 317 OG1 THR A 43 23.977 16.402 -8.204 1.00 25.62 O 319 | ATOM 318 N ASN A 44 22.854 19.750 -7.151 1.00 24.60 N 320 | ATOM 319 CA ASN A 44 21.836 20.585 -7.748 1.00 25.04 C 321 | ATOM 320 C ASN A 44 20.533 20.522 -6.979 1.00 25.72 C 322 | ATOM 321 O ASN A 44 19.508 20.320 -7.544 1.00 24.46 O 323 | ATOM 322 CB ASN A 44 21.647 20.149 -9.195 1.00 28.44 C 324 | ATOM 323 CG ASN A 44 21.203 21.261 -10.088 1.00 38.38 C 325 | ATOM 324 ND2 ASN A 44 20.688 20.908 -11.222 1.00 44.65 N 326 | ATOM 325 OD1 ASN A 44 21.271 22.413 -9.731 1.00 49.10 O 327 | ATOM 326 N ALA A 45 20.623 20.760 -5.685 1.00 25.15 N 328 | ATOM 327 CA ALA A 45 19.503 20.675 -4.797 1.00 24.19 C 329 | ATOM 328 C ALA A 45 18.536 21.811 -4.896 1.00 25.42 C 330 | ATOM 329 O ALA A 45 17.425 21.685 -4.508 1.00 25.63 O 331 | ATOM 330 CB ALA A 45 19.969 20.564 -3.354 1.00 27.30 C 332 | ATOM 331 N GLY A 46 19.002 22.937 -5.366 1.00 24.91 N 333 | ATOM 332 CA GLY A 46 18.180 24.107 -5.501 1.00 24.27 C 334 | ATOM 333 C GLY A 46 18.178 24.989 -4.302 1.00 25.78 C 335 | ATOM 334 O GLY A 46 17.347 25.832 -4.171 1.00 29.17 O 336 | ATOM 335 N GLY A 47 19.123 24.774 -3.415 1.00 22.56 N 337 | ATOM 336 CA GLY A 47 19.253 25.589 -2.247 1.00 19.65 C 338 | ATOM 337 C GLY A 47 20.020 24.828 -1.178 1.00 17.06 C 339 | ATOM 338 O GLY A 47 20.339 23.708 -1.354 1.00 19.16 O 340 | ATOM 339 N THR A 48 20.269 25.491 -0.071 1.00 17.49 N 341 | ATOM 340 CA THR A 48 20.902 24.809 1.034 1.00 17.48 C 342 | ATOM 341 C THR A 48 19.927 23.775 1.621 1.00 15.72 C 343 | ATOM 342 O THR A 48 18.742 23.945 1.546 1.00 15.93 O 344 | ATOM 343 CB THR A 48 21.350 25.779 2.123 1.00 16.89 C 345 | ATOM 344 CG2 THR A 48 22.563 26.671 1.653 1.00 19.62 C 346 | ATOM 345 OG1 THR A 48 20.280 26.590 2.541 1.00 19.37 O 347 | ATOM 346 N VAL A 49 20.474 22.722 2.197 1.00 14.32 N 348 | ATOM 347 CA VAL A 49 19.664 21.671 2.775 1.00 13.40 C 349 | ATOM 348 C VAL A 49 20.082 21.378 4.219 1.00 13.33 C 350 | ATOM 349 O VAL A 49 21.123 21.745 4.641 1.00 13.51 O 351 | ATOM 350 CB VAL A 49 19.745 20.361 1.943 1.00 14.50 C 352 | ATOM 351 CG1 VAL A 49 19.183 20.554 0.535 1.00 15.20 C 353 | ATOM 352 CG2 VAL A 49 21.149 19.792 1.899 1.00 14.20 C 354 | ATOM 353 N GLY A 50 19.226 20.683 4.957 1.00 13.22 N 355 | ATOM 354 CA GLY A 50 19.509 20.283 6.324 1.00 12.99 C 356 | ATOM 355 C GLY A 50 20.500 19.130 6.386 1.00 12.13 C 357 | ATOM 356 O GLY A 50 20.754 18.493 5.424 1.00 12.79 O 358 | ATOM 357 N ALA A 51 21.031 18.916 7.576 1.00 11.37 N 359 | ATOM 358 CA ALA A 51 21.993 17.878 7.832 1.00 12.44 C 360 | ATOM 359 C ALA A 51 21.500 16.887 8.881 1.00 10.87 C 361 | ATOM 360 O ALA A 51 20.916 17.253 9.835 1.00 11.92 O 362 | ATOM 361 CB ALA A 51 23.309 18.498 8.290 1.00 13.31 C 363 | ATOM 362 N ILE A 52 21.812 15.624 8.655 1.00 11.35 N 364 | ATOM 363 CA ILE A 52 21.414 14.514 9.520 1.00 10.65 C 365 | ATOM 364 C ILE A 52 22.634 13.650 9.865 1.00 11.06 C 366 | ATOM 365 O ILE A 52 23.364 13.322 9.030 1.00 11.67 O 367 | ATOM 366 CB ILE A 52 20.329 13.630 8.827 1.00 11.29 C 368 | ATOM 367 CG1 ILE A 52 19.098 14.461 8.456 1.00 12.85 C 369 | ATOM 368 CG2 ILE A 52 19.922 12.473 9.734 1.00 11.56 C 370 | ATOM 369 CD1 ILE A 52 18.135 13.735 7.540 1.00 11.77 C 371 | ATOM 370 N ALA A 53 22.798 13.330 11.130 1.00 10.70 N 372 | ATOM 371 CA ALA A 53 23.884 12.500 11.631 1.00 10.69 C 373 | ATOM 372 C ALA A 53 23.307 11.200 12.176 1.00 10.93 C 374 | ATOM 373 O ALA A 53 22.405 11.187 12.931 1.00 10.63 O 375 | ATOM 374 CB ALA A 53 24.676 13.206 12.710 1.00 11.97 C 376 | ATOM 375 N ILE A 54 23.895 10.122 11.711 1.00 10.57 N 377 | ATOM 376 CA ILE A 54 23.452 8.768 11.984 1.00 10.59 C 378 | ATOM 377 C ILE A 54 24.521 7.905 12.622 1.00 11.71 C 379 | ATOM 378 O ILE A 54 25.569 7.774 12.149 1.00 12.20 O 380 | ATOM 379 CB ILE A 54 22.905 8.089 10.715 1.00 12.35 C 381 | ATOM 380 CG1 ILE A 54 22.080 9.090 9.902 1.00 11.75 C 382 | ATOM 381 CG2 ILE A 54 22.093 6.860 11.083 1.00 11.48 C 383 | ATOM 382 CD1 ILE A 54 21.331 8.494 8.737 1.00 13.57 C 384 | ATOM 383 N VAL A 55 24.140 7.329 13.732 1.00 11.19 N 385 | ATOM 384 CA AVAL A 55 25.075 6.541 14.568 0.50 11.08 C 386 | ATOM 385 CA BVAL A 55 25.066 6.551 14.563 0.50 12.70 C 387 | ATOM 386 C VAL A 55 24.555 4.966 14.803 1.00 12.30 C 388 | ATOM 387 O VAL A 55 23.442 4.790 15.007 1.00 12.45 O 389 | ATOM 388 CB AVAL A 55 25.230 7.157 15.974 0.50 10.97 C 390 | ATOM 389 CB BVAL A 55 25.308 7.206 15.948 0.50 13.74 C 391 | ATOM 390 CG1AVAL A 55 26.314 6.462 16.787 0.50 8.00 C 392 | ATOM 391 CG1BVAL A 55 25.633 8.633 15.858 0.50 22.94 C 393 | ATOM 392 CG2AVAL A 55 25.495 8.606 15.920 0.50 12.01 C 394 | ATOM 393 CG2BVAL A 55 24.096 7.220 16.789 0.50 12.98 C 395 | ATOM 394 N PRO A 56 25.468 4.028 14.715 1.00 11.77 N 396 | ATOM 395 CA PRO A 56 25.115 2.641 14.892 1.00 12.57 C 397 | ATOM 396 C PRO A 56 24.981 2.253 16.350 1.00 11.95 C 398 | ATOM 397 O PRO A 56 25.149 3.039 17.222 1.00 12.39 O 399 | ATOM 398 CB PRO A 56 26.273 1.887 14.229 1.00 15.59 C 400 | ATOM 399 CG PRO A 56 27.309 2.847 13.942 1.00 16.99 C 401 | ATOM 400 CD PRO A 56 26.872 4.212 14.352 1.00 14.05 C 402 | ATOM 401 N GLY A 57 24.695 0.993 16.544 1.00 12.70 N 403 | ATOM 402 CA GLY A 57 24.538 0.414 17.854 1.00 14.01 C 404 | ATOM 403 C GLY A 57 25.819 -0.222 18.395 1.00 12.13 C 405 | ATOM 404 O GLY A 57 26.814 -0.184 17.772 1.00 12.33 O 406 | ATOM 405 N TYR A 58 25.704 -0.780 19.588 1.00 11.73 N 407 | ATOM 406 CA TYR A 58 26.813 -1.425 20.267 1.00 12.41 C 408 | ATOM 407 C TYR A 58 27.388 -2.524 19.406 1.00 12.92 C 409 | ATOM 408 O TYR A 58 26.673 -3.288 18.872 1.00 13.54 O 410 | ATOM 409 CB TYR A 58 26.294 -2.012 21.562 1.00 13.12 C 411 | ATOM 410 CG TYR A 58 27.309 -2.312 22.635 1.00 13.55 C 412 | ATOM 411 CD1 TYR A 58 27.983 -1.304 23.290 1.00 13.76 C 413 | ATOM 412 CD2 TYR A 58 27.514 -3.607 23.067 1.00 14.84 C 414 | ATOM 413 CE1 TYR A 58 28.836 -1.599 24.313 1.00 15.51 C 415 | ATOM 414 CE2 TYR A 58 28.367 -3.890 24.108 1.00 14.50 C 416 | ATOM 415 CZ TYR A 58 29.020 -2.888 24.708 1.00 14.88 C 417 | ATOM 416 OH TYR A 58 29.857 -3.168 25.747 1.00 16.91 O 418 | ATOM 417 N THR A 59 28.702 -2.473 19.265 1.00 12.34 N 419 | ATOM 418 CA THR A 59 29.559 -3.363 18.441 1.00 12.94 C 420 | ATOM 419 C THR A 59 29.475 -3.090 16.937 1.00 13.40 C 421 | ATOM 420 O THR A 59 30.225 -3.585 16.205 1.00 16.27 O 422 | ATOM 421 CB THR A 59 29.344 -4.907 18.610 1.00 14.87 C 423 | ATOM 422 CG2 THR A 59 29.216 -5.334 20.064 1.00 15.20 C 424 | ATOM 423 OG1 THR A 59 28.219 -5.330 17.850 1.00 14.80 O 425 | ATOM 424 N ALA A 60 28.593 -2.214 16.540 1.00 13.07 N 426 | ATOM 425 CA ALA A 60 28.325 -1.982 15.142 1.00 13.18 C 427 | ATOM 426 C ALA A 60 29.053 -0.830 14.470 1.00 12.56 C 428 | ATOM 427 O ALA A 60 29.555 0.005 15.084 1.00 12.69 O 429 | ATOM 428 CB ALA A 60 26.813 -1.887 14.914 1.00 13.70 C 430 | ATOM 429 N ARG A 61 29.053 -0.893 13.157 1.00 14.12 N 431 | ATOM 430 CA ARG A 61 29.726 0.054 12.334 1.00 13.38 C 432 | ATOM 431 C ARG A 61 28.790 0.710 11.351 1.00 12.70 C 433 | ATOM 432 O ARG A 61 27.650 0.417 11.329 1.00 13.89 O 434 | ATOM 433 CB ARG A 61 30.870 -0.623 11.601 1.00 15.72 C 435 | ATOM 434 CG ARG A 61 31.925 -1.068 12.596 1.00 19.45 C 436 | ATOM 435 CD ARG A 61 33.112 -1.738 11.946 1.00 22.19 C 437 | ATOM 436 NE ARG A 61 34.249 -1.780 12.851 1.00 27.37 N 438 | ATOM 437 CZ ARG A 61 34.446 -2.693 13.775 1.00 28.14 C 439 | ATOM 438 NH1 ARG A 61 33.568 -3.635 13.987 1.00 34.68 N1+ 440 | ATOM 439 NH2 ARG A 61 35.522 -2.641 14.516 1.00 27.80 N 441 | ATOM 440 N GLN A 62 29.338 1.550 10.478 1.00 12.59 N 442 | ATOM 441 CA GLN A 62 28.560 2.298 9.488 1.00 12.67 C 443 | ATOM 442 C GLN A 62 27.724 1.427 8.607 1.00 13.76 C 444 | ATOM 443 O GLN A 62 26.675 1.781 8.254 1.00 14.48 O 445 | ATOM 444 CB GLN A 62 29.460 3.130 8.594 1.00 13.61 C 446 | ATOM 445 CG GLN A 62 30.002 4.405 9.244 1.00 13.70 C 447 | ATOM 446 CD GLN A 62 30.925 5.160 8.320 1.00 15.25 C 448 | ATOM 447 NE2 GLN A 62 30.380 5.737 7.322 1.00 13.18 N 449 | ATOM 448 OE1 GLN A 62 32.104 5.190 8.521 1.00 19.38 O 450 | ATOM 449 N SER A 63 28.199 0.229 8.319 1.00 13.28 N 451 | ATOM 450 CA SER A 63 27.472 -0.691 7.444 1.00 14.70 C 452 | ATOM 451 C SER A 63 26.038 -0.985 7.874 1.00 14.34 C 453 | ATOM 452 O SER A 63 25.188 -1.122 7.090 1.00 14.83 O 454 | ATOM 453 CB SER A 63 28.267 -1.991 7.233 1.00 17.23 C 455 | ATOM 454 OG SER A 63 28.482 -2.637 8.448 1.00 26.35 O 456 | ATOM 455 N SER A 64 25.805 -1.036 9.163 1.00 13.27 N 457 | ATOM 456 CA SER A 64 24.504 -1.289 9.700 1.00 12.86 C 458 | ATOM 457 C SER A 64 23.444 -0.235 9.375 1.00 13.48 C 459 | ATOM 458 O SER A 64 22.299 -0.539 9.336 1.00 13.87 O 460 | ATOM 459 CB SER A 64 24.581 -1.512 11.234 1.00 14.11 C 461 | ATOM 460 OG SER A 64 24.947 -0.358 11.921 1.00 14.28 O 462 | ATOM 461 N ILE A 65 23.877 0.998 9.172 1.00 13.36 N 463 | ATOM 462 CA ILE A 65 22.965 2.101 8.940 1.00 14.36 C 464 | ATOM 463 C ILE A 65 23.235 2.889 7.666 1.00 13.51 C 465 | ATOM 464 O ILE A 65 22.614 3.870 7.438 1.00 13.74 O 466 | ATOM 465 CB ILE A 65 22.951 3.057 10.179 1.00 16.52 C 467 | ATOM 466 CG1 ILE A 65 24.313 3.415 10.638 1.00 20.34 C 468 | ATOM 467 CG2 ILE A 65 22.354 2.381 11.380 1.00 17.88 C 469 | ATOM 468 CD1 ILE A 65 25.029 4.371 9.796 1.00 23.21 C 470 | ATOM 469 N LYS A 66 24.131 2.371 6.839 1.00 12.13 N 471 | ATOM 470 CA LYS A 66 24.577 3.052 5.639 1.00 13.35 C 472 | ATOM 471 C LYS A 66 23.521 3.334 4.598 1.00 12.93 C 473 | ATOM 472 O LYS A 66 23.564 4.308 3.948 1.00 13.92 O 474 | ATOM 473 CB LYS A 66 25.755 2.319 4.967 1.00 14.98 C 475 | ATOM 474 CG LYS A 66 25.397 1.005 4.326 1.00 16.88 C 476 | ATOM 475 CD LYS A 66 26.594 0.336 3.654 1.00 18.55 C 477 | ATOM 476 CE LYS A 66 26.255 -1.112 3.381 1.00 19.58 C 478 | ATOM 477 NZ LYS A 66 27.400 -1.766 2.652 1.00 21.10 N1+ 479 | ATOM 478 N TRP A 67 22.519 2.496 4.531 1.00 12.78 N 480 | ATOM 479 CA TRP A 67 21.459 2.673 3.549 1.00 12.90 C 481 | ATOM 480 C TRP A 67 20.763 4.026 3.620 1.00 12.50 C 482 | ATOM 481 O TRP A 67 20.371 4.566 2.648 1.00 12.88 O 483 | ATOM 482 CB TRP A 67 20.444 1.534 3.646 1.00 12.53 C 484 | ATOM 483 CG TRP A 67 19.473 1.546 4.790 1.00 12.38 C 485 | ATOM 484 CD1 TRP A 67 19.695 1.155 6.054 1.00 12.68 C 486 | ATOM 485 CD2 TRP A 67 18.098 1.896 4.715 1.00 12.66 C 487 | ATOM 486 CE2 TRP A 67 17.557 1.715 5.983 1.00 13.14 C 488 | ATOM 487 CE3 TRP A 67 17.278 2.360 3.696 1.00 13.86 C 489 | ATOM 488 NE1 TRP A 67 18.554 1.249 6.791 1.00 12.72 N 490 | ATOM 489 CZ2 TRP A 67 16.223 1.951 6.253 1.00 12.36 C 491 | ATOM 490 CZ3 TRP A 67 15.980 2.606 3.957 1.00 14.20 C 492 | ATOM 491 CH2 TRP A 67 15.446 2.400 5.228 1.00 14.13 C 493 | ATOM 492 N TRP A 68 20.664 4.570 4.825 1.00 11.81 N 494 | ATOM 493 CA TRP A 68 20.035 5.852 5.010 1.00 11.82 C 495 | ATOM 494 C TRP A 68 20.796 7.008 4.337 1.00 12.62 C 496 | ATOM 495 O TRP A 68 20.231 7.974 4.033 1.00 13.09 O 497 | ATOM 496 CB TRP A 68 19.928 6.125 6.503 1.00 12.19 C 498 | ATOM 497 CG TRP A 68 18.856 5.416 7.280 1.00 11.66 C 499 | ATOM 498 CD1 TRP A 68 19.053 4.575 8.297 1.00 11.64 C 500 | ATOM 499 CD2 TRP A 68 17.454 5.573 7.154 1.00 10.43 C 501 | ATOM 500 CE2 TRP A 68 16.870 4.772 8.120 1.00 10.59 C 502 | ATOM 501 CE3 TRP A 68 16.632 6.319 6.316 1.00 11.17 C 503 | ATOM 502 NE1 TRP A 68 17.877 4.171 8.815 1.00 11.84 N 504 | ATOM 503 CZ2 TRP A 68 15.513 4.711 8.292 1.00 11.88 C 505 | ATOM 504 CZ3 TRP A 68 15.327 6.225 6.467 1.00 12.41 C 506 | ATOM 505 CH2 TRP A 68 14.757 5.434 7.442 1.00 11.76 C 507 | ATOM 506 N GLY A 69 22.092 6.854 4.153 1.00 12.55 N 508 | ATOM 507 CA GLY A 69 22.878 7.887 3.518 1.00 13.37 C 509 | ATOM 508 C GLY A 69 22.374 8.265 2.128 1.00 12.73 C 510 | ATOM 509 O GLY A 69 21.985 9.342 1.928 1.00 13.73 O 511 | ATOM 510 N PRO A 70 22.414 7.333 1.189 1.00 13.24 N 512 | ATOM 511 CA PRO A 70 21.898 7.670 -0.118 1.00 13.99 C 513 | ATOM 512 C PRO A 70 20.369 7.812 -0.124 1.00 13.74 C 514 | ATOM 513 O PRO A 70 19.877 8.598 -0.821 1.00 14.54 O 515 | ATOM 514 CB PRO A 70 22.349 6.476 -0.969 1.00 15.55 C 516 | ATOM 515 CG PRO A 70 22.553 5.375 0.002 1.00 15.51 C 517 | ATOM 516 CD PRO A 70 23.150 6.062 1.171 1.00 13.98 C 518 | ATOM 517 N ARG A 71 19.688 7.060 0.696 1.00 13.38 N 519 | ATOM 518 CA ARG A 71 18.245 7.160 0.725 1.00 13.44 C 520 | ATOM 519 C ARG A 71 17.750 8.554 1.109 1.00 14.36 C 521 | ATOM 520 O ARG A 71 16.953 9.106 0.444 1.00 15.08 O 522 | ATOM 521 CB ARG A 71 17.638 6.069 1.585 1.00 14.30 C 523 | ATOM 522 CG ARG A 71 16.109 6.025 1.610 1.00 13.60 C 524 | ATOM 523 CD ARG A 71 15.462 5.744 0.251 1.00 15.77 C 525 | ATOM 524 NE ARG A 71 14.035 5.462 0.387 1.00 16.15 N 526 | ATOM 525 CZ ARG A 71 13.516 4.263 0.509 1.00 15.62 C 527 | ATOM 526 NH1 ARG A 71 14.278 3.202 0.563 1.00 16.29 N1+ 528 | ATOM 527 NH2 ARG A 71 12.218 4.130 0.630 1.00 13.55 N 529 | ATOM 528 N LEU A 72 18.284 9.104 2.171 1.00 12.28 N 530 | ATOM 529 CA LEU A 72 17.935 10.443 2.572 1.00 12.08 C 531 | ATOM 530 C LEU A 72 18.590 11.525 1.708 1.00 12.12 C 532 | ATOM 531 O LEU A 72 17.944 12.419 1.305 1.00 12.51 O 533 | ATOM 532 CB LEU A 72 18.329 10.660 4.026 1.00 12.48 C 534 | ATOM 533 CG LEU A 72 17.341 10.115 5.058 1.00 13.57 C 535 | ATOM 534 CD1 LEU A 72 18.065 9.895 6.363 1.00 14.26 C 536 | ATOM 535 CD2 LEU A 72 16.172 11.044 5.258 1.00 15.20 C 537 | ATOM 536 N ALA A 73 19.870 11.391 1.392 1.00 12.02 N 538 | ATOM 537 CA ALA A 73 20.550 12.434 0.619 1.00 12.81 C 539 | ATOM 538 C ALA A 73 19.938 12.687 -0.739 1.00 13.06 C 540 | ATOM 539 O ALA A 73 19.819 13.781 -1.156 1.00 13.49 O 541 | ATOM 540 CB ALA A 73 22.031 12.148 0.469 1.00 13.68 C 542 | ATOM 541 N SER A 74 19.437 11.630 -1.352 1.00 11.91 N 543 | ATOM 542 CA SER A 74 18.782 11.679 -2.658 1.00 13.36 C 544 | ATOM 543 C SER A 74 17.453 12.419 -2.660 1.00 13.48 C 545 | ATOM 544 O SER A 74 16.905 12.672 -3.677 1.00 14.42 O 546 | ATOM 545 CB SER A 74 18.604 10.280 -3.245 1.00 12.95 C 547 | ATOM 546 OG SER A 74 17.668 9.516 -2.529 1.00 14.33 O 548 | ATOM 547 N HIS A 75 16.949 12.694 -1.479 1.00 13.25 N 549 | ATOM 548 CA HIS A 75 15.755 13.498 -1.335 1.00 12.64 C 550 | ATOM 549 C HIS A 75 16.065 14.912 -0.876 1.00 13.53 C 551 | ATOM 550 O HIS A 75 15.193 15.660 -0.705 1.00 16.17 O 552 | ATOM 551 CB HIS A 75 14.733 12.865 -0.413 1.00 12.64 C 553 | ATOM 552 CG HIS A 75 14.056 11.679 -1.013 1.00 12.84 C 554 | ATOM 553 CD2 HIS A 75 14.330 10.358 -0.916 1.00 12.48 C 555 | ATOM 554 ND1 HIS A 75 12.936 11.777 -1.789 1.00 13.70 N 556 | ATOM 555 CE1 HIS A 75 12.564 10.576 -2.168 1.00 13.06 C 557 | ATOM 556 NE2 HIS A 75 13.386 9.696 -1.646 1.00 13.50 N 558 | ATOM 557 N GLY A 76 17.320 15.258 -0.723 1.00 13.05 N 559 | ATOM 558 CA GLY A 76 17.675 16.616 -0.351 1.00 13.72 C 560 | ATOM 559 C GLY A 76 18.159 16.859 1.060 1.00 12.10 C 561 | ATOM 560 O GLY A 76 17.620 17.669 1.738 1.00 13.35 O 562 | ATOM 561 N PHE A 77 19.167 16.110 1.468 1.00 12.87 N 563 | ATOM 562 CA PHE A 77 19.775 16.283 2.771 1.00 12.44 C 564 | ATOM 563 C PHE A 77 21.247 15.949 2.677 1.00 12.70 C 565 | ATOM 564 O PHE A 77 21.627 15.224 1.880 1.00 13.26 O 566 | ATOM 565 CB PHE A 77 19.185 15.290 3.821 1.00 11.94 C 567 | ATOM 566 CG PHE A 77 17.744 15.515 4.136 1.00 13.96 C 568 | ATOM 567 CD1 PHE A 77 17.354 16.488 5.007 1.00 15.04 C 569 | ATOM 568 CD2 PHE A 77 16.808 14.782 3.509 1.00 15.08 C 570 | ATOM 569 CE1 PHE A 77 16.037 16.717 5.256 1.00 15.35 C 571 | ATOM 570 CE2 PHE A 77 15.477 14.977 3.766 1.00 15.77 C 572 | ATOM 571 CZ PHE A 77 15.093 15.960 4.623 1.00 15.77 C 573 | ATOM 572 N VAL A 78 22.021 16.525 3.567 1.00 12.99 N 574 | ATOM 573 CA VAL A 78 23.416 16.139 3.747 1.00 13.48 C 575 | ATOM 574 C VAL A 78 23.393 15.160 4.926 1.00 13.08 C 576 | ATOM 575 O VAL A 78 22.882 15.441 5.943 1.00 14.29 O 577 | ATOM 576 CB VAL A 78 24.339 17.333 4.016 1.00 13.14 C 578 | ATOM 577 CG1 VAL A 78 25.709 16.808 4.454 1.00 16.70 C 579 | ATOM 578 CG2 VAL A 78 24.510 18.149 2.735 1.00 14.59 C 580 | ATOM 579 N VAL A 79 23.874 13.973 4.701 1.00 12.29 N 581 | ATOM 580 CA VAL A 79 23.854 12.941 5.707 1.00 12.41 C 582 | ATOM 581 C VAL A 79 25.257 12.451 6.074 1.00 12.79 C 583 | ATOM 582 O VAL A 79 26.038 12.190 5.237 1.00 13.52 O 584 | ATOM 583 CB VAL A 79 22.998 11.753 5.222 1.00 12.18 C 585 | ATOM 584 CG1 VAL A 79 22.881 10.705 6.298 1.00 13.71 C 586 | ATOM 585 CG2 VAL A 79 21.630 12.207 4.733 1.00 14.04 C 587 | ATOM 586 N ILE A 80 25.548 12.354 7.355 1.00 11.81 N 588 | ATOM 587 CA ILE A 80 26.801 11.814 7.804 1.00 11.70 C 589 | ATOM 588 C ILE A 80 26.540 10.555 8.629 1.00 12.26 C 590 | ATOM 589 O ILE A 80 25.806 10.565 9.545 1.00 12.04 O 591 | ATOM 590 CB ILE A 80 27.681 12.847 8.555 1.00 11.62 C 592 | ATOM 591 CG1 ILE A 80 29.021 12.214 8.915 1.00 13.36 C 593 | ATOM 592 CG2 ILE A 80 26.978 13.400 9.783 1.00 12.55 C 594 | ATOM 593 CD1 ILE A 80 30.082 13.223 9.343 1.00 13.78 C 595 | ATOM 594 N THR A 81 27.126 9.459 8.192 1.00 11.92 N 596 | ATOM 595 CA THR A 81 27.061 8.190 8.899 1.00 12.60 C 597 | ATOM 596 C THR A 81 28.401 7.995 9.605 1.00 12.21 C 598 | ATOM 597 O THR A 81 29.400 8.243 9.048 1.00 13.50 O 599 | ATOM 598 CB THR A 81 26.778 6.986 7.975 1.00 12.80 C 600 | ATOM 599 CG2 THR A 81 25.472 7.165 7.259 1.00 13.47 C 601 | ATOM 600 OG1 THR A 81 27.816 6.885 7.000 1.00 14.30 O 602 | ATOM 601 N ILE A 82 28.389 7.603 10.861 1.00 12.43 N 603 | ATOM 602 CA ILE A 82 29.639 7.466 11.575 1.00 12.76 C 604 | ATOM 603 C ILE A 82 29.944 6.131 12.214 1.00 12.38 C 605 | ATOM 604 O ILE A 82 29.090 5.349 12.446 1.00 13.10 O 606 | ATOM 605 CB ILE A 82 29.778 8.512 12.734 1.00 11.71 C 607 | ATOM 606 CG1 ILE A 82 28.821 8.255 13.918 1.00 12.02 C 608 | ATOM 607 CG2 ILE A 82 29.600 9.916 12.181 1.00 14.33 C 609 | ATOM 608 CD1 ILE A 82 29.107 9.106 15.152 1.00 13.57 C 610 | ATOM 609 N ASP A 83 31.228 5.922 12.434 1.00 11.99 N 611 | ATOM 610 CA ASP A 83 31.718 4.880 13.299 1.00 12.39 C 612 | ATOM 611 C ASP A 83 32.117 5.626 14.579 1.00 12.38 C 613 | ATOM 612 O ASP A 83 32.611 6.701 14.531 1.00 13.27 O 614 | ATOM 613 CB ASP A 83 32.957 4.170 12.744 1.00 13.09 C 615 | ATOM 614 CG ASP A 83 32.631 3.246 11.643 1.00 15.67 C 616 | ATOM 615 OD1 ASP A 83 31.738 2.499 11.790 1.00 18.23 O 617 | ATOM 616 OD2 ASP A 83 33.268 3.330 10.641 1.00 19.58 O1- 618 | ATOM 617 N THR A 84 31.841 5.025 15.706 1.00 12.75 N 619 | ATOM 618 CA THR A 84 32.190 5.641 16.945 1.00 13.16 C 620 | ATOM 619 C THR A 84 33.697 5.413 17.270 1.00 13.41 C 621 | ATOM 620 O THR A 84 34.344 4.578 16.724 1.00 14.24 O 622 | ATOM 621 CB THR A 84 31.279 5.119 18.086 1.00 12.88 C 623 | ATOM 622 CG2 THR A 84 29.833 5.612 17.903 1.00 14.25 C 624 | ATOM 623 OG1 THR A 84 31.277 3.695 18.062 1.00 14.18 O 625 | ATOM 624 N ASN A 85 34.194 6.178 18.235 1.00 12.26 N 626 | ATOM 625 CA ASN A 85 35.582 6.057 18.653 1.00 13.55 C 627 | ATOM 626 C ASN A 85 35.885 4.629 19.082 1.00 13.94 C 628 | ATOM 627 O ASN A 85 36.920 4.131 18.815 1.00 16.35 O 629 | ATOM 628 CB ASN A 85 35.877 6.978 19.821 1.00 13.79 C 630 | ATOM 629 CG ASN A 85 35.929 8.434 19.428 1.00 17.17 C 631 | ATOM 630 ND2 ASN A 85 36.481 8.708 18.348 1.00 15.73 N 632 | ATOM 631 OD1 ASN A 85 35.436 9.258 20.132 1.00 21.26 O 633 | ATOM 632 N SER A 86 34.955 4.048 19.793 1.00 13.61 N 634 | ATOM 633 CA SER A 86 35.040 2.665 20.160 1.00 13.75 C 635 | ATOM 634 C SER A 86 33.718 2.012 19.798 1.00 13.68 C 636 | ATOM 635 O SER A 86 32.688 2.529 20.066 1.00 12.85 O 637 | ATOM 636 CB SER A 86 35.290 2.498 21.666 1.00 16.88 C 638 | ATOM 637 OG SER A 86 35.044 1.178 22.110 1.00 16.63 O 639 | ATOM 638 N THR A 87 33.758 0.750 19.369 1.00 12.63 N 640 | ATOM 639 CA THR A 87 32.517 -0.003 19.127 1.00 13.11 C 641 | ATOM 640 C THR A 87 31.757 -0.283 20.440 1.00 12.20 C 642 | ATOM 641 O THR A 87 30.629 -0.598 20.420 1.00 13.31 O 643 | ATOM 642 CB THR A 87 32.723 -1.371 18.427 1.00 13.15 C 644 | ATOM 643 CG2 THR A 87 33.496 -1.261 17.105 1.00 13.98 C 645 | ATOM 644 OG1 THR A 87 33.396 -2.254 19.316 1.00 13.77 O 646 | ATOM 645 N LEU A 88 32.421 -0.104 21.572 1.00 12.52 N 647 | ATOM 646 CA LEU A 88 31.822 -0.343 22.868 1.00 13.84 C 648 | ATOM 647 C LEU A 88 31.378 0.918 23.620 1.00 13.29 C 649 | ATOM 648 O LEU A 88 31.097 0.875 24.757 1.00 13.72 O 650 | ATOM 649 CB LEU A 88 32.756 -1.197 23.740 1.00 15.08 C 651 | ATOM 650 CG LEU A 88 33.200 -2.527 23.055 1.00 16.07 C 652 | ATOM 651 CD1 LEU A 88 34.067 -3.372 23.936 1.00 18.34 C 653 | ATOM 652 CD2 LEU A 88 32.056 -3.363 22.535 1.00 17.30 C 654 | ATOM 653 N ASP A 89 31.270 2.001 22.884 1.00 12.50 N 655 | ATOM 654 CA ASP A 89 30.789 3.249 23.454 1.00 13.10 C 656 | ATOM 655 C ASP A 89 29.298 3.089 23.835 1.00 12.44 C 657 | ATOM 656 O ASP A 89 28.560 2.407 23.181 1.00 13.15 O 658 | ATOM 657 CB ASP A 89 30.966 4.417 22.456 1.00 13.03 C 659 | ATOM 658 CG ASP A 89 32.404 4.854 22.305 1.00 14.27 C 660 | ATOM 659 OD1 ASP A 89 33.147 4.638 23.224 1.00 17.86 O 661 | ATOM 660 OD2 ASP A 89 32.735 5.358 21.272 1.00 13.96 O1- 662 | ATOM 661 N GLN A 90 28.919 3.725 24.933 1.00 13.10 N 663 | ATOM 662 CA GLN A 90 27.568 3.682 25.465 1.00 13.58 C 664 | ATOM 663 C GLN A 90 26.704 4.854 24.922 1.00 12.93 C 665 | ATOM 664 O GLN A 90 27.223 5.678 24.251 1.00 13.09 O 666 | ATOM 665 CB GLN A 90 27.626 3.638 27.004 1.00 15.91 C 667 | ATOM 666 CG GLN A 90 28.350 2.400 27.574 1.00 18.62 C 668 | ATOM 667 CD GLN A 90 27.550 1.136 27.509 1.00 19.29 C 669 | ATOM 668 NE2 GLN A 90 26.312 1.246 27.661 1.00 17.77 N 670 | ATOM 669 OE1 GLN A 90 28.091 0.062 27.311 1.00 24.35 O 671 | ATOM 670 N PRO A 91 25.394 4.884 25.221 1.00 12.75 N 672 | ATOM 671 CA PRO A 91 24.553 5.908 24.595 1.00 12.09 C 673 | ATOM 672 C PRO A 91 24.956 7.363 24.760 1.00 12.86 C 674 | ATOM 673 O PRO A 91 24.886 8.081 23.831 1.00 12.41 O 675 | ATOM 674 CB PRO A 91 23.172 5.645 25.184 1.00 11.95 C 676 | ATOM 675 CG PRO A 91 23.184 4.165 25.418 1.00 13.78 C 677 | ATOM 676 CD PRO A 91 24.563 3.893 25.934 1.00 13.41 C 678 | ATOM 677 N SER A 92 25.385 7.758 25.931 1.00 13.21 N 679 | ATOM 678 CA SER A 92 25.769 9.134 26.122 1.00 13.43 C 680 | ATOM 679 C SER A 92 26.961 9.552 25.225 1.00 11.86 C 681 | ATOM 680 O SER A 92 26.951 10.604 24.632 1.00 12.95 O 682 | ATOM 681 CB SER A 92 26.024 9.385 27.585 1.00 16.05 C 683 | ATOM 682 OG SER A 92 26.378 10.693 27.740 1.00 26.62 O 684 | ATOM 683 N SER A 93 27.951 8.689 25.146 1.00 11.75 N 685 | ATOM 684 CA SER A 93 29.102 8.871 24.291 1.00 12.19 C 686 | ATOM 685 C SER A 93 28.679 8.904 22.818 1.00 11.76 C 687 | ATOM 686 O SER A 93 29.149 9.689 22.078 1.00 12.66 O 688 | ATOM 687 CB SER A 93 30.104 7.764 24.549 1.00 13.66 C 689 | ATOM 688 OG SER A 93 31.160 7.837 23.669 1.00 15.94 O 690 | ATOM 689 N ARG A 94 27.765 8.027 22.437 1.00 10.81 N 691 | ATOM 690 CA ARG A 94 27.229 8.017 21.081 1.00 11.77 C 692 | ATOM 691 C ARG A 94 26.538 9.356 20.756 1.00 10.64 C 693 | ATOM 692 O ARG A 94 26.685 9.860 19.719 1.00 11.70 O 694 | ATOM 693 CB ARG A 94 26.283 6.828 20.885 1.00 12.13 C 695 | ATOM 694 CG ARG A 94 27.009 5.466 20.837 1.00 12.20 C 696 | ATOM 695 CD ARG A 94 26.091 4.232 20.757 1.00 11.61 C 697 | ATOM 696 NE ARG A 94 26.963 3.102 20.952 1.00 11.87 N 698 | ATOM 697 CZ ARG A 94 27.684 2.527 20.018 1.00 11.25 C 699 | ATOM 698 NH1 ARG A 94 27.489 2.753 18.753 1.00 12.07 N1+ 700 | ATOM 699 NH2 ARG A 94 28.595 1.663 20.384 1.00 12.72 N 701 | ATOM 700 N SER A 95 25.813 9.906 21.706 1.00 10.52 N 702 | ATOM 701 CA SER A 95 25.164 11.182 21.516 1.00 10.59 C 703 | ATOM 702 C SER A 95 26.214 12.286 21.300 1.00 11.34 C 704 | ATOM 703 O SER A 95 26.139 13.035 20.409 1.00 11.49 O 705 | ATOM 704 CB SER A 95 24.286 11.532 22.708 1.00 11.81 C 706 | ATOM 705 OG SER A 95 23.828 12.866 22.567 1.00 11.99 O 707 | ATOM 706 N SER A 96 27.235 12.302 22.114 1.00 11.88 N 708 | ATOM 707 CA SER A 96 28.300 13.284 21.991 1.00 11.85 C 709 | ATOM 708 C SER A 96 28.967 13.204 20.615 1.00 11.18 C 710 | ATOM 709 O SER A 96 29.231 14.183 20.015 1.00 11.99 O 711 | ATOM 710 CB SER A 96 29.289 13.029 23.119 1.00 15.17 C 712 | ATOM 711 OG SER A 96 30.313 13.901 23.034 1.00 27.88 O 713 | ATOM 712 N GLN A 97 29.201 12.001 20.140 1.00 10.63 N 714 | ATOM 713 CA GLN A 97 29.818 11.779 18.862 1.00 11.46 C 715 | ATOM 714 C GLN A 97 28.911 12.136 17.683 1.00 11.13 C 716 | ATOM 715 O GLN A 97 29.365 12.620 16.711 1.00 11.77 O 717 | ATOM 716 CB GLN A 97 30.333 10.334 18.804 1.00 11.20 C 718 | ATOM 717 CG GLN A 97 31.496 10.103 19.762 1.00 11.96 C 719 | ATOM 718 CD GLN A 97 31.942 8.675 19.783 1.00 12.29 C 720 | ATOM 719 NE2 GLN A 97 32.459 8.247 18.719 1.00 11.08 N 721 | ATOM 720 OE1 GLN A 97 31.815 8.002 20.772 1.00 17.73 O 722 | ATOM 721 N GLN A 98 27.626 11.856 17.827 1.00 10.71 N 723 | ATOM 722 CA GLN A 98 26.638 12.244 16.839 1.00 10.65 C 724 | ATOM 723 C GLN A 98 26.646 13.778 16.666 1.00 10.29 C 725 | ATOM 724 O GLN A 98 26.628 14.263 15.596 1.00 10.81 O 726 | ATOM 725 CB GLN A 98 25.264 11.795 17.309 1.00 10.47 C 727 | ATOM 726 CG GLN A 98 24.097 12.167 16.411 1.00 11.09 C 728 | ATOM 727 CD GLN A 98 22.858 11.453 16.889 1.00 10.67 C 729 | ATOM 728 NE2 GLN A 98 22.249 10.683 16.058 1.00 11.38 N 730 | ATOM 729 OE1 GLN A 98 22.499 11.592 17.991 1.00 11.92 O 731 | ATOM 730 N MET A 99 26.673 14.486 17.771 1.00 11.22 N 732 | ATOM 731 CA MET A 99 26.711 15.932 17.761 1.00 10.91 C 733 | ATOM 732 C MET A 99 28.035 16.450 17.195 1.00 11.05 C 734 | ATOM 733 O MET A 99 28.030 17.412 16.515 1.00 12.70 O 735 | ATOM 734 CB MET A 99 26.400 16.491 19.142 1.00 11.59 C 736 | ATOM 735 CG MET A 99 25.008 16.158 19.689 1.00 12.21 C 737 | ATOM 736 SD MET A 99 23.616 16.436 18.525 1.00 12.45 S 738 | ATOM 737 CE MET A 99 23.712 18.239 18.222 1.00 11.77 C 739 | ATOM 738 N ALA A 100 29.122 15.738 17.449 1.00 11.59 N 740 | ATOM 739 CA ALA A 100 30.410 16.100 16.883 1.00 12.15 C 741 | ATOM 740 C ALA A 100 30.382 15.917 15.353 1.00 12.50 C 742 | ATOM 741 O ALA A 100 31.005 16.649 14.668 1.00 13.47 O 743 | ATOM 742 CB ALA A 100 31.511 15.271 17.501 1.00 13.70 C 744 | ATOM 743 N ALA A 101 29.659 14.926 14.867 1.00 11.32 N 745 | ATOM 744 CA ALA A 101 29.499 14.692 13.429 1.00 12.54 C 746 | ATOM 745 C ALA A 101 28.697 15.808 12.772 1.00 11.85 C 747 | ATOM 746 O ALA A 101 29.046 16.269 11.751 1.00 12.54 O 748 | ATOM 747 CB ALA A 101 28.847 13.355 13.186 1.00 13.92 C 749 | ATOM 748 N LEU A 102 27.650 16.262 13.424 1.00 11.32 N 750 | ATOM 749 CA LEU A 102 26.873 17.402 12.929 1.00 11.90 C 751 | ATOM 750 C LEU A 102 27.759 18.640 12.937 1.00 13.04 C 752 | ATOM 751 O LEU A 102 27.746 19.413 12.040 1.00 13.28 O 753 | ATOM 752 CB LEU A 102 25.653 17.661 13.800 1.00 11.28 C 754 | ATOM 753 CG LEU A 102 24.450 16.722 13.583 1.00 12.53 C 755 | ATOM 754 CD1 LEU A 102 23.385 16.983 14.619 1.00 13.25 C 756 | ATOM 755 CD2 LEU A 102 23.846 16.844 12.184 1.00 12.39 C 757 | ATOM 756 N ARG A 103 28.547 18.762 13.980 1.00 12.35 N 758 | ATOM 757 CA ARG A 103 29.476 19.857 14.084 1.00 13.29 C 759 | ATOM 758 C ARG A 103 30.479 19.851 12.925 1.00 14.38 C 760 | ATOM 759 O ARG A 103 30.765 20.876 12.350 1.00 15.43 O 761 | ATOM 760 CB ARG A 103 30.208 19.773 15.415 1.00 14.78 C 762 | ATOM 761 CG ARG A 103 30.980 21.016 15.819 1.00 18.70 C 763 | ATOM 762 CD ARG A 103 32.384 20.886 15.387 1.00 24.97 C 764 | ATOM 763 NE ARG A 103 33.358 21.552 16.265 1.00 23.23 N 765 | ATOM 764 CZ ARG A 103 34.583 21.853 15.890 1.00 21.88 C 766 | ATOM 765 NH1 ARG A 103 35.359 22.446 16.719 1.00 20.24 N1+ 767 | ATOM 766 NH2 ARG A 103 35.019 21.598 14.680 1.00 23.57 N 768 | ATOM 767 N GLN A 104 30.981 18.693 12.583 1.00 12.61 N 769 | ATOM 768 CA GLN A 104 31.925 18.610 11.504 1.00 14.10 C 770 | ATOM 769 C GLN A 104 31.265 18.926 10.175 1.00 14.37 C 771 | ATOM 770 O GLN A 104 31.870 19.514 9.336 1.00 15.58 O 772 | ATOM 771 CB GLN A 104 32.658 17.271 11.474 1.00 15.28 C 773 | ATOM 772 CG GLN A 104 33.815 17.290 10.484 1.00 16.76 C 774 | ATOM 773 CD GLN A 104 34.948 16.406 10.889 1.00 17.68 C 775 | ATOM 774 NE2 GLN A 104 36.133 16.802 10.512 1.00 17.56 N 776 | ATOM 775 OE1 GLN A 104 34.763 15.390 11.419 1.00 15.84 O 777 | ATOM 776 N VAL A 105 30.027 18.529 9.977 1.00 13.74 N 778 | ATOM 777 CA VAL A 105 29.308 18.897 8.770 1.00 14.35 C 779 | ATOM 778 C VAL A 105 29.193 20.420 8.693 1.00 15.10 C 780 | ATOM 779 O VAL A 105 29.367 20.985 7.665 1.00 14.38 O 781 | ATOM 780 CB VAL A 105 27.930 18.209 8.692 1.00 13.86 C 782 | ATOM 781 CG1 VAL A 105 27.107 18.784 7.558 1.00 14.90 C 783 | ATOM 782 CG2 VAL A 105 28.134 16.738 8.444 1.00 14.20 C 784 | ATOM 783 N ALA A 106 28.928 21.054 9.811 1.00 14.33 N 785 | ATOM 784 CA ALA A 106 28.844 22.491 9.852 1.00 14.44 C 786 | ATOM 785 C ALA A 106 30.205 23.110 9.548 1.00 16.95 C 787 | ATOM 786 O ALA A 106 30.287 24.052 8.829 1.00 18.27 O 788 | ATOM 787 CB ALA A 106 28.311 22.943 11.175 1.00 17.26 C 789 | ATOM 788 N SER A 107 31.266 22.510 10.046 1.00 17.37 N 790 | ATOM 789 CA SER A 107 32.630 22.979 9.801 1.00 18.90 C 791 | ATOM 790 C SER A 107 32.909 22.894 8.326 1.00 17.32 C 792 | ATOM 791 O SER A 107 33.353 23.834 7.744 1.00 19.45 O 793 | ATOM 792 CB SER A 107 33.660 22.140 10.549 1.00 18.78 C 794 | ATOM 793 OG SER A 107 34.979 22.369 10.070 1.00 22.25 O 795 | ATOM 794 N LEU A 108 32.634 21.767 7.717 1.00 16.14 N 796 | ATOM 795 CA LEU A 108 32.847 21.572 6.293 1.00 17.51 C 797 | ATOM 796 C LEU A 108 32.016 22.539 5.463 1.00 17.98 C 798 | ATOM 797 O LEU A 108 32.503 23.111 4.518 1.00 18.61 O 799 | ATOM 798 CB LEU A 108 32.573 20.139 5.938 1.00 18.70 C 800 | ATOM 799 CG LEU A 108 33.574 19.184 6.587 1.00 20.79 C 801 | ATOM 800 CD1 LEU A 108 33.156 17.768 6.373 1.00 25.97 C 802 | ATOM 801 CD2 LEU A 108 35.008 19.410 6.137 1.00 27.76 C 803 | ATOM 802 N ASN A 109 30.804 22.835 5.890 1.00 14.87 N 804 | ATOM 803 CA ASN A 109 29.959 23.783 5.194 1.00 15.32 C 805 | ATOM 804 C ASN A 109 30.570 25.214 5.150 1.00 15.46 C 806 | ATOM 805 O ASN A 109 30.317 25.948 4.255 1.00 16.11 O 807 | ATOM 806 CB ASN A 109 28.584 23.895 5.873 1.00 14.85 C 808 | ATOM 807 CG ASN A 109 27.702 24.923 5.224 1.00 15.24 C 809 | ATOM 808 ND2 ASN A 109 27.415 25.954 5.937 1.00 18.36 N 810 | ATOM 809 OD1 ASN A 109 27.277 24.761 4.143 1.00 16.66 O 811 | ATOM 810 N GLY A 110 31.345 25.563 6.156 1.00 15.54 N 812 | ATOM 811 CA GLY A 110 31.928 26.886 6.251 1.00 16.13 C 813 | ATOM 812 C GLY A 110 33.387 26.977 5.856 1.00 17.25 C 814 | ATOM 813 O GLY A 110 33.958 28.020 5.974 1.00 19.63 O 815 | ATOM 814 N THR A 111 33.951 25.892 5.380 1.00 15.29 N 816 | ATOM 815 CA THR A 111 35.333 25.834 5.011 1.00 17.24 C 817 | ATOM 816 C THR A 111 35.388 25.839 3.496 1.00 16.99 C 818 | ATOM 817 O THR A 111 34.914 24.969 2.840 1.00 16.03 O 819 | ATOM 818 CB THR A 111 35.999 24.578 5.621 1.00 19.49 C 820 | ATOM 819 CG2 THR A 111 37.484 24.540 5.313 1.00 21.46 C 821 | ATOM 820 OG1 THR A 111 35.843 24.582 7.036 1.00 21.52 O 822 | ATOM 821 N SER A 112 36.076 26.841 2.961 1.00 16.12 N 823 | ATOM 822 CA SER A 112 36.187 27.049 1.513 1.00 16.18 C 824 | ATOM 823 C SER A 112 36.748 25.880 0.712 1.00 14.25 C 825 | ATOM 824 O SER A 112 36.417 25.692 -0.388 1.00 16.23 O 826 | ATOM 825 CB SER A 112 37.054 28.283 1.227 1.00 16.89 C 827 | ATOM 826 OG SER A 112 38.377 27.986 1.549 1.00 17.09 O 828 | ATOM 827 N SER A 113 37.545 25.060 1.345 1.00 15.79 N 829 | ATOM 828 CA SER A 113 38.178 23.975 0.667 1.00 17.31 C 830 | ATOM 829 C SER A 113 37.401 22.669 0.627 1.00 18.53 C 831 | ATOM 830 O SER A 113 37.833 21.750 0.046 1.00 20.62 O 832 | ATOM 831 CB SER A 113 39.566 23.732 1.272 1.00 21.08 C 833 | ATOM 832 OG SER A 113 39.468 23.554 2.646 1.00 24.47 O 834 | ATOM 833 N SER A 114 36.223 22.629 1.224 1.00 16.85 N 835 | ATOM 834 CA SER A 114 35.459 21.411 1.263 1.00 20.35 C 836 | ATOM 835 C SER A 114 34.537 21.254 0.073 1.00 25.24 C 837 | ATOM 836 O SER A 114 34.038 22.192 -0.416 1.00 26.07 O 838 | ATOM 837 CB SER A 114 34.627 21.515 2.547 1.00 21.33 C 839 | ATOM 838 OG SER A 114 33.559 20.664 2.595 1.00 29.69 O 840 | ATOM 839 N PRO A 115 34.154 20.019 -0.233 1.00 23.13 N 841 | ATOM 840 CA PRO A 115 33.208 19.802 -1.308 1.00 26.72 C 842 | ATOM 841 C PRO A 115 31.817 20.233 -0.981 1.00 26.71 C 843 | ATOM 842 O PRO A 115 31.039 20.439 -1.861 1.00 31.90 O 844 | ATOM 843 CB PRO A 115 33.169 18.294 -1.482 1.00 31.06 C 845 | ATOM 844 CG PRO A 115 34.170 17.751 -0.627 1.00 28.58 C 846 | ATOM 845 CD PRO A 115 34.710 18.786 0.292 1.00 27.98 C 847 | ATOM 846 N ILE A 116 31.505 20.385 0.290 1.00 19.09 N 848 | ATOM 847 CA ILE A 116 30.176 20.764 0.652 1.00 19.26 C 849 | ATOM 848 C ILE A 116 30.077 22.185 1.152 1.00 16.78 C 850 | ATOM 849 O ILE A 116 29.165 22.518 1.811 1.00 16.64 O 851 | ATOM 850 CB ILE A 116 29.482 19.787 1.635 1.00 20.40 C 852 | ATOM 851 CG1 ILE A 116 30.223 19.674 2.958 1.00 18.13 C 853 | ATOM 852 CG2 ILE A 116 29.312 18.406 1.021 1.00 23.91 C 854 | ATOM 853 CD1 ILE A 116 29.361 19.065 4.055 1.00 21.33 C 855 | ATOM 854 N TYR A 117 31.054 23.009 0.783 1.00 16.30 N 856 | ATOM 855 CA TYR A 117 31.018 24.403 1.164 1.00 15.74 C 857 | ATOM 856 C TYR A 117 29.695 25.048 0.712 1.00 15.67 C 858 | ATOM 857 O TYR A 117 29.329 24.967 -0.406 1.00 16.02 O 859 | ATOM 858 CB TYR A 117 32.219 25.245 0.573 1.00 15.32 C 860 | ATOM 859 CG TYR A 117 32.055 26.717 0.892 1.00 16.19 C 861 | ATOM 860 CD1 TYR A 117 32.431 27.232 2.089 1.00 14.98 C 862 | ATOM 861 CD2 TYR A 117 31.495 27.578 -0.023 1.00 16.18 C 863 | ATOM 862 CE1 TYR A 117 32.223 28.542 2.390 1.00 15.55 C 864 | ATOM 863 CE2 TYR A 117 31.292 28.895 0.259 1.00 17.53 C 865 | ATOM 864 CZ TYR A 117 31.658 29.381 1.463 1.00 16.75 C 866 | ATOM 865 OH TYR A 117 31.460 30.686 1.745 1.00 19.68 O 867 | ATOM 866 N GLY A 118 29.001 25.688 1.626 1.00 15.41 N 868 | ATOM 867 CA GLY A 118 27.768 26.364 1.319 1.00 16.59 C 869 | ATOM 868 C GLY A 118 26.560 25.519 0.971 1.00 16.28 C 870 | ATOM 869 O GLY A 118 25.618 26.050 0.538 1.00 20.53 O 871 | ATOM 870 N LYS A 119 26.607 24.226 1.213 1.00 14.85 N 872 | ATOM 871 CA LYS A 119 25.505 23.357 0.874 1.00 15.97 C 873 | ATOM 872 C LYS A 119 24.522 23.148 2.006 1.00 14.52 C 874 | ATOM 873 O LYS A 119 23.470 22.679 1.766 1.00 16.82 O 875 | ATOM 874 CB LYS A 119 26.025 21.995 0.413 1.00 17.97 C 876 | ATOM 875 CG LYS A 119 26.708 21.965 -0.957 1.00 23.04 C 877 | ATOM 876 CD LYS A 119 26.189 20.813 -1.787 1.00 30.41 C 878 | ATOM 877 CE LYS A 119 26.828 20.701 -3.158 1.00 37.34 C 879 | ATOM 878 NZ LYS A 119 26.006 21.381 -4.198 1.00 40.33 N1+ 880 | ATOM 879 N VAL A 120 24.899 23.497 3.216 1.00 14.47 N 881 | ATOM 880 CA VAL A 120 24.099 23.198 4.378 1.00 13.83 C 882 | ATOM 881 C VAL A 120 23.517 24.393 5.100 1.00 16.07 C 883 | ATOM 882 O VAL A 120 24.150 25.363 5.248 1.00 17.23 O 884 | ATOM 883 CB VAL A 120 24.989 22.412 5.401 1.00 14.34 C 885 | ATOM 884 CG1 VAL A 120 24.208 21.946 6.627 1.00 15.26 C 886 | ATOM 885 CG2 VAL A 120 25.661 21.228 4.780 1.00 17.75 C 887 | ATOM 886 N ASP A 121 22.273 24.265 5.512 1.00 14.03 N 888 | ATOM 887 CA ASP A 121 21.671 25.211 6.370 1.00 14.92 C 889 | ATOM 888 C ASP A 121 21.956 24.620 7.755 1.00 16.24 C 890 | ATOM 889 O ASP A 121 21.296 23.742 8.225 1.00 15.51 O 891 | ATOM 890 CB ASP A 121 20.160 25.341 6.118 1.00 15.64 C 892 | ATOM 891 CG ASP A 121 19.513 26.393 6.985 1.00 16.03 C 893 | ATOM 892 OD1 ASP A 121 20.104 26.738 7.965 1.00 17.08 O 894 | ATOM 893 OD2 ASP A 121 18.430 26.815 6.682 1.00 16.29 O1- 895 | ATOM 894 N THR A 122 22.911 25.203 8.455 1.00 15.18 N 896 | ATOM 895 CA THR A 122 23.322 24.700 9.763 1.00 15.22 C 897 | ATOM 896 C THR A 122 22.336 24.937 10.883 1.00 15.29 C 898 | ATOM 897 O THR A 122 22.503 24.472 11.940 1.00 16.05 O 899 | ATOM 898 CB THR A 122 24.719 25.218 10.171 1.00 17.92 C 900 | ATOM 899 CG2 THR A 122 25.755 24.806 9.161 1.00 19.59 C 901 | ATOM 900 OG1 THR A 122 24.683 26.625 10.261 1.00 20.95 O 902 | ATOM 901 N ALA A 123 21.265 25.637 10.599 1.00 13.57 N 903 | ATOM 902 CA ALA A 123 20.228 25.858 11.576 1.00 14.45 C 904 | ATOM 903 C ALA A 123 19.164 24.742 11.497 1.00 13.77 C 905 | ATOM 904 O ALA A 123 18.254 24.758 12.229 1.00 15.70 O 906 | ATOM 905 CB ALA A 123 19.565 27.199 11.352 1.00 15.18 C 907 | ATOM 906 N ARG A 124 19.330 23.821 10.563 1.00 13.17 N 908 | ATOM 907 CA ARG A 124 18.358 22.744 10.351 1.00 13.34 C 909 | ATOM 908 C ARG A 124 19.036 21.380 10.364 1.00 13.34 C 910 | ATOM 909 O ARG A 124 19.580 20.957 9.427 1.00 13.11 O 911 | ATOM 910 CB ARG A 124 17.547 22.968 9.071 1.00 13.88 C 912 | ATOM 911 CG ARG A 124 16.878 24.342 9.061 1.00 14.66 C 913 | ATOM 912 CD ARG A 124 15.929 24.536 7.905 1.00 14.45 C 914 | ATOM 913 NE ARG A 124 16.552 24.602 6.609 1.00 13.49 N 915 | ATOM 914 CZ ARG A 124 16.412 23.705 5.659 1.00 14.31 C 916 | ATOM 915 NH1 ARG A 124 15.703 22.625 5.858 1.00 14.72 N1+ 917 | ATOM 916 NH2 ARG A 124 16.956 23.904 4.506 1.00 15.33 N 918 | ATOM 917 N MET A 125 18.944 20.736 11.517 1.00 12.03 N 919 | ATOM 918 CA MET A 125 19.640 19.481 11.762 1.00 12.26 C 920 | ATOM 919 C MET A 125 18.773 18.392 12.367 1.00 12.45 C 921 | ATOM 920 O MET A 125 17.829 18.664 13.040 1.00 13.69 O 922 | ATOM 921 CB MET A 125 20.836 19.744 12.676 1.00 12.78 C 923 | ATOM 922 CG MET A 125 21.948 20.526 12.007 1.00 14.70 C 924 | ATOM 923 SD MET A 125 23.274 20.815 13.207 1.00 15.42 S 925 | ATOM 924 CE MET A 125 24.549 21.238 12.012 1.00 15.32 C 926 | ATOM 925 N GLY A 126 19.146 17.158 12.073 1.00 11.64 N 927 | ATOM 926 CA GLY A 126 18.429 15.996 12.529 1.00 12.02 C 928 | ATOM 927 C GLY A 126 19.336 14.882 12.976 1.00 10.52 C 929 | ATOM 928 O GLY A 126 20.456 14.857 12.647 1.00 11.51 O 930 | ATOM 929 N VAL A 127 18.766 13.986 13.759 1.00 10.70 N 931 | ATOM 930 CA VAL A 127 19.502 12.869 14.349 1.00 9.89 C 932 | ATOM 931 C VAL A 127 18.804 11.514 14.180 1.00 10.14 C 933 | ATOM 932 O VAL A 127 17.656 11.422 14.340 1.00 10.90 O 934 | ATOM 933 CB VAL A 127 19.796 13.100 15.858 1.00 10.05 C 935 | ATOM 934 CG1 VAL A 127 20.834 14.182 16.008 1.00 11.17 C 936 | ATOM 935 CG2 VAL A 127 18.510 13.422 16.660 1.00 10.72 C 937 | ATOM 936 N MET A 128 19.564 10.516 13.785 1.00 10.34 N 938 | ATOM 937 CA MET A 128 19.057 9.166 13.625 1.00 10.48 C 939 | ATOM 938 C MET A 128 20.077 8.177 14.143 1.00 10.46 C 940 | ATOM 939 O MET A 128 21.173 8.508 14.374 1.00 10.57 O 941 | ATOM 940 CB MET A 128 18.740 8.868 12.166 1.00 10.45 C 942 | ATOM 941 CG MET A 128 17.600 9.739 11.641 1.00 10.74 C 943 | ATOM 942 SD MET A 128 17.329 9.493 9.850 1.00 12.35 S 944 | ATOM 943 CE MET A 128 16.739 7.761 9.799 1.00 12.79 C 945 | ATOM 944 N GLY A 129 19.650 6.942 14.336 1.00 10.78 N 946 | ATOM 945 CA GLY A 129 20.570 5.955 14.817 1.00 11.52 C 947 | ATOM 946 C GLY A 129 19.912 4.680 15.280 1.00 11.18 C 948 | ATOM 947 O GLY A 129 18.803 4.661 15.620 1.00 11.86 O 949 | ATOM 948 N TRP A 130 20.727 3.662 15.364 1.00 11.57 N 950 | ATOM 949 CA TRP A 130 20.263 2.345 15.727 1.00 11.84 C 951 | ATOM 950 C TRP A 130 20.645 1.907 17.124 1.00 11.85 C 952 | ATOM 951 O TRP A 130 21.752 1.972 17.475 1.00 12.44 O 953 | ATOM 952 CB TRP A 130 20.810 1.298 14.703 1.00 12.35 C 954 | ATOM 953 CG TRP A 130 20.476 -0.166 15.041 1.00 11.68 C 955 | ATOM 954 CD1 TRP A 130 19.301 -0.642 15.468 1.00 12.81 C 956 | ATOM 955 CD2 TRP A 130 21.358 -1.288 14.974 1.00 13.14 C 957 | ATOM 956 CE2 TRP A 130 20.635 -2.395 15.378 1.00 12.13 C 958 | ATOM 957 CE3 TRP A 130 22.675 -1.460 14.577 1.00 14.25 C 959 | ATOM 958 NE1 TRP A 130 19.381 -1.976 15.689 1.00 12.97 N 960 | ATOM 959 CZ2 TRP A 130 21.192 -3.664 15.429 1.00 14.44 C 961 | ATOM 960 CZ3 TRP A 130 23.213 -2.683 14.628 1.00 15.32 C 962 | ATOM 961 CH2 TRP A 130 22.476 -3.776 15.058 1.00 15.26 C 963 | ATOM 962 N ALA A 131 19.631 1.485 17.872 1.00 11.08 N 964 | ATOM 963 CA ALA A 131 19.785 0.802 19.168 1.00 12.32 C 965 | ATOM 964 C ALA A 131 20.413 1.694 20.206 1.00 12.29 C 966 | ATOM 965 O ALA A 131 19.866 2.670 20.503 1.00 12.20 O 967 | ATOM 966 CB ALA A 131 20.557 -0.500 18.938 1.00 12.76 C 968 | ATOM 967 N MET A 132 21.616 1.422 20.694 1.00 11.56 N 969 | ATOM 968 CA MET A 132 22.283 2.386 21.580 1.00 12.05 C 970 | ATOM 969 C MET A 132 22.501 3.734 20.840 1.00 11.76 C 971 | ATOM 970 O MET A 132 22.501 4.732 21.453 1.00 12.42 O 972 | ATOM 971 CB MET A 132 23.628 1.876 22.109 1.00 13.60 C 973 | ATOM 972 CG MET A 132 23.497 0.945 23.292 1.00 13.94 C 974 | ATOM 973 SD MET A 132 25.181 0.694 23.935 1.00 15.76 S 975 | ATOM 974 CE MET A 132 24.905 -0.702 25.043 1.00 21.33 C 976 | ATOM 975 N GLY A 133 22.642 3.706 19.529 1.00 10.97 N 977 | ATOM 976 CA GLY A 133 22.750 4.912 18.725 1.00 12.28 C 978 | ATOM 977 C GLY A 133 21.401 5.619 18.609 1.00 12.16 C 979 | ATOM 978 O GLY A 133 21.353 6.766 18.375 1.00 11.86 O 980 | ATOM 979 N GLY A 134 20.333 4.859 18.748 1.00 11.88 N 981 | ATOM 980 CA GLY A 134 18.961 5.370 18.812 1.00 11.28 C 982 | ATOM 981 C GLY A 134 18.751 6.077 20.150 1.00 11.28 C 983 | ATOM 982 O GLY A 134 18.227 7.126 20.201 1.00 12.21 O 984 | ATOM 983 N GLY A 135 19.238 5.456 21.220 1.00 12.07 N 985 | ATOM 984 CA GLY A 135 19.228 6.078 22.536 1.00 12.67 C 986 | ATOM 985 C GLY A 135 20.058 7.348 22.495 1.00 12.62 C 987 | ATOM 986 O GLY A 135 19.674 8.343 22.970 1.00 13.01 O 988 | ATOM 987 N GLY A 136 21.191 7.269 21.835 1.00 11.75 N 989 | ATOM 988 CA GLY A 136 22.024 8.436 21.665 1.00 12.33 C 990 | ATOM 989 C GLY A 136 21.315 9.579 20.943 1.00 11.40 C 991 | ATOM 990 O GLY A 136 21.513 10.683 21.268 1.00 11.54 O 992 | ATOM 991 N SER A 137 20.523 9.242 19.954 1.00 10.43 N 993 | ATOM 992 CA SER A 137 19.761 10.232 19.201 1.00 10.58 C 994 | ATOM 993 C SER A 137 18.739 10.926 20.103 1.00 11.53 C 995 | ATOM 994 O SER A 137 18.566 12.096 20.027 1.00 11.44 O 996 | ATOM 995 CB SER A 137 19.033 9.560 18.065 1.00 10.04 C 997 | ATOM 996 OG SER A 137 19.935 9.091 17.096 1.00 10.99 O 998 | ATOM 997 N LEU A 138 18.120 10.164 20.978 1.00 10.76 N 999 | ATOM 998 CA LEU A 138 17.161 10.690 21.921 1.00 11.56 C 1000 | ATOM 999 C LEU A 138 17.831 11.579 22.968 1.00 12.14 C 1001 | ATOM 1000 O LEU A 138 17.308 12.570 23.313 1.00 12.24 O 1002 | ATOM 1001 CB LEU A 138 16.344 9.557 22.570 1.00 12.06 C 1003 | ATOM 1002 CG LEU A 138 15.422 8.803 21.623 1.00 13.89 C 1004 | ATOM 1003 CD1 LEU A 138 15.172 7.412 22.147 1.00 16.10 C 1005 | ATOM 1004 CD2 LEU A 138 14.107 9.553 21.489 1.00 19.18 C 1006 | ATOM 1005 N ILE A 139 19.005 11.197 23.413 1.00 11.26 N 1007 | ATOM 1006 CA ILE A 139 19.782 12.016 24.323 1.00 11.91 C 1008 | ATOM 1007 C ILE A 139 20.167 13.325 23.617 1.00 11.27 C 1009 | ATOM 1008 O ILE A 139 20.053 14.369 24.166 1.00 12.40 O 1010 | ATOM 1009 CB ILE A 139 21.034 11.239 24.790 1.00 12.10 C 1011 | ATOM 1010 CG1 ILE A 139 20.617 10.055 25.699 1.00 12.00 C 1012 | ATOM 1011 CG2 ILE A 139 21.962 12.159 25.546 1.00 12.26 C 1013 | ATOM 1012 CD1 ILE A 139 21.724 9.062 25.996 1.00 13.40 C 1014 | ATOM 1013 N SER A 140 20.562 13.226 22.368 1.00 10.67 N 1015 | ATOM 1014 CA SER A 140 20.903 14.420 21.593 1.00 11.35 C 1016 | ATOM 1015 C SER A 140 19.721 15.364 21.508 1.00 11.78 C 1017 | ATOM 1016 O SER A 140 19.854 16.528 21.688 1.00 11.45 O 1018 | ATOM 1017 CB SER A 140 21.355 14.056 20.170 1.00 11.07 C 1019 | ATOM 1018 OG SER A 140 22.608 13.385 20.146 1.00 11.61 O 1020 | ATOM 1019 N ALA A 141 18.562 14.817 21.232 1.00 11.12 N 1021 | ATOM 1020 CA ALA A 141 17.356 15.600 21.147 1.00 11.62 C 1022 | ATOM 1021 C ALA A 141 16.980 16.236 22.476 1.00 12.50 C 1023 | ATOM 1022 O ALA A 141 16.608 17.355 22.503 1.00 14.04 O 1024 | ATOM 1023 CB ALA A 141 16.216 14.746 20.629 1.00 11.58 C 1025 | ATOM 1024 N ALA A 142 17.104 15.503 23.544 1.00 12.29 N 1026 | ATOM 1025 CA ALA A 142 16.812 16.013 24.862 1.00 13.08 C 1027 | ATOM 1026 C ALA A 142 17.710 17.173 25.262 1.00 15.25 C 1028 | ATOM 1027 O ALA A 142 17.266 18.117 25.823 1.00 17.84 O 1029 | ATOM 1028 CB ALA A 142 16.953 14.905 25.880 1.00 14.42 C 1030 | ATOM 1029 N ASN A 143 18.970 17.088 24.905 1.00 12.64 N 1031 | ATOM 1030 CA ASN A 143 19.946 18.092 25.273 1.00 14.01 C 1032 | ATOM 1031 C ASN A 143 20.032 19.258 24.308 1.00 14.04 C 1033 | ATOM 1032 O ASN A 143 20.554 20.250 24.641 1.00 14.93 O 1034 | ATOM 1033 CB ASN A 143 21.319 17.457 25.393 1.00 14.58 C 1035 | ATOM 1034 CG ASN A 143 21.441 16.557 26.597 1.00 17.87 C 1036 | ATOM 1035 ND2 ASN A 143 20.864 16.939 27.648 1.00 21.04 N 1037 | ATOM 1036 OD1 ASN A 143 22.098 15.583 26.554 1.00 24.37 O 1038 | ATOM 1037 N ASN A 144 19.569 19.066 23.093 1.00 12.88 N 1039 | ATOM 1038 CA ASN A 144 19.639 20.073 22.063 1.00 12.54 C 1040 | ATOM 1039 C ASN A 144 18.302 20.221 21.408 1.00 12.66 C 1041 | ATOM 1040 O ASN A 144 18.118 19.808 20.322 1.00 12.54 O 1042 | ATOM 1041 CB ASN A 144 20.709 19.699 21.031 1.00 11.32 C 1043 | ATOM 1042 CG ASN A 144 22.060 19.445 21.673 1.00 12.48 C 1044 | ATOM 1043 ND2 ASN A 144 22.374 18.202 21.933 1.00 12.94 N 1045 | ATOM 1044 OD1 ASN A 144 22.762 20.357 21.968 1.00 14.11 O 1046 | ATOM 1045 N PRO A 145 17.387 20.950 22.050 1.00 12.88 N 1047 | ATOM 1046 CA PRO A 145 16.033 21.131 21.516 1.00 13.82 C 1048 | ATOM 1047 C PRO A 145 15.888 21.905 20.215 1.00 12.63 C 1049 | ATOM 1048 O PRO A 145 14.840 21.872 19.677 1.00 14.62 O 1050 | ATOM 1049 CB PRO A 145 15.302 21.825 22.663 1.00 15.24 C 1051 | ATOM 1050 CG PRO A 145 16.373 22.542 23.382 1.00 16.19 C 1052 | ATOM 1051 CD PRO A 145 17.534 21.612 23.362 1.00 15.07 C 1053 | ATOM 1052 N SER A 146 16.955 22.516 19.707 1.00 12.74 N 1054 | ATOM 1053 CA SER A 146 16.937 23.183 18.420 1.00 13.86 C 1055 | ATOM 1054 C SER A 146 17.014 22.214 17.259 1.00 12.20 C 1056 | ATOM 1055 O SER A 146 16.814 22.551 16.191 1.00 13.79 O 1057 | ATOM 1056 CB SER A 146 18.089 24.148 18.275 1.00 16.21 C 1058 | ATOM 1057 OG SER A 146 17.834 25.209 19.116 1.00 21.33 O 1059 | ATOM 1058 N LEU A 147 17.303 20.961 17.529 1.00 11.89 N 1060 | ATOM 1059 CA LEU A 147 17.285 19.948 16.486 1.00 11.38 C 1061 | ATOM 1060 C LEU A 147 15.862 19.901 15.946 1.00 11.43 C 1062 | ATOM 1061 O LEU A 147 14.944 20.023 16.673 1.00 12.58 O 1063 | ATOM 1062 CB LEU A 147 17.699 18.582 17.054 1.00 11.76 C 1064 | ATOM 1063 CG LEU A 147 19.189 18.400 17.339 1.00 11.99 C 1065 | ATOM 1064 CD1 LEU A 147 19.435 17.166 18.193 1.00 11.79 C 1066 | ATOM 1065 CD2 LEU A 147 19.985 18.353 16.035 1.00 12.66 C 1067 | ATOM 1066 N LYS A 148 15.742 19.749 14.649 1.00 11.72 N 1068 | ATOM 1067 CA LYS A 148 14.429 19.791 14.030 1.00 12.30 C 1069 | ATOM 1068 C LYS A 148 13.666 18.464 13.904 1.00 12.42 C 1070 | ATOM 1069 O LYS A 148 12.503 18.481 13.747 1.00 12.28 O 1071 | ATOM 1070 CB LYS A 148 14.519 20.529 12.701 1.00 14.92 C 1072 | ATOM 1071 CG LYS A 148 14.871 22.011 12.902 1.00 19.90 C 1073 | ATOM 1072 CD LYS A 148 14.549 22.825 11.694 1.00 26.91 C 1074 | ATOM 1073 CE LYS A 148 13.054 23.029 11.509 1.00 22.84 C 1075 | ATOM 1074 NZ LYS A 148 12.883 23.602 10.193 1.00 23.76 N1+ 1076 | ATOM 1075 N ALA A 149 14.379 17.358 13.998 1.00 11.28 N 1077 | ATOM 1076 CA ALA A 149 13.784 16.047 13.907 1.00 10.95 C 1078 | ATOM 1077 C ALA A 149 14.716 14.985 14.405 1.00 11.09 C 1079 | ATOM 1078 O ALA A 149 15.875 15.122 14.354 1.00 11.74 O 1080 | ATOM 1079 CB ALA A 149 13.430 15.721 12.465 1.00 12.97 C 1081 | ATOM 1080 N ALA A 150 14.104 13.902 14.856 1.00 10.72 N 1082 | ATOM 1081 CA ALA A 150 14.770 12.707 15.289 1.00 11.24 C 1083 | ATOM 1082 C ALA A 150 14.014 11.484 14.797 1.00 11.50 C 1084 | ATOM 1083 O ALA A 150 12.840 11.450 14.806 1.00 11.62 O 1085 | ATOM 1084 CB ALA A 150 14.913 12.658 16.803 1.00 12.21 C 1086 | ATOM 1085 N ALA A 151 14.756 10.501 14.328 1.00 11.19 N 1087 | ATOM 1086 CA ALA A 151 14.168 9.251 13.861 1.00 11.51 C 1088 | ATOM 1087 C ALA A 151 15.006 8.015 14.180 1.00 12.51 C 1089 | ATOM 1088 O ALA A 151 15.422 7.330 13.299 1.00 13.26 O 1090 | ATOM 1089 CB ALA A 151 13.829 9.326 12.362 1.00 12.97 C 1091 | ATOM 1090 N PRO A 152 15.153 7.700 15.478 1.00 11.31 N 1092 | ATOM 1091 CA PRO A 152 15.889 6.513 15.905 1.00 12.41 C 1093 | ATOM 1092 C PRO A 152 15.149 5.219 15.591 1.00 12.12 C 1094 | ATOM 1093 O PRO A 152 13.971 5.200 15.449 1.00 12.70 O 1095 | ATOM 1094 CB PRO A 152 16.011 6.714 17.407 1.00 13.70 C 1096 | ATOM 1095 CG PRO A 152 14.754 7.389 17.769 1.00 14.17 C 1097 | ATOM 1096 CD PRO A 152 14.574 8.393 16.647 1.00 12.16 C 1098 | ATOM 1097 N GLN A 153 15.914 4.161 15.516 1.00 10.81 N 1099 | ATOM 1098 CA GLN A 153 15.401 2.828 15.219 1.00 10.69 C 1100 | ATOM 1099 C GLN A 153 15.868 1.851 16.286 1.00 10.70 C 1101 | ATOM 1100 O GLN A 153 16.973 1.847 16.674 1.00 11.51 O 1102 | ATOM 1101 CB GLN A 153 15.828 2.378 13.807 1.00 12.50 C 1103 | ATOM 1102 CG GLN A 153 17.311 2.245 13.587 1.00 12.66 C 1104 | ATOM 1103 CD GLN A 153 17.664 2.195 12.127 1.00 14.40 C 1105 | ATOM 1104 NE2 GLN A 153 18.334 1.161 11.746 1.00 14.33 N 1106 | ATOM 1105 OE1 GLN A 153 17.360 3.059 11.396 1.00 13.93 O 1107 | ATOM 1106 N ALA A 154 14.916 1.082 16.769 1.00 12.14 N 1108 | ATOM 1107 CA ALA A 154 15.095 0.090 17.836 1.00 12.74 C 1109 | ATOM 1108 C ALA A 154 15.896 0.674 18.989 1.00 12.16 C 1110 | ATOM 1109 O ALA A 154 16.789 0.052 19.447 1.00 12.99 O 1111 | ATOM 1110 CB ALA A 154 15.770 -1.165 17.310 1.00 13.27 C 1112 | ATOM 1111 N PRO A 155 15.497 1.852 19.482 1.00 12.66 N 1113 | ATOM 1112 CA PRO A 155 16.275 2.531 20.503 1.00 12.52 C 1114 | ATOM 1113 C PRO A 155 16.337 1.863 21.837 1.00 13.92 C 1115 | ATOM 1114 O PRO A 155 15.464 1.171 22.223 1.00 15.87 O 1116 | ATOM 1115 CB PRO A 155 15.533 3.840 20.690 1.00 13.77 C 1117 | ATOM 1116 CG PRO A 155 14.134 3.527 20.356 1.00 14.22 C 1118 | ATOM 1117 CD PRO A 155 14.228 2.554 19.213 1.00 13.77 C 1119 | ATOM 1118 N TRP A 156 17.450 2.079 22.488 1.00 14.05 N 1120 | ATOM 1119 CA TRP A 156 17.667 1.625 23.848 1.00 14.43 C 1121 | ATOM 1120 C TRP A 156 18.492 2.659 24.638 1.00 13.99 C 1122 | ATOM 1121 O TRP A 156 19.374 3.222 24.112 1.00 13.80 O 1123 | ATOM 1122 CB TRP A 156 18.377 0.251 23.902 1.00 15.87 C 1124 | ATOM 1123 CG TRP A 156 18.587 -0.246 25.348 1.00 17.21 C 1125 | ATOM 1124 CD1 TRP A 156 17.706 -0.927 26.114 1.00 19.31 C 1126 | ATOM 1125 CD2 TRP A 156 19.688 0.069 26.199 1.00 17.52 C 1127 | ATOM 1126 CE2 TRP A 156 19.430 -0.490 27.438 1.00 18.93 C 1128 | ATOM 1127 CE3 TRP A 156 20.866 0.776 26.027 1.00 19.20 C 1129 | ATOM 1128 NE1 TRP A 156 18.213 -1.101 27.363 1.00 20.07 N 1130 | ATOM 1129 CZ2 TRP A 156 20.312 -0.385 28.487 1.00 21.16 C 1131 | ATOM 1130 CZ3 TRP A 156 21.733 0.872 27.068 1.00 21.39 C 1132 | ATOM 1131 CH2 TRP A 156 21.453 0.317 28.276 1.00 20.34 C 1133 | ATOM 1132 N ASP A 157 18.139 2.821 25.883 1.00 15.17 N 1134 | ATOM 1133 CA ASP A 157 18.919 3.590 26.859 1.00 15.55 C 1135 | ATOM 1134 C ASP A 157 18.649 2.906 28.213 1.00 17.11 C 1136 | ATOM 1135 O ASP A 157 17.687 2.260 28.394 1.00 19.17 O 1137 | ATOM 1136 CB ASP A 157 18.565 5.086 26.870 1.00 17.47 C 1138 | ATOM 1137 CG ASP A 157 19.556 5.937 27.626 1.00 22.69 C 1139 | ATOM 1138 OD1 ASP A 157 20.729 5.677 27.613 1.00 25.83 O 1140 | ATOM 1139 OD2 ASP A 157 19.137 6.811 28.308 1.00 31.11 O1- 1141 | ATOM 1140 N SER A 158 19.484 3.158 29.198 1.00 19.72 N 1142 | ATOM 1141 CA SER A 158 19.228 2.571 30.498 1.00 20.65 C 1143 | ATOM 1142 C SER A 158 18.038 3.245 31.173 1.00 23.39 C 1144 | ATOM 1143 O SER A 158 17.470 2.717 32.068 1.00 27.12 O 1145 | ATOM 1144 CB SER A 158 20.462 2.614 31.396 1.00 22.89 C 1146 | ATOM 1145 OG SER A 158 20.951 3.890 31.441 1.00 25.62 O 1147 | ATOM 1146 N SER A 159 17.692 4.416 30.714 1.00 21.03 N 1148 | ATOM 1147 CA SER A 159 16.532 5.116 31.241 1.00 22.18 C 1149 | ATOM 1148 C SER A 159 15.503 5.217 30.120 1.00 19.44 C 1150 | ATOM 1149 O SER A 159 15.871 5.287 29.023 1.00 19.76 O 1151 | ATOM 1150 CB SER A 159 16.943 6.518 31.698 1.00 26.40 C 1152 | ATOM 1151 OG SER A 159 15.850 7.418 31.730 1.00 32.06 O 1153 | ATOM 1152 N THR A 160 14.221 5.230 30.429 1.00 17.12 N 1154 | ATOM 1153 CA THR A 160 13.221 5.347 29.387 1.00 17.28 C 1155 | ATOM 1154 C THR A 160 12.460 6.641 29.465 1.00 18.96 C 1156 | ATOM 1155 O THR A 160 11.581 6.845 28.707 1.00 19.19 O 1157 | ATOM 1156 CB THR A 160 12.191 4.203 29.414 1.00 22.94 C 1158 | ATOM 1157 CG2 THR A 160 12.837 2.877 29.142 1.00 24.54 C 1159 | ATOM 1158 OG1 THR A 160 11.547 4.186 30.667 1.00 24.48 O 1160 | ATOM 1159 N ASN A 161 12.806 7.515 30.383 1.00 14.27 N 1161 | ATOM 1160 CA ASN A 161 12.105 8.767 30.515 1.00 14.79 C 1162 | ATOM 1161 C ASN A 161 12.727 9.857 29.649 1.00 16.13 C 1163 | ATOM 1162 O ASN A 161 13.678 10.435 30.007 1.00 16.99 O 1164 | ATOM 1163 CB ASN A 161 12.007 9.205 32.011 1.00 16.53 C 1165 | ATOM 1164 CG ASN A 161 11.068 10.384 32.242 1.00 17.49 C 1166 | ATOM 1165 ND2 ASN A 161 10.973 11.190 31.312 1.00 15.14 N 1167 | ATOM 1166 OD1 ASN A 161 10.467 10.549 33.285 1.00 19.84 O 1168 | ATOM 1167 N PHE A 162 12.126 10.087 28.501 1.00 13.82 N 1169 | ATOM 1168 CA PHE A 162 12.548 11.094 27.566 1.00 13.37 C 1170 | ATOM 1169 C PHE A 162 11.511 12.189 27.461 1.00 14.23 C 1171 | ATOM 1170 O PHE A 162 11.371 12.831 26.504 1.00 14.47 O 1172 | ATOM 1171 CB PHE A 162 12.916 10.469 26.216 1.00 13.52 C 1173 | ATOM 1172 CG PHE A 162 14.249 9.808 26.236 1.00 12.62 C 1174 | ATOM 1173 CD1 PHE A 162 15.372 10.529 26.009 1.00 14.28 C 1175 | ATOM 1174 CD2 PHE A 162 14.376 8.503 26.580 1.00 14.97 C 1176 | ATOM 1175 CE1 PHE A 162 16.599 9.940 26.086 1.00 15.16 C 1177 | ATOM 1176 CE2 PHE A 162 15.606 7.914 26.645 1.00 18.32 C 1178 | ATOM 1177 CZ PHE A 162 16.717 8.644 26.394 1.00 17.18 C 1179 | ATOM 1178 N SER A 163 10.874 12.487 28.587 1.00 13.64 N 1180 | ATOM 1179 CA SER A 163 9.892 13.551 28.664 1.00 14.38 C 1181 | ATOM 1180 C SER A 163 10.409 14.935 28.359 1.00 15.40 C 1182 | ATOM 1181 O SER A 163 9.670 15.782 28.008 1.00 16.64 O 1183 | ATOM 1182 CB SER A 163 9.170 13.553 30.019 1.00 17.00 C 1184 | ATOM 1183 OG SER A 163 10.045 13.858 31.070 1.00 16.64 O 1185 | ATOM 1184 N SER A 164 11.714 15.123 28.428 1.00 15.16 N 1186 | ATOM 1185 CA SER A 164 12.278 16.409 28.083 1.00 16.29 C 1187 | ATOM 1186 C SER A 164 12.375 16.674 26.592 1.00 18.63 C 1188 | ATOM 1187 O SER A 164 12.664 17.751 26.215 1.00 21.37 O 1189 | ATOM 1188 CB SER A 164 13.678 16.570 28.664 1.00 20.99 C 1190 | ATOM 1189 OG SER A 164 14.494 15.564 28.238 1.00 26.92 O 1191 | ATOM 1190 N VAL A 165 12.121 15.680 25.769 1.00 15.83 N 1192 | ATOM 1191 CA VAL A 165 12.260 15.869 24.336 1.00 14.45 C 1193 | ATOM 1192 C VAL A 165 11.122 16.681 23.714 1.00 14.70 C 1194 | ATOM 1193 O VAL A 165 9.994 16.339 23.829 1.00 15.53 O 1195 | ATOM 1194 CB VAL A 165 12.400 14.506 23.641 1.00 13.65 C 1196 | ATOM 1195 CG1 VAL A 165 12.437 14.677 22.120 1.00 14.67 C 1197 | ATOM 1196 CG2 VAL A 165 13.641 13.743 24.138 1.00 15.31 C 1198 | ATOM 1197 N THR A 166 11.475 17.786 23.093 1.00 14.61 N 1199 | ATOM 1198 CA THR A 166 10.507 18.627 22.417 1.00 15.26 C 1200 | ATOM 1199 C THR A 166 10.640 18.540 20.886 1.00 14.56 C 1201 | ATOM 1200 O THR A 166 9.884 19.093 20.162 1.00 14.89 O 1202 | ATOM 1201 CB THR A 166 10.583 20.101 22.878 1.00 17.29 C 1203 | ATOM 1202 CG2 THR A 166 10.247 20.232 24.316 1.00 20.91 C 1204 | ATOM 1203 OG1 THR A 166 11.888 20.598 22.653 1.00 18.26 O 1205 | ATOM 1204 N VAL A 167 11.642 17.809 20.452 1.00 13.03 N 1206 | ATOM 1205 CA VAL A 167 11.934 17.606 19.048 1.00 12.23 C 1207 | ATOM 1206 C VAL A 167 10.976 16.555 18.429 1.00 12.44 C 1208 | ATOM 1207 O VAL A 167 10.730 15.588 19.026 1.00 12.61 O 1209 | ATOM 1208 CB VAL A 167 13.391 17.088 18.909 1.00 12.56 C 1210 | ATOM 1209 CG1 VAL A 167 13.729 16.717 17.471 1.00 12.28 C 1211 | ATOM 1210 CG2 VAL A 167 14.409 18.088 19.472 1.00 12.49 C 1212 | ATOM 1211 N PRO A 168 10.435 16.813 17.228 1.00 12.99 N 1213 | ATOM 1212 CA PRO A 168 9.604 15.812 16.533 1.00 12.44 C 1214 | ATOM 1213 C PRO A 168 10.376 14.508 16.346 1.00 12.58 C 1215 | ATOM 1214 O PRO A 168 11.316 14.463 15.659 1.00 12.27 O 1216 | ATOM 1215 CB PRO A 168 9.304 16.472 15.190 1.00 13.68 C 1217 | ATOM 1216 CG PRO A 168 9.326 17.921 15.513 1.00 14.04 C 1218 | ATOM 1217 CD PRO A 168 10.461 18.074 16.476 1.00 14.38 C 1219 | ATOM 1218 N THR A 169 9.856 13.471 16.956 1.00 11.43 N 1220 | ATOM 1219 CA THR A 169 10.498 12.192 17.042 1.00 10.81 C 1221 | ATOM 1220 C THR A 169 9.677 11.001 16.559 1.00 11.47 C 1222 | ATOM 1221 O THR A 169 8.661 10.727 17.064 1.00 12.21 O 1223 | ATOM 1222 CB THR A 169 10.945 11.935 18.522 1.00 11.32 C 1224 | ATOM 1223 CG2 THR A 169 11.667 10.625 18.664 1.00 13.48 C 1225 | ATOM 1224 OG1 THR A 169 11.827 12.954 18.951 1.00 12.05 O 1226 | ATOM 1225 N LEU A 170 10.223 10.317 15.572 1.00 10.96 N 1227 | ATOM 1226 CA LEU A 170 9.681 9.113 15.021 1.00 11.20 C 1228 | ATOM 1227 C LEU A 170 10.543 7.954 15.509 1.00 11.01 C 1229 | ATOM 1228 O LEU A 170 11.685 7.950 15.300 1.00 12.83 O 1230 | ATOM 1229 CB LEU A 170 9.729 9.166 13.479 1.00 11.24 C 1231 | ATOM 1230 CG LEU A 170 9.535 7.867 12.693 1.00 11.90 C 1232 | ATOM 1231 CD1 LEU A 170 8.201 7.218 12.965 1.00 12.29 C 1233 | ATOM 1232 CD2 LEU A 170 9.687 8.118 11.203 1.00 14.07 C 1234 | ATOM 1233 N ILE A 171 9.930 6.984 16.154 1.00 11.33 N 1235 | ATOM 1234 CA ILE A 171 10.611 5.812 16.627 1.00 11.31 C 1236 | ATOM 1235 C ILE A 171 10.225 4.595 15.800 1.00 11.77 C 1237 | ATOM 1236 O ILE A 171 9.096 4.258 15.690 1.00 13.23 O 1238 | ATOM 1237 CB ILE A 171 10.299 5.567 18.124 1.00 12.05 C 1239 | ATOM 1238 CG1 ILE A 171 10.981 6.631 18.998 1.00 14.09 C 1240 | ATOM 1239 CG2 ILE A 171 10.763 4.189 18.541 1.00 13.64 C 1241 | ATOM 1240 CD1 ILE A 171 10.553 6.606 20.446 1.00 15.54 C 1242 | ATOM 1241 N PHE A 172 11.206 3.991 15.172 1.00 11.92 N 1243 | ATOM 1242 CA PHE A 172 10.996 2.733 14.475 1.00 12.43 C 1244 | ATOM 1243 C PHE A 172 11.279 1.634 15.512 1.00 13.88 C 1245 | ATOM 1244 O PHE A 172 12.236 1.700 16.218 1.00 13.45 O 1246 | ATOM 1245 CB PHE A 172 11.936 2.556 13.293 1.00 13.42 C 1247 | ATOM 1246 CG PHE A 172 11.741 3.524 12.169 1.00 13.40 C 1248 | ATOM 1247 CD1 PHE A 172 10.721 3.392 11.281 1.00 14.56 C 1249 | ATOM 1248 CD2 PHE A 172 12.653 4.521 11.988 1.00 14.20 C 1250 | ATOM 1249 CE1 PHE A 172 10.605 4.271 10.232 1.00 14.96 C 1251 | ATOM 1250 CE2 PHE A 172 12.546 5.387 10.933 1.00 15.55 C 1252 | ATOM 1251 CZ PHE A 172 11.520 5.255 10.063 1.00 15.94 C 1253 | ATOM 1252 N ALA A 173 10.383 0.673 15.594 1.00 13.80 N 1254 | ATOM 1253 CA ALA A 173 10.489 -0.432 16.542 1.00 14.13 C 1255 | ATOM 1254 C ALA A 173 10.391 -1.754 15.789 1.00 14.58 C 1256 | ATOM 1255 O ALA A 173 9.807 -1.823 14.773 1.00 15.39 O 1257 | ATOM 1256 CB ALA A 173 9.414 -0.327 17.594 1.00 15.01 C 1258 | ATOM 1257 N CYS A 174 10.955 -2.795 16.366 1.00 15.48 N 1259 | ATOM 1258 CA CYS A 174 10.985 -4.107 15.740 1.00 15.78 C 1260 | ATOM 1259 C CYS A 174 10.248 -5.048 16.662 1.00 15.77 C 1261 | ATOM 1260 O CYS A 174 10.671 -5.307 17.732 1.00 15.66 O 1262 | ATOM 1261 CB CYS A 174 12.431 -4.526 15.510 1.00 14.29 C 1263 | ATOM 1262 SG CYS A 174 13.427 -3.362 14.466 1.00 18.90 S 1264 | ATOM 1263 N GLU A 175 9.127 -5.542 16.180 1.00 16.53 N 1265 | ATOM 1264 CA GLU A 175 8.215 -6.323 16.987 1.00 16.19 C 1266 | ATOM 1265 C GLU A 175 8.841 -7.403 17.834 1.00 17.41 C 1267 | ATOM 1266 O GLU A 175 8.546 -7.506 18.985 1.00 18.26 O 1268 | ATOM 1267 CB GLU A 175 7.106 -6.949 16.134 1.00 18.08 C 1269 | ATOM 1268 CG GLU A 175 6.057 -7.640 16.990 1.00 19.27 C 1270 | ATOM 1269 CD GLU A 175 4.980 -8.370 16.206 1.00 20.33 C 1271 | ATOM 1270 OE1 GLU A 175 5.225 -8.805 15.129 1.00 23.02 O 1272 | ATOM 1271 OE2 GLU A 175 3.892 -8.471 16.753 1.00 28.48 O1- 1273 | ATOM 1272 N ASN A 176 9.677 -8.192 17.213 1.00 16.12 N 1274 | ATOM 1273 CA ASN A 176 10.298 -9.304 17.906 1.00 18.89 C 1275 | ATOM 1274 C ASN A 176 11.718 -9.064 18.437 1.00 18.95 C 1276 | ATOM 1275 O ASN A 176 12.461 -9.971 18.599 1.00 20.62 O 1277 | ATOM 1276 CB ASN A 176 10.278 -10.545 17.029 1.00 19.53 C 1278 | ATOM 1277 CG ASN A 176 8.896 -11.075 16.804 1.00 22.14 C 1279 | ATOM 1278 ND2 ASN A 176 8.775 -11.892 15.853 1.00 28.37 N 1280 | ATOM 1279 OD1 ASN A 176 7.994 -10.748 17.477 1.00 26.38 O 1281 | ATOM 1280 N ASP A 177 12.027 -7.825 18.731 1.00 16.82 N 1282 | ATOM 1281 CA ASP A 177 13.315 -7.447 19.244 1.00 16.33 C 1283 | ATOM 1282 C ASP A 177 13.553 -8.131 20.578 1.00 15.96 C 1284 | ATOM 1283 O ASP A 177 12.843 -7.973 21.445 1.00 17.03 O 1285 | ATOM 1284 CB ASP A 177 13.348 -5.914 19.395 1.00 16.00 C 1286 | ATOM 1285 CG ASP A 177 14.739 -5.358 19.496 1.00 16.59 C 1287 | ATOM 1286 OD1 ASP A 177 15.569 -6.014 20.086 1.00 16.73 O 1288 | ATOM 1287 OD2 ASP A 177 14.968 -4.273 18.994 1.00 15.44 O1- 1289 | ATOM 1288 N SER A 178 14.638 -8.861 20.668 1.00 17.08 N 1290 | ATOM 1289 CA SER A 178 15.014 -9.560 21.884 1.00 18.60 C 1291 | ATOM 1290 C SER A 178 16.187 -8.875 22.609 1.00 19.11 C 1292 | ATOM 1291 O SER A 178 16.527 -9.234 23.679 1.00 20.58 O 1293 | ATOM 1292 CB SER A 178 15.358 -11.017 21.560 1.00 21.71 C 1294 | ATOM 1293 OG SER A 178 16.587 -11.075 20.938 1.00 31.61 O 1295 | ATOM 1294 N ILE A 179 16.792 -7.898 21.971 1.00 17.35 N 1296 | ATOM 1295 CA ILE A 179 17.897 -7.152 22.529 1.00 17.74 C 1297 | ATOM 1296 C ILE A 179 17.402 -5.920 23.286 1.00 17.24 C 1298 | ATOM 1297 O ILE A 179 17.753 -5.715 24.397 1.00 18.53 O 1299 | ATOM 1298 CB ILE A 179 18.933 -6.840 21.452 1.00 19.30 C 1300 | ATOM 1299 CG1 ILE A 179 19.618 -8.150 21.085 1.00 22.82 C 1301 | ATOM 1300 CG2 ILE A 179 19.987 -5.896 21.983 1.00 17.86 C 1302 | ATOM 1301 CD1 ILE A 179 20.201 -8.200 19.722 1.00 25.99 C 1303 | ATOM 1302 N ALA A 180 16.573 -5.135 22.633 1.00 17.34 N 1304 | ATOM 1303 CA ALA A 180 15.908 -3.992 23.206 1.00 17.95 C 1305 | ATOM 1304 C ALA A 180 14.421 -4.230 22.983 1.00 17.49 C 1306 | ATOM 1305 O ALA A 180 13.868 -3.672 22.103 1.00 16.86 O 1307 | ATOM 1306 CB ALA A 180 16.333 -2.721 22.507 1.00 17.69 C 1308 | ATOM 1307 N PRO A 181 13.817 -5.070 23.811 1.00 17.30 N 1309 | ATOM 1308 CA PRO A 181 12.421 -5.387 23.558 1.00 17.06 C 1310 | ATOM 1309 C PRO A 181 11.518 -4.169 23.549 1.00 15.63 C 1311 | ATOM 1310 O PRO A 181 11.651 -3.305 24.309 1.00 16.53 O 1312 | ATOM 1311 CB PRO A 181 12.064 -6.372 24.677 1.00 20.52 C 1313 | ATOM 1312 CG PRO A 181 13.363 -6.898 25.131 1.00 20.63 C 1314 | ATOM 1313 CD PRO A 181 14.313 -5.767 25.002 1.00 19.38 C 1315 | ATOM 1314 N VAL A 182 10.552 -4.194 22.663 1.00 16.08 N 1316 | ATOM 1315 CA VAL A 182 9.653 -3.082 22.485 1.00 15.99 C 1317 | ATOM 1316 C VAL A 182 8.938 -2.692 23.763 1.00 15.50 C 1318 | ATOM 1317 O VAL A 182 8.855 -1.569 24.087 1.00 16.12 O 1319 | ATOM 1318 CB VAL A 182 8.602 -3.405 21.421 1.00 16.40 C 1320 | ATOM 1319 CG1 VAL A 182 7.545 -2.316 21.392 1.00 19.18 C 1321 | ATOM 1320 CG2 VAL A 182 9.241 -3.540 20.055 1.00 17.80 C 1322 | ATOM 1321 N ASN A 183 8.482 -3.678 24.518 1.00 16.81 N 1323 | ATOM 1322 CA ASN A 183 7.701 -3.369 25.705 1.00 18.08 C 1324 | ATOM 1323 C ASN A 183 8.495 -2.817 26.878 1.00 16.86 C 1325 | ATOM 1324 O ASN A 183 7.955 -2.252 27.725 1.00 19.26 O 1326 | ATOM 1325 CB ASN A 183 6.835 -4.570 26.111 1.00 22.67 C 1327 | ATOM 1326 CG ASN A 183 5.651 -4.784 25.155 1.00 33.46 C 1328 | ATOM 1327 ND2 ASN A 183 5.240 -6.012 25.001 1.00 34.41 N 1329 | ATOM 1328 OD1 ASN A 183 5.131 -3.858 24.596 1.00 30.79 O 1330 | ATOM 1329 N SER A 184 9.796 -3.002 26.863 1.00 16.65 N 1331 | ATOM 1330 CA SER A 184 10.637 -2.482 27.911 1.00 18.02 C 1332 | ATOM 1331 C SER A 184 11.538 -1.349 27.483 1.00 18.28 C 1333 | ATOM 1332 O SER A 184 12.112 -0.688 28.272 1.00 20.00 O 1334 | ATOM 1333 CB SER A 184 11.489 -3.606 28.487 1.00 20.86 C 1335 | ATOM 1334 OG SER A 184 12.362 -4.137 27.569 1.00 24.87 O 1336 | ATOM 1335 N SER A 185 11.621 -1.157 26.187 1.00 16.13 N 1337 | ATOM 1336 CA ASER A 185 12.462 -0.131 25.581 0.50 16.73 C 1338 | ATOM 1337 CA BSER A 185 12.452 -0.152 25.595 0.50 15.76 C 1339 | ATOM 1338 C SER A 185 11.698 1.010 24.606 1.00 13.70 C 1340 | ATOM 1339 O SER A 185 11.272 1.956 25.098 1.00 15.42 O 1341 | ATOM 1340 CB ASER A 185 13.596 -0.726 24.763 0.50 19.74 C 1342 | ATOM 1341 CB BSER A 185 13.609 -0.770 24.828 0.50 17.61 C 1343 | ATOM 1342 OG ASER A 185 14.456 -1.402 25.600 0.50 26.68 O 1344 | ATOM 1343 OG BSER A 185 14.599 0.190 24.694 0.50 18.70 O 1345 | ATOM 1344 N ALA A 186 11.529 0.667 23.355 1.00 14.41 N 1346 | ATOM 1345 CA ALA A 186 10.926 1.589 22.402 1.00 15.16 C 1347 | ATOM 1346 C ALA A 186 9.589 2.148 22.835 1.00 14.15 C 1348 | ATOM 1347 O ALA A 186 9.391 3.301 22.770 1.00 13.92 O 1349 | ATOM 1348 CB ALA A 186 10.843 0.989 21.011 1.00 15.55 C 1350 | ATOM 1349 N LEU A 187 8.700 1.303 23.336 1.00 14.73 N 1351 | ATOM 1350 CA LEU A 187 7.388 1.787 23.726 1.00 14.66 C 1352 | ATOM 1351 C LEU A 187 7.369 2.657 24.976 1.00 14.32 C 1353 | ATOM 1352 O LEU A 187 6.811 3.668 24.945 1.00 14.97 O 1354 | ATOM 1353 CB LEU A 187 6.353 0.646 23.728 1.00 16.12 C 1355 | ATOM 1354 CG LEU A 187 4.917 1.080 23.933 1.00 16.08 C 1356 | ATOM 1355 CD1 LEU A 187 4.444 2.107 22.915 1.00 16.32 C 1357 | ATOM 1356 CD2 LEU A 187 4.023 -0.137 23.880 1.00 19.52 C 1358 | ATOM 1357 N PRO A 188 8.035 2.242 26.055 1.00 14.18 N 1359 | ATOM 1358 CA PRO A 188 8.068 3.156 27.191 1.00 14.77 C 1360 | ATOM 1359 C PRO A 188 8.770 4.503 26.854 1.00 13.30 C 1361 | ATOM 1360 O PRO A 188 8.382 5.493 27.311 1.00 14.67 O 1362 | ATOM 1361 CB PRO A 188 8.796 2.371 28.283 1.00 16.98 C 1363 | ATOM 1362 CG PRO A 188 8.832 0.991 27.839 1.00 22.58 C 1364 | ATOM 1363 CD PRO A 188 8.420 0.875 26.418 1.00 15.80 C 1365 | ATOM 1364 N ILE A 189 9.796 4.457 26.036 1.00 13.76 N 1366 | ATOM 1365 CA ILE A 189 10.439 5.676 25.587 1.00 13.92 C 1367 | ATOM 1366 C ILE A 189 9.428 6.558 24.851 1.00 13.35 C 1368 | ATOM 1367 O ILE A 189 9.274 7.672 25.141 1.00 13.68 O 1369 | ATOM 1368 CB ILE A 189 11.650 5.350 24.684 1.00 13.89 C 1370 | ATOM 1369 CG1 ILE A 189 12.800 4.774 25.538 1.00 14.77 C 1371 | ATOM 1370 CG2 ILE A 189 12.120 6.567 23.895 1.00 15.38 C 1372 | ATOM 1371 CD1 ILE A 189 13.915 4.199 24.715 1.00 16.07 C 1373 | ATOM 1372 N TYR A 190 8.743 5.967 23.891 1.00 13.35 N 1374 | ATOM 1373 CA TYR A 190 7.736 6.664 23.142 1.00 13.18 C 1375 | ATOM 1374 C TYR A 190 6.667 7.262 24.044 1.00 13.31 C 1376 | ATOM 1375 O TYR A 190 6.308 8.371 23.919 1.00 13.54 O 1377 | ATOM 1376 CB TYR A 190 7.083 5.728 22.117 1.00 12.87 C 1378 | ATOM 1377 CG TYR A 190 5.942 6.403 21.379 1.00 12.88 C 1379 | ATOM 1378 CD1 TYR A 190 6.188 7.248 20.338 1.00 12.95 C 1380 | ATOM 1379 CD2 TYR A 190 4.624 6.197 21.761 1.00 14.38 C 1381 | ATOM 1380 CE1 TYR A 190 5.180 7.867 19.678 1.00 13.49 C 1382 | ATOM 1381 CE2 TYR A 190 3.603 6.831 21.116 1.00 13.36 C 1383 | ATOM 1382 CZ TYR A 190 3.885 7.667 20.074 1.00 14.15 C 1384 | ATOM 1383 OH TYR A 190 2.908 8.347 19.381 1.00 15.64 O 1385 | ATOM 1384 N ASP A 191 6.215 6.478 25.004 1.00 13.94 N 1386 | ATOM 1385 CA ASP A 191 5.152 6.890 25.903 1.00 15.53 C 1387 | ATOM 1386 C ASP A 191 5.559 8.017 26.840 1.00 18.30 C 1388 | ATOM 1387 O ASP A 191 4.761 8.767 27.274 1.00 20.36 O 1389 | ATOM 1388 CB ASP A 191 4.624 5.677 26.676 1.00 17.90 C 1390 | ATOM 1389 CG ASP A 191 3.670 4.764 25.844 1.00 21.61 C 1391 | ATOM 1390 OD1 ASP A 191 3.074 5.202 24.891 1.00 24.44 O 1392 | ATOM 1391 OD2 ASP A 191 3.529 3.589 26.191 1.00 27.50 O1- 1393 | ATOM 1392 N SER A 192 6.842 8.134 27.107 1.00 14.63 N 1394 | ATOM 1393 CA SER A 192 7.333 9.190 27.982 1.00 15.59 C 1395 | ATOM 1394 C SER A 192 7.283 10.601 27.429 1.00 14.60 C 1396 | ATOM 1395 O SER A 192 7.311 11.515 28.124 1.00 15.45 O 1397 | ATOM 1396 CB SER A 192 8.774 8.893 28.384 1.00 15.99 C 1398 | ATOM 1397 OG SER A 192 9.656 9.203 27.347 1.00 14.64 O 1399 | ATOM 1398 N MET A 193 7.252 10.708 26.116 1.00 14.28 N 1400 | ATOM 1399 CA MET A 193 7.281 11.995 25.432 1.00 14.37 C 1401 | ATOM 1400 C MET A 193 5.919 12.653 25.323 1.00 16.34 C 1402 | ATOM 1401 O MET A 193 5.133 12.258 24.557 1.00 17.43 O 1403 | ATOM 1402 CB MET A 193 7.903 11.822 24.044 1.00 14.89 C 1404 | ATOM 1403 CG MET A 193 9.346 11.328 24.112 1.00 13.63 C 1405 | ATOM 1404 SD MET A 193 10.169 11.316 22.479 1.00 15.27 S 1406 | ATOM 1405 CE MET A 193 9.333 9.936 21.699 1.00 17.20 C 1407 | ATOM 1406 N SER A 194 5.725 13.698 26.093 1.00 16.03 N 1408 | ATOM 1407 CA SER A 194 4.469 14.387 26.167 1.00 18.13 C 1409 | ATOM 1408 C SER A 194 4.487 15.775 25.583 1.00 18.24 C 1410 | ATOM 1409 O SER A 194 3.486 16.392 25.546 1.00 22.41 O 1411 | ATOM 1410 CB SER A 194 4.086 14.506 27.638 1.00 20.25 C 1412 | ATOM 1411 OG SER A 194 5.167 15.008 28.352 1.00 26.79 O 1413 | ATOM 1412 N ARG A 195 5.621 16.257 25.129 1.00 17.36 N 1414 | ATOM 1413 CA ARG A 195 5.729 17.605 24.645 1.00 19.49 C 1415 | ATOM 1414 C ARG A 195 5.968 17.806 23.163 1.00 21.74 C 1416 | ATOM 1415 O ARG A 195 6.141 18.916 22.753 1.00 26.76 O 1417 | ATOM 1416 CB ARG A 195 6.897 18.303 25.333 1.00 22.90 C 1418 | ATOM 1417 CG ARG A 195 6.866 18.277 26.826 1.00 26.99 C 1419 | ATOM 1418 CD ARG A 195 8.236 18.670 27.257 1.00 36.36 C 1420 | ATOM 1419 NE ARG A 195 8.318 18.639 28.679 1.00 44.40 N 1421 | ATOM 1420 CZ ARG A 195 9.146 19.378 29.370 1.00 60.15 C 1422 | ATOM 1421 NH1 ARG A 195 10.000 20.173 28.729 1.00 64.40 N1+ 1423 | ATOM 1422 NH2 ARG A 195 9.150 19.287 30.690 1.00 54.48 N 1424 | ATOM 1423 N ASN A 196 5.942 16.755 22.378 1.00 16.25 N 1425 | ATOM 1424 CA ASN A 196 6.306 16.881 21.003 1.00 15.11 C 1426 | ATOM 1425 C ASN A 196 5.411 16.151 20.029 1.00 13.25 C 1427 | ATOM 1426 O ASN A 196 4.601 15.377 20.387 1.00 16.03 O 1428 | ATOM 1427 CB ASN A 196 7.748 16.290 20.852 1.00 14.47 C 1429 | ATOM 1428 CG ASN A 196 7.867 14.820 21.301 1.00 14.77 C 1430 | ATOM 1429 ND2 ASN A 196 8.898 14.164 20.877 1.00 13.69 N 1431 | ATOM 1430 OD1 ASN A 196 7.072 14.328 22.021 1.00 16.46 O 1432 | ATOM 1431 N ALA A 197 5.649 16.455 18.769 1.00 13.26 N 1433 | ATOM 1432 CA ALA A 197 5.104 15.706 17.675 1.00 12.35 C 1434 | ATOM 1433 C ALA A 197 5.907 14.402 17.753 1.00 13.18 C 1435 | ATOM 1434 O ALA A 197 7.092 14.429 17.863 1.00 13.30 O 1436 | ATOM 1435 CB ALA A 197 5.411 16.401 16.351 1.00 14.79 C 1437 | ATOM 1436 N LYS A 198 5.226 13.288 17.683 1.00 12.73 N 1438 | ATOM 1437 CA LYS A 198 5.867 11.986 17.801 1.00 11.99 C 1439 | ATOM 1438 C LYS A 198 5.142 10.883 17.051 1.00 13.72 C 1440 | ATOM 1439 O LYS A 198 3.976 10.991 16.740 1.00 13.59 O 1441 | ATOM 1440 CB LYS A 198 6.062 11.613 19.280 1.00 12.59 C 1442 | ATOM 1441 CG LYS A 198 4.765 11.359 20.051 1.00 13.09 C 1443 | ATOM 1442 CD LYS A 198 5.060 10.856 21.449 1.00 12.60 C 1444 | ATOM 1443 CE LYS A 198 3.762 10.512 22.127 1.00 13.30 C 1445 | ATOM 1444 NZ LYS A 198 4.015 9.982 23.497 1.00 13.39 N1+ 1446 | ATOM 1445 N GLN A 199 5.873 9.824 16.763 1.00 11.41 N 1447 | ATOM 1446 CA GLN A 199 5.320 8.696 16.076 1.00 12.55 C 1448 | ATOM 1447 C GLN A 199 6.078 7.418 16.439 1.00 12.19 C 1449 | ATOM 1448 O GLN A 199 7.210 7.467 16.748 1.00 11.81 O 1450 | ATOM 1449 CB GLN A 199 5.306 8.947 14.545 1.00 11.90 C 1451 | ATOM 1450 CG GLN A 199 4.551 7.927 13.697 1.00 11.58 C 1452 | ATOM 1451 CD GLN A 199 4.142 8.488 12.379 1.00 12.69 C 1453 | ATOM 1452 NE2 GLN A 199 4.692 7.953 11.371 1.00 10.44 N 1454 | ATOM 1453 OE1 GLN A 199 3.367 9.405 12.290 1.00 16.08 O 1455 | ATOM 1454 N PHE A 200 5.375 6.304 16.361 1.00 12.44 N 1456 | ATOM 1455 CA PHE A 200 5.872 4.984 16.678 1.00 12.08 C 1457 | ATOM 1456 C PHE A 200 5.410 4.036 15.577 1.00 13.03 C 1458 | ATOM 1457 O PHE A 200 4.280 3.900 15.343 1.00 13.76 O 1459 | ATOM 1458 CB PHE A 200 5.348 4.563 18.072 1.00 13.00 C 1460 | ATOM 1459 CG PHE A 200 5.722 3.160 18.524 1.00 13.93 C 1461 | ATOM 1460 CD1 PHE A 200 4.897 2.099 18.263 1.00 15.72 C 1462 | ATOM 1461 CD2 PHE A 200 6.838 2.949 19.291 1.00 15.41 C 1463 | ATOM 1462 CE1 PHE A 200 5.175 0.847 18.719 1.00 15.36 C 1464 | ATOM 1463 CE2 PHE A 200 7.135 1.678 19.739 1.00 15.96 C 1465 | ATOM 1464 CZ PHE A 200 6.303 0.644 19.451 1.00 15.03 C 1466 | ATOM 1465 N LEU A 201 6.343 3.397 14.915 1.00 13.51 N 1467 | ATOM 1466 CA LEU A 201 6.061 2.471 13.838 1.00 13.38 C 1468 | ATOM 1467 C LEU A 201 6.753 1.168 14.126 1.00 14.07 C 1469 | ATOM 1468 O LEU A 201 7.919 1.107 14.092 1.00 14.44 O 1470 | ATOM 1469 CB LEU A 201 6.571 3.029 12.503 1.00 15.32 C 1471 | ATOM 1470 CG LEU A 201 6.187 2.278 11.221 1.00 17.51 C 1472 | ATOM 1471 CD1 LEU A 201 4.743 2.545 10.928 1.00 23.06 C 1473 | ATOM 1472 CD2 LEU A 201 7.007 2.746 10.029 1.00 24.00 C 1474 | ATOM 1473 N GLU A 202 5.983 0.132 14.394 1.00 14.64 N 1475 | ATOM 1474 CA GLU A 202 6.523 -1.188 14.710 1.00 15.55 C 1476 | ATOM 1475 C GLU A 202 6.421 -2.150 13.534 1.00 14.71 C 1477 | ATOM 1476 O GLU A 202 5.400 -2.312 12.951 1.00 15.68 O 1478 | ATOM 1477 CB GLU A 202 5.807 -1.756 15.924 1.00 15.32 C 1479 | ATOM 1478 CG GLU A 202 6.369 -3.046 16.449 1.00 15.84 C 1480 | ATOM 1479 CD GLU A 202 5.468 -3.660 17.489 1.00 19.18 C 1481 | ATOM 1480 OE1 GLU A 202 5.746 -3.474 18.620 1.00 22.31 O 1482 | ATOM 1481 OE2 GLU A 202 4.491 -4.282 17.122 1.00 22.12 O1- 1483 | ATOM 1482 N ILE A 203 7.546 -2.701 13.185 1.00 14.48 N 1484 | ATOM 1483 CA ILE A 203 7.674 -3.605 12.064 1.00 14.78 C 1485 | ATOM 1484 C ILE A 203 7.344 -5.053 12.445 1.00 18.21 C 1486 | ATOM 1485 O ILE A 203 7.910 -5.606 13.317 1.00 16.94 O 1487 | ATOM 1486 CB ILE A 203 9.077 -3.512 11.459 1.00 17.57 C 1488 | ATOM 1487 CG1 ILE A 203 9.363 -2.101 10.992 1.00 19.79 C 1489 | ATOM 1488 CG2 ILE A 203 9.221 -4.479 10.313 1.00 19.86 C 1490 | ATOM 1489 CD1 ILE A 203 8.548 -1.694 9.802 1.00 24.51 C 1491 | ATOM 1490 N ASN A 204 6.366 -5.608 11.741 1.00 16.97 N 1492 | ATOM 1491 CA ASN A 204 5.832 -6.939 11.988 1.00 20.01 C 1493 | ATOM 1492 C ASN A 204 6.899 -7.992 11.846 1.00 18.61 C 1494 | ATOM 1493 O ASN A 204 7.576 -8.060 10.887 1.00 19.87 O 1495 | ATOM 1494 CB ASN A 204 4.650 -7.199 11.018 1.00 20.33 C 1496 | ATOM 1495 CG ASN A 204 3.977 -8.531 11.213 1.00 28.51 C 1497 | ATOM 1496 ND2 ASN A 204 3.569 -9.105 10.129 1.00 35.51 N 1498 | ATOM 1497 OD1 ASN A 204 3.745 -8.963 12.275 1.00 29.11 O 1499 | ATOM 1498 N GLY A 205 7.081 -8.739 12.919 1.00 19.75 N 1500 | ATOM 1499 CA GLY A 205 8.047 -9.805 12.975 1.00 21.90 C 1501 | ATOM 1500 C GLY A 205 9.495 -9.409 12.991 1.00 21.43 C 1502 | ATOM 1501 O GLY A 205 10.327 -10.246 12.844 1.00 22.47 O 1503 | ATOM 1502 N GLY A 206 9.777 -8.131 13.207 1.00 19.57 N 1504 | ATOM 1503 CA GLY A 206 11.137 -7.675 13.122 1.00 18.60 C 1505 | ATOM 1504 C GLY A 206 12.036 -8.033 14.262 1.00 16.25 C 1506 | ATOM 1505 O GLY A 206 11.652 -7.980 15.374 1.00 17.21 O 1507 | ATOM 1506 N SER A 207 13.249 -8.409 13.908 1.00 16.09 N 1508 | ATOM 1507 CA SER A 207 14.312 -8.629 14.874 1.00 16.90 C 1509 | ATOM 1508 C SER A 207 14.933 -7.245 15.158 1.00 16.49 C 1510 | ATOM 1509 O SER A 207 14.636 -6.273 14.529 1.00 15.16 O 1511 | ATOM 1510 CB SER A 207 15.396 -9.552 14.319 1.00 17.77 C 1512 | ATOM 1511 OG SER A 207 16.214 -8.911 13.378 1.00 21.88 O 1513 | ATOM 1512 N HIS A 208 15.897 -7.211 16.048 1.00 14.71 N 1514 | ATOM 1513 CA HIS A 208 16.575 -5.971 16.423 1.00 14.90 C 1515 | ATOM 1514 C HIS A 208 17.214 -5.237 15.237 1.00 16.02 C 1516 | ATOM 1515 O HIS A 208 17.353 -4.055 15.296 1.00 15.86 O 1517 | ATOM 1516 CB HIS A 208 17.607 -6.325 17.494 1.00 14.53 C 1518 | ATOM 1517 CG HIS A 208 18.294 -5.166 18.147 1.00 14.44 C 1519 | ATOM 1518 CD2 HIS A 208 19.608 -4.919 18.311 1.00 14.88 C 1520 | ATOM 1519 ND1 HIS A 208 17.628 -4.172 18.814 1.00 15.07 N 1521 | ATOM 1520 CE1 HIS A 208 18.508 -3.340 19.329 1.00 14.06 C 1522 | ATOM 1521 NE2 HIS A 208 19.713 -3.766 19.033 1.00 15.14 N 1523 | ATOM 1522 N SER A 209 17.563 -5.942 14.182 1.00 15.00 N 1524 | ATOM 1523 CA SER A 209 18.161 -5.342 13.017 1.00 15.72 C 1525 | ATOM 1524 C SER A 209 17.169 -5.055 11.870 1.00 15.11 C 1526 | ATOM 1525 O SER A 209 17.544 -4.812 10.794 1.00 15.63 O 1527 | ATOM 1526 CB SER A 209 19.309 -6.222 12.523 1.00 17.68 C 1528 | ATOM 1527 OG SER A 209 18.844 -7.488 12.209 1.00 23.51 O 1529 | ATOM 1528 N CYS A 210 15.893 -5.000 12.184 1.00 14.44 N 1530 | ATOM 1529 CA CYS A 210 14.852 -4.843 11.154 1.00 17.54 C 1531 | ATOM 1530 C CYS A 210 14.854 -3.553 10.340 1.00 15.33 C 1532 | ATOM 1531 O CYS A 210 14.226 -3.500 9.350 1.00 16.41 O 1533 | ATOM 1532 CB CYS A 210 13.453 -5.118 11.740 1.00 18.07 C 1534 | ATOM 1533 SG CYS A 210 12.565 -3.714 12.501 1.00 19.55 S 1535 | ATOM 1534 N ALA A 211 15.562 -2.539 10.801 1.00 14.02 N 1536 | ATOM 1535 CA ALA A 211 15.639 -1.273 10.071 1.00 14.27 C 1537 | ATOM 1536 C ALA A 211 17.054 -0.992 9.535 1.00 13.32 C 1538 | ATOM 1537 O ALA A 211 17.354 0.066 9.112 1.00 14.13 O 1539 | ATOM 1538 CB ALA A 211 15.147 -0.120 10.933 1.00 14.24 C 1540 | ATOM 1539 N ASN A 212 17.876 -2.016 9.544 1.00 13.79 N 1541 | ATOM 1540 CA ASN A 212 19.248 -1.897 9.148 1.00 13.67 C 1542 | ATOM 1541 C ASN A 212 19.445 -2.080 7.652 1.00 13.67 C 1543 | ATOM 1542 O ASN A 212 18.559 -2.465 6.960 1.00 15.20 O 1544 | ATOM 1543 CB ASN A 212 20.108 -2.901 9.946 1.00 13.47 C 1545 | ATOM 1544 CG ASN A 212 20.220 -2.558 11.415 1.00 14.89 C 1546 | ATOM 1545 ND2 ASN A 212 21.051 -3.273 12.092 1.00 16.84 N 1547 | ATOM 1546 OD1 ASN A 212 19.592 -1.700 11.903 1.00 15.82 O 1548 | ATOM 1547 N SER A 213 20.644 -1.853 7.179 1.00 13.96 N 1549 | ATOM 1548 CA SER A 213 20.909 -1.990 5.769 1.00 13.66 C 1550 | ATOM 1549 C SER A 213 20.612 -3.407 5.331 1.00 16.18 C 1551 | ATOM 1550 O SER A 213 20.883 -4.345 6.035 1.00 17.12 O 1552 | ATOM 1551 CB SER A 213 22.353 -1.654 5.472 1.00 15.49 C 1553 | ATOM 1552 OG SER A 213 22.687 -0.391 5.988 1.00 14.22 O 1554 | ATOM 1553 N GLY A 214 20.015 -3.507 4.165 1.00 15.85 N 1555 | ATOM 1554 CA GLY A 214 19.640 -4.792 3.596 1.00 17.95 C 1556 | ATOM 1555 C GLY A 214 18.317 -5.340 4.080 1.00 19.03 C 1557 | ATOM 1556 O GLY A 214 17.942 -6.396 3.704 1.00 21.79 O 1558 | ATOM 1557 N ASN A 215 17.610 -4.596 4.905 1.00 16.43 N 1559 | ATOM 1558 CA ASN A 215 16.326 -5.056 5.400 1.00 15.64 C 1560 | ATOM 1559 C ASN A 215 15.273 -5.159 4.315 1.00 16.46 C 1561 | ATOM 1560 O ASN A 215 15.359 -4.565 3.292 1.00 17.35 O 1562 | ATOM 1561 CB ASN A 215 15.808 -4.275 6.630 1.00 16.50 C 1563 | ATOM 1562 CG ASN A 215 15.152 -2.951 6.281 1.00 15.42 C 1564 | ATOM 1563 ND2 ASN A 215 15.867 -1.890 6.487 1.00 15.89 N 1565 | ATOM 1564 OD1 ASN A 215 14.057 -2.907 5.871 1.00 15.36 O 1566 | ATOM 1565 N SER A 216 14.365 -6.071 4.568 1.00 18.10 N 1567 | ATOM 1566 CA ASER A 216 13.182 -6.248 3.679 0.50 19.51 C 1568 | ATOM 1567 CA BSER A 216 13.242 -6.230 3.631 0.50 18.13 C 1569 | ATOM 1568 C SER A 216 11.935 -5.229 3.711 1.00 19.52 C 1570 | ATOM 1569 O SER A 216 11.082 -5.378 2.895 1.00 21.27 O 1571 | ATOM 1570 CB ASER A 216 12.504 -7.593 3.966 0.50 21.18 C 1572 | ATOM 1571 CB BSER A 216 12.772 -7.688 3.693 0.50 18.74 C 1573 | ATOM 1572 OG ASER A 216 13.392 -8.588 3.751 0.50 26.16 O 1574 | ATOM 1573 OG BSER A 216 12.003 -7.869 4.806 0.50 20.97 O 1575 | ATOM 1574 N ASN A 217 12.090 -4.172 4.460 1.00 15.76 N 1576 | ATOM 1575 CA ASN A 217 11.044 -3.217 4.576 1.00 15.93 C 1577 | ATOM 1576 C ASN A 217 11.495 -1.807 4.289 1.00 15.17 C 1578 | ATOM 1577 O ASN A 217 10.952 -0.889 4.799 1.00 14.36 O 1579 | ATOM 1578 CB ASN A 217 10.418 -3.316 5.947 1.00 19.81 C 1580 | ATOM 1579 CG ASN A 217 9.561 -4.554 6.071 1.00 23.98 C 1581 | ATOM 1580 ND2 ASN A 217 9.937 -5.385 6.915 1.00 18.75 N 1582 | ATOM 1581 OD1 ASN A 217 8.622 -4.748 5.337 1.00 30.25 O 1583 | ATOM 1582 N GLN A 218 12.450 -1.673 3.387 1.00 14.78 N 1584 | ATOM 1583 CA GLN A 218 12.963 -0.371 3.058 1.00 13.66 C 1585 | ATOM 1584 C GLN A 218 11.984 0.517 2.353 1.00 15.03 C 1586 | ATOM 1585 O GLN A 218 12.079 1.667 2.480 1.00 14.26 O 1587 | ATOM 1586 CB GLN A 218 14.295 -0.422 2.299 1.00 15.14 C 1588 | ATOM 1587 CG GLN A 218 15.445 -0.942 3.139 1.00 15.72 C 1589 | ATOM 1588 CD GLN A 218 16.674 -1.158 2.296 1.00 20.08 C 1590 | ATOM 1589 NE2 GLN A 218 17.133 -2.371 2.254 1.00 22.00 N 1591 | ATOM 1590 OE1 GLN A 218 17.161 -0.273 1.701 1.00 18.42 O 1592 | ATOM 1591 N ALA A 219 11.043 -0.043 1.629 1.00 13.52 N 1593 | ATOM 1592 CA ALA A 219 10.057 0.794 0.984 1.00 14.22 C 1594 | ATOM 1593 C ALA A 219 9.287 1.602 2.026 1.00 15.35 C 1595 | ATOM 1594 O ALA A 219 9.161 2.747 1.915 1.00 14.95 O 1596 | ATOM 1595 CB ALA A 219 9.120 -0.042 0.134 1.00 15.61 C 1597 | ATOM 1596 N LEU A 220 8.771 0.927 3.021 1.00 14.23 N 1598 | ATOM 1597 CA LEU A 220 8.028 1.572 4.070 1.00 15.16 C 1599 | ATOM 1598 C LEU A 220 8.868 2.374 5.041 1.00 14.46 C 1600 | ATOM 1599 O LEU A 220 8.548 3.461 5.315 1.00 13.44 O 1601 | ATOM 1600 CB LEU A 220 7.202 0.550 4.850 1.00 17.53 C 1602 | ATOM 1601 CG LEU A 220 6.456 1.074 6.072 1.00 20.65 C 1603 | ATOM 1602 CD1 LEU A 220 5.456 2.115 5.638 1.00 23.97 C 1604 | ATOM 1603 CD2 LEU A 220 5.764 -0.052 6.800 1.00 28.06 C 1605 | ATOM 1604 N ILE A 221 9.941 1.787 5.533 1.00 12.92 N 1606 | ATOM 1605 CA ILE A 221 10.791 2.451 6.506 1.00 12.53 C 1607 | ATOM 1606 C ILE A 221 11.418 3.704 5.900 1.00 12.43 C 1608 | ATOM 1607 O ILE A 221 11.427 4.738 6.475 1.00 12.92 O 1609 | ATOM 1608 CB ILE A 221 11.843 1.476 7.091 1.00 11.78 C 1610 | ATOM 1609 CG1 ILE A 221 11.147 0.388 7.916 1.00 13.81 C 1611 | ATOM 1610 CG2 ILE A 221 12.881 2.205 7.957 1.00 14.18 C 1612 | ATOM 1611 CD1 ILE A 221 12.081 -0.754 8.293 1.00 14.66 C 1613 | ATOM 1612 N GLY A 222 11.926 3.569 4.693 1.00 12.08 N 1614 | ATOM 1613 CA GLY A 222 12.514 4.695 4.004 1.00 12.12 C 1615 | ATOM 1614 C GLY A 222 11.515 5.791 3.673 1.00 11.05 C 1616 | ATOM 1615 O GLY A 222 11.807 6.907 3.786 1.00 13.02 O 1617 | ATOM 1616 N LYS A 223 10.321 5.426 3.249 1.00 10.90 N 1618 | ATOM 1617 CA LYS A 223 9.281 6.412 3.012 1.00 12.03 C 1619 | ATOM 1618 C LYS A 223 8.999 7.213 4.278 1.00 11.91 C 1620 | ATOM 1619 O LYS A 223 8.945 8.380 4.229 1.00 12.80 O 1621 | ATOM 1620 CB LYS A 223 7.985 5.736 2.548 1.00 12.88 C 1622 | ATOM 1621 CG LYS A 223 6.766 6.646 2.596 1.00 13.17 C 1623 | ATOM 1622 CD LYS A 223 5.595 6.060 1.822 1.00 15.31 C 1624 | ATOM 1623 CE LYS A 223 4.986 4.880 2.529 1.00 15.96 C 1625 | ATOM 1624 NZ LYS A 223 3.796 4.389 1.783 1.00 17.74 N1+ 1626 | ATOM 1625 N LYS A 224 8.835 6.523 5.395 1.00 11.60 N 1627 | ATOM 1626 CA LYS A 224 8.531 7.196 6.638 1.00 11.64 C 1628 | ATOM 1627 C LYS A 224 9.686 8.064 7.153 1.00 12.19 C 1629 | ATOM 1628 O LYS A 224 9.484 9.141 7.588 1.00 11.60 O 1630 | ATOM 1629 CB LYS A 224 8.067 6.191 7.692 1.00 12.35 C 1631 | ATOM 1630 CG LYS A 224 6.596 5.864 7.624 1.00 13.14 C 1632 | ATOM 1631 CD LYS A 224 5.803 6.990 8.267 1.00 13.40 C 1633 | ATOM 1632 CE LYS A 224 4.327 6.712 8.302 1.00 13.06 C 1634 | ATOM 1633 NZ LYS A 224 3.609 7.912 8.811 1.00 13.33 N1+ 1635 | ATOM 1634 N GLY A 225 10.909 7.575 7.057 1.00 11.41 N 1636 | ATOM 1635 CA GLY A 225 12.050 8.356 7.489 1.00 11.87 C 1637 | ATOM 1636 C GLY A 225 12.225 9.630 6.682 1.00 12.26 C 1638 | ATOM 1637 O GLY A 225 12.366 10.654 7.209 1.00 12.60 O 1639 | ATOM 1638 N VAL A 226 12.174 9.508 5.377 1.00 11.57 N 1640 | ATOM 1639 CA VAL A 226 12.290 10.652 4.508 1.00 12.32 C 1641 | ATOM 1640 C VAL A 226 11.118 11.627 4.730 1.00 11.78 C 1642 | ATOM 1641 O VAL A 226 11.314 12.782 4.863 1.00 12.15 O 1643 | ATOM 1642 CB VAL A 226 12.338 10.220 3.037 1.00 12.31 C 1644 | ATOM 1643 CG1 VAL A 226 12.169 11.426 2.132 1.00 14.42 C 1645 | ATOM 1644 CG2 VAL A 226 13.621 9.489 2.731 1.00 14.87 C 1646 | ATOM 1645 N ALA A 227 9.897 11.116 4.835 1.00 11.61 N 1647 | ATOM 1646 CA ALA A 227 8.759 11.976 5.061 1.00 11.58 C 1648 | ATOM 1647 C ALA A 227 8.845 12.746 6.386 1.00 12.33 C 1649 | ATOM 1648 O ALA A 227 8.526 13.872 6.426 1.00 12.22 O 1650 | ATOM 1649 CB ALA A 227 7.454 11.196 4.963 1.00 12.57 C 1651 | ATOM 1650 N TRP A 228 9.281 12.087 7.436 1.00 10.89 N 1652 | ATOM 1651 CA TRP A 228 9.416 12.734 8.721 1.00 11.25 C 1653 | ATOM 1652 C TRP A 228 10.460 13.852 8.677 1.00 12.23 C 1654 | ATOM 1653 O TRP A 228 10.241 14.895 9.123 1.00 11.91 O 1655 | ATOM 1654 CB TRP A 228 9.767 11.687 9.775 1.00 11.68 C 1656 | ATOM 1655 CG TRP A 228 9.594 12.170 11.177 1.00 11.28 C 1657 | ATOM 1656 CD1 TRP A 228 10.558 12.634 12.001 1.00 11.80 C 1658 | ATOM 1657 CD2 TRP A 228 8.385 12.193 11.922 1.00 11.44 C 1659 | ATOM 1658 CE2 TRP A 228 8.688 12.689 13.185 1.00 11.34 C 1660 | ATOM 1659 CE3 TRP A 228 7.075 11.826 11.639 1.00 12.01 C 1661 | ATOM 1660 NE1 TRP A 228 10.026 12.970 13.205 1.00 12.49 N 1662 | ATOM 1661 CZ2 TRP A 228 7.731 12.861 14.152 1.00 12.35 C 1663 | ATOM 1662 CZ3 TRP A 228 6.128 11.983 12.598 1.00 12.34 C 1664 | ATOM 1663 CH2 TRP A 228 6.456 12.493 13.845 1.00 13.14 C 1665 | ATOM 1664 N MET A 229 11.590 13.564 8.076 1.00 11.59 N 1666 | ATOM 1665 CA MET A 229 12.651 14.540 7.964 1.00 12.01 C 1667 | ATOM 1666 C MET A 229 12.247 15.730 7.089 1.00 12.00 C 1668 | ATOM 1667 O MET A 229 12.510 16.823 7.420 1.00 12.38 O 1669 | ATOM 1668 CB MET A 229 13.946 13.885 7.463 1.00 13.35 C 1670 | ATOM 1669 CG MET A 229 14.536 12.888 8.433 1.00 12.71 C 1671 | ATOM 1670 SD MET A 229 15.241 13.766 9.855 1.00 18.98 S 1672 | ATOM 1671 CE MET A 229 14.607 12.574 10.939 1.00 19.38 C 1673 | ATOM 1672 N LYS A 230 11.598 15.456 5.976 1.00 11.40 N 1674 | ATOM 1673 CA LYS A 230 11.122 16.501 5.089 1.00 12.43 C 1675 | ATOM 1674 C LYS A 230 10.089 17.360 5.789 1.00 13.06 C 1676 | ATOM 1675 O LYS A 230 10.162 18.535 5.757 1.00 13.67 O 1677 | ATOM 1676 CB LYS A 230 10.502 15.916 3.827 1.00 14.68 C 1678 | ATOM 1677 CG LYS A 230 11.499 15.436 2.808 1.00 16.15 C 1679 | ATOM 1678 CD LYS A 230 11.997 16.621 2.016 1.00 19.66 C 1680 | ATOM 1679 CE LYS A 230 12.311 16.251 0.624 1.00 16.83 C 1681 | ATOM 1680 NZ LYS A 230 12.879 17.421 -0.074 1.00 15.09 N1+ 1682 | ATOM 1681 N ARG A 231 9.138 16.748 6.452 1.00 11.90 N 1683 | ATOM 1682 CA ARG A 231 8.127 17.515 7.125 1.00 12.64 C 1684 | ATOM 1683 C ARG A 231 8.705 18.399 8.228 1.00 12.46 C 1685 | ATOM 1684 O ARG A 231 8.364 19.518 8.320 1.00 13.93 O 1686 | ATOM 1685 CB ARG A 231 7.057 16.582 7.703 1.00 12.86 C 1687 | ATOM 1686 CG ARG A 231 6.114 17.252 8.686 1.00 13.58 C 1688 | ATOM 1687 CD ARG A 231 5.307 18.371 8.018 1.00 15.26 C 1689 | ATOM 1688 NE ARG A 231 4.459 19.018 9.011 1.00 15.62 N 1690 | ATOM 1689 CZ ARG A 231 4.797 20.050 9.739 1.00 18.12 C 1691 | ATOM 1690 NH1 ARG A 231 5.951 20.610 9.585 1.00 19.25 N1+ 1692 | ATOM 1691 NH2 ARG A 231 3.969 20.510 10.627 1.00 21.61 N 1693 | ATOM 1692 N PHE A 232 9.562 17.854 9.055 1.00 12.63 N 1694 | ATOM 1693 CA PHE A 232 10.063 18.580 10.200 1.00 12.12 C 1695 | ATOM 1694 C PHE A 232 11.341 19.363 10.013 1.00 12.98 C 1696 | ATOM 1695 O PHE A 232 11.469 20.393 10.560 1.00 15.37 O 1697 | ATOM 1696 CB PHE A 232 10.047 17.630 11.408 1.00 12.11 C 1698 | ATOM 1697 CG PHE A 232 8.649 17.228 11.800 1.00 12.77 C 1699 | ATOM 1698 CD1 PHE A 232 7.774 18.176 12.233 1.00 12.94 C 1700 | ATOM 1699 CD2 PHE A 232 8.202 15.944 11.681 1.00 12.09 C 1701 | ATOM 1700 CE1 PHE A 232 6.483 17.846 12.571 1.00 13.02 C 1702 | ATOM 1701 CE2 PHE A 232 6.897 15.610 12.001 1.00 12.34 C 1703 | ATOM 1702 CZ PHE A 232 6.053 16.567 12.463 1.00 13.50 C 1704 | ATOM 1703 N MET A 233 12.229 18.885 9.184 1.00 12.16 N 1705 | ATOM 1704 CA MET A 233 13.440 19.647 8.953 1.00 12.43 C 1706 | ATOM 1705 C MET A 233 13.242 20.763 7.950 1.00 12.65 C 1707 | ATOM 1706 O MET A 233 13.841 21.765 8.067 1.00 13.79 O 1708 | ATOM 1707 CB MET A 233 14.545 18.738 8.445 1.00 14.40 C 1709 | ATOM 1708 CG MET A 233 14.914 17.711 9.502 1.00 16.05 C 1710 | ATOM 1709 SD MET A 233 16.437 16.821 9.168 1.00 18.61 S 1711 | ATOM 1710 CE MET A 233 17.629 18.140 8.766 1.00 14.49 C 1712 | ATOM 1711 N ASP A 234 12.400 20.535 6.957 1.00 12.23 N 1713 | ATOM 1712 CA ASP A 234 12.166 21.519 5.924 1.00 12.99 C 1714 | ATOM 1713 C ASP A 234 10.841 22.242 6.100 1.00 13.63 C 1715 | ATOM 1714 O ASP A 234 10.466 22.983 5.256 1.00 14.11 O 1716 | ATOM 1715 CB ASP A 234 12.127 20.848 4.547 1.00 12.97 C 1717 | ATOM 1716 CG ASP A 234 13.438 20.192 4.125 1.00 13.35 C 1718 | ATOM 1717 OD1 ASP A 234 14.393 20.244 4.862 1.00 14.29 O 1719 | ATOM 1718 OD2 ASP A 234 13.449 19.629 3.049 1.00 14.90 O1- 1720 | ATOM 1719 N ASN A 235 10.080 21.925 7.142 1.00 13.18 N 1721 | ATOM 1720 CA ASN A 235 8.734 22.465 7.386 1.00 13.87 C 1722 | ATOM 1721 C ASN A 235 7.849 22.239 6.144 1.00 14.76 C 1723 | ATOM 1722 O ASN A 235 6.991 23.005 5.889 1.00 15.77 O 1724 | ATOM 1723 CB ASN A 235 8.764 23.965 7.689 1.00 15.40 C 1725 | ATOM 1724 CG ASN A 235 9.687 24.322 8.829 1.00 19.07 C 1726 | ATOM 1725 ND2 ASN A 235 10.112 25.539 8.832 1.00 20.82 N 1727 | ATOM 1726 OD1 ASN A 235 9.988 23.544 9.667 1.00 19.04 O 1728 | ATOM 1727 N ASP A 236 8.086 21.157 5.435 1.00 13.24 N 1729 | ATOM 1728 CA ASP A 236 7.440 20.925 4.158 1.00 12.74 C 1730 | ATOM 1729 C ASP A 236 6.168 20.143 4.320 1.00 13.43 C 1731 | ATOM 1730 O ASP A 236 6.164 18.968 4.416 1.00 12.76 O 1732 | ATOM 1731 CB ASP A 236 8.424 20.205 3.242 1.00 13.12 C 1733 | ATOM 1732 CG ASP A 236 8.004 20.170 1.787 1.00 14.17 C 1734 | ATOM 1733 OD1 ASP A 236 6.884 20.452 1.493 1.00 15.00 O 1735 | ATOM 1734 OD2 ASP A 236 8.849 19.839 0.992 1.00 14.81 O1- 1736 | ATOM 1735 N THR A 237 5.061 20.863 4.248 1.00 14.18 N 1737 | ATOM 1736 CA THR A 237 3.735 20.306 4.454 1.00 13.68 C 1738 | ATOM 1737 C THR A 237 3.202 19.521 3.299 1.00 12.50 C 1739 | ATOM 1738 O THR A 237 2.262 18.852 3.421 1.00 13.86 O 1740 | ATOM 1739 CB THR A 237 2.730 21.344 4.936 1.00 16.04 C 1741 | ATOM 1740 CG2 THR A 237 3.135 21.936 6.268 1.00 17.80 C 1742 | ATOM 1741 OG1 THR A 237 2.679 22.372 3.986 1.00 19.68 O 1743 | ATOM 1742 N ARG A 238 3.971 19.444 2.221 1.00 12.38 N 1744 | ATOM 1743 CA ARG A 238 3.642 18.517 1.140 1.00 12.45 C 1745 | ATOM 1744 C ARG A 238 3.845 17.071 1.655 1.00 12.64 C 1746 | ATOM 1745 O ARG A 238 3.339 16.155 1.121 1.00 13.98 O 1747 | ATOM 1746 CB ARG A 238 4.537 18.715 -0.077 1.00 13.26 C 1748 | ATOM 1747 CG ARG A 238 4.312 20.060 -0.745 1.00 13.40 C 1749 | ATOM 1748 CD ARG A 238 5.243 20.251 -1.927 1.00 14.72 C 1750 | ATOM 1749 NE ARG A 238 6.621 20.264 -1.505 1.00 14.64 N 1751 | ATOM 1750 CZ ARG A 238 7.631 20.203 -2.325 1.00 14.97 C 1752 | ATOM 1751 NH1 ARG A 238 7.428 20.169 -3.617 1.00 17.05 N1+ 1753 | ATOM 1752 NH2 ARG A 238 8.839 20.176 -1.841 1.00 15.40 N 1754 | ATOM 1753 N TYR A 239 4.634 16.941 2.703 1.00 12.24 N 1755 | ATOM 1754 CA TYR A 239 4.944 15.668 3.311 1.00 12.91 C 1756 | ATOM 1755 C TYR A 239 4.140 15.366 4.543 1.00 13.74 C 1757 | ATOM 1756 O TYR A 239 4.298 14.336 5.083 1.00 13.65 O 1758 | ATOM 1757 CB TYR A 239 6.462 15.573 3.611 1.00 12.99 C 1759 | ATOM 1758 CG TYR A 239 7.312 15.454 2.376 1.00 12.63 C 1760 | ATOM 1759 CD1 TYR A 239 7.656 16.552 1.666 1.00 12.76 C 1761 | ATOM 1760 CD2 TYR A 239 7.751 14.234 1.922 1.00 12.25 C 1762 | ATOM 1761 CE1 TYR A 239 8.412 16.451 0.532 1.00 13.28 C 1763 | ATOM 1762 CE2 TYR A 239 8.516 14.136 0.812 1.00 13.30 C 1764 | ATOM 1763 CZ TYR A 239 8.838 15.253 0.115 1.00 12.68 C 1765 | ATOM 1764 OH TYR A 239 9.581 15.137 -0.999 1.00 15.98 O 1766 | ATOM 1765 N SER A 240 3.267 16.269 4.948 1.00 13.70 N 1767 | ATOM 1766 CA SER A 240 2.437 16.027 6.121 1.00 13.69 C 1768 | ATOM 1767 C SER A 240 1.632 14.752 6.023 1.00 12.99 C 1769 | ATOM 1768 O SER A 240 1.556 14.004 6.933 1.00 13.78 O 1770 | ATOM 1769 CB SER A 240 1.476 17.169 6.401 1.00 14.60 C 1771 | ATOM 1770 OG SER A 240 2.145 18.302 6.797 1.00 17.02 O 1772 | ATOM 1771 N THR A 241 1.035 14.513 4.877 1.00 12.84 N 1773 | ATOM 1772 CA THR A 241 0.247 13.322 4.712 1.00 13.54 C 1774 | ATOM 1773 C THR A 241 1.056 12.025 4.950 1.00 13.56 C 1775 | ATOM 1774 O THR A 241 0.632 11.169 5.622 1.00 15.01 O 1776 | ATOM 1775 CB THR A 241 -0.506 13.312 3.364 1.00 14.45 C 1777 | ATOM 1776 CG2 THR A 241 0.409 13.256 2.145 1.00 13.66 C 1778 | ATOM 1777 OG1 THR A 241 -1.344 12.185 3.345 1.00 14.37 O 1779 | ATOM 1778 N PHE A 242 2.265 11.995 4.438 1.00 12.22 N 1780 | ATOM 1779 CA PHE A 242 3.114 10.833 4.581 1.00 12.91 C 1781 | ATOM 1780 C PHE A 242 3.716 10.728 5.975 1.00 12.27 C 1782 | ATOM 1781 O PHE A 242 3.864 9.676 6.481 1.00 13.36 O 1783 | ATOM 1782 CB PHE A 242 4.191 10.847 3.485 1.00 12.74 C 1784 | ATOM 1783 CG PHE A 242 3.622 10.829 2.101 1.00 13.36 C 1785 | ATOM 1784 CD1 PHE A 242 2.950 9.746 1.653 1.00 15.06 C 1786 | ATOM 1785 CD2 PHE A 242 3.725 11.919 1.303 1.00 14.00 C 1787 | ATOM 1786 CE1 PHE A 242 2.386 9.737 0.404 1.00 18.19 C 1788 | ATOM 1787 CE2 PHE A 242 3.172 11.921 0.052 1.00 14.97 C 1789 | ATOM 1788 CZ PHE A 242 2.502 10.840 -0.389 1.00 15.57 C 1790 | ATOM 1789 N ALA A 243 4.038 11.861 6.553 1.00 12.07 N 1791 | ATOM 1790 CA ALA A 243 4.592 11.877 7.912 1.00 13.31 C 1792 | ATOM 1791 C ALA A 243 3.564 11.447 8.953 1.00 14.44 C 1793 | ATOM 1792 O ALA A 243 3.882 10.758 9.829 1.00 15.26 O 1794 | ATOM 1793 CB ALA A 243 5.138 13.281 8.258 1.00 14.37 C 1795 | ATOM 1794 N CYS A 244 2.323 11.819 8.756 1.00 13.27 N 1796 | ATOM 1795 CA CYS A 244 1.287 11.530 9.735 1.00 15.89 C 1797 | ATOM 1796 C CYS A 244 0.467 10.272 9.543 1.00 16.18 C 1798 | ATOM 1797 O CYS A 244 -0.132 9.821 10.454 1.00 16.53 O 1799 | ATOM 1798 CB CYS A 244 0.344 12.713 9.823 1.00 19.71 C 1800 | ATOM 1799 SG CYS A 244 1.140 14.272 10.292 1.00 25.14 S 1801 | ATOM 1800 N GLU A 245 0.493 9.708 8.366 1.00 13.96 N 1802 | ATOM 1801 CA GLU A 245 -0.348 8.568 8.098 1.00 14.70 C 1803 | ATOM 1802 C GLU A 245 -0.066 7.282 8.852 1.00 15.30 C 1804 | ATOM 1803 O GLU A 245 1.010 6.963 9.125 1.00 15.47 O 1805 | ATOM 1804 CB GLU A 245 -0.370 8.279 6.601 1.00 17.23 C 1806 | ATOM 1805 CG GLU A 245 0.869 7.599 6.081 1.00 17.79 C 1807 | ATOM 1806 CD GLU A 245 0.686 7.033 4.680 1.00 21.19 C 1808 | ATOM 1807 OE1 GLU A 245 -0.179 6.258 4.456 1.00 31.14 O 1809 | ATOM 1808 OE2 GLU A 245 1.440 7.333 3.853 1.00 24.96 O1- 1810 | ATOM 1809 N ASN A 246 -1.139 6.579 9.147 1.00 15.49 N 1811 | ATOM 1810 CA ASN A 246 -1.104 5.276 9.740 1.00 15.93 C 1812 | ATOM 1811 C ASN A 246 -1.127 4.360 8.536 1.00 15.79 C 1813 | ATOM 1812 O ASN A 246 -2.128 4.202 7.939 1.00 18.44 O 1814 | ATOM 1813 CB ASN A 246 -2.346 5.061 10.578 1.00 18.46 C 1815 | ATOM 1814 CG ASN A 246 -2.365 3.708 11.248 1.00 19.63 C 1816 | ATOM 1815 ND2 ASN A 246 -1.568 2.856 10.827 1.00 19.71 N 1817 | ATOM 1816 OD1 ASN A 246 -3.124 3.490 12.150 1.00 32.66 O 1818 | ATOM 1817 N PRO A 247 0.003 3.780 8.164 1.00 16.18 N 1819 | ATOM 1818 CA PRO A 247 0.003 2.979 6.947 1.00 20.55 C 1820 | ATOM 1819 C PRO A 247 -0.870 1.718 6.984 1.00 22.27 C 1821 | ATOM 1820 O PRO A 247 -0.886 1.005 7.924 1.00 24.14 O 1822 | ATOM 1821 CB PRO A 247 1.485 2.602 6.780 1.00 23.14 C 1823 | ATOM 1822 CG PRO A 247 2.250 3.345 7.802 1.00 22.63 C 1824 | ATOM 1823 CD PRO A 247 1.288 3.717 8.872 1.00 16.47 C 1825 | ATOM 1824 N ASN A 248 -1.621 1.492 5.945 1.00 25.19 N 1826 | ATOM 1825 CA ASN A 248 -2.378 0.270 5.852 1.00 27.11 C 1827 | ATOM 1826 C ASN A 248 -1.408 -0.742 5.272 1.00 27.67 C 1828 | ATOM 1827 O ASN A 248 -1.285 -0.835 4.111 1.00 31.20 O 1829 | ATOM 1828 CB ASN A 248 -3.573 0.452 4.913 1.00 31.16 C 1830 | ATOM 1829 CG ASN A 248 -4.789 0.979 5.627 1.00 35.63 C 1831 | ATOM 1830 ND2 ASN A 248 -5.648 1.653 4.905 1.00 27.27 N 1832 | ATOM 1831 OD1 ASN A 248 -4.940 0.790 6.805 1.00 35.06 O 1833 | ATOM 1832 N SER A 249 -0.679 -1.440 6.118 1.00 28.71 N 1834 | ATOM 1833 CA SER A 249 0.286 -2.401 5.658 1.00 24.70 C 1835 | ATOM 1834 C SER A 249 0.356 -3.576 6.571 1.00 26.16 C 1836 | ATOM 1835 O SER A 249 0.401 -3.434 7.737 1.00 25.05 O 1837 | ATOM 1836 CB SER A 249 1.646 -1.750 5.646 1.00 27.42 C 1838 | ATOM 1837 OG SER A 249 2.639 -2.656 5.298 1.00 26.71 O 1839 | ATOM 1838 N THR A 250 0.492 -4.758 6.007 1.00 26.39 N 1840 | ATOM 1839 CA THR A 250 0.654 -5.952 6.789 1.00 26.76 C 1841 | ATOM 1840 C THR A 250 2.068 -6.001 7.355 1.00 25.23 C 1842 | ATOM 1841 O THR A 250 2.345 -6.791 8.188 1.00 25.45 O 1843 | ATOM 1842 CB THR A 250 0.457 -7.220 5.965 1.00 28.67 C 1844 | ATOM 1843 CG2 THR A 250 -0.958 -7.317 5.511 1.00 37.52 C 1845 | ATOM 1844 OG1 THR A 250 1.322 -7.204 4.839 1.00 31.42 O 1846 | ATOM 1845 N ARG A 251 2.941 -5.101 6.929 1.00 21.38 N 1847 | ATOM 1846 CA ARG A 251 4.307 -5.044 7.446 1.00 21.41 C 1848 | ATOM 1847 C ARG A 251 4.389 -4.269 8.764 1.00 22.07 C 1849 | ATOM 1848 O ARG A 251 5.389 -4.244 9.374 1.00 21.13 O 1850 | ATOM 1849 CB ARG A 251 5.267 -4.396 6.454 1.00 23.23 C 1851 | ATOM 1850 CG ARG A 251 5.339 -5.051 5.101 1.00 26.84 C 1852 | ATOM 1851 CD ARG A 251 5.896 -4.067 4.101 1.00 33.20 C 1853 | ATOM 1852 NE ARG A 251 5.919 -4.502 2.700 1.00 42.28 N 1854 | ATOM 1853 CZ ARG A 251 6.911 -5.187 2.155 1.00 46.88 C 1855 | ATOM 1854 NH1 ARG A 251 7.916 -5.573 2.919 1.00 39.97 N1+ 1856 | ATOM 1855 NH2 ARG A 251 6.858 -5.525 0.873 1.00 42.52 N 1857 | ATOM 1856 N VAL A 252 3.295 -3.675 9.169 1.00 19.54 N 1858 | ATOM 1857 CA VAL A 252 3.233 -2.891 10.365 1.00 20.01 C 1859 | ATOM 1858 C VAL A 252 2.398 -3.588 11.417 1.00 20.83 C 1860 | ATOM 1859 O VAL A 252 1.259 -3.855 11.214 1.00 21.03 O 1861 | ATOM 1860 CB VAL A 252 2.627 -1.517 10.088 1.00 20.30 C 1862 | ATOM 1861 CG1 VAL A 252 2.462 -0.721 11.355 1.00 20.38 C 1863 | ATOM 1862 CG2 VAL A 252 3.483 -0.739 9.114 1.00 21.45 C 1864 | ATOM 1863 N SER A 253 2.998 -3.884 12.547 1.00 16.49 N 1865 | ATOM 1864 CA SER A 253 2.285 -4.517 13.642 1.00 18.15 C 1866 | ATOM 1865 C SER A 253 1.715 -3.555 14.668 1.00 19.86 C 1867 | ATOM 1866 O SER A 253 0.877 -3.928 15.423 1.00 20.99 O 1868 | ATOM 1867 CB SER A 253 3.132 -5.591 14.298 1.00 19.45 C 1869 | ATOM 1868 OG SER A 253 4.375 -5.074 14.679 1.00 20.13 O 1870 | ATOM 1869 N ASP A 254 2.171 -2.326 14.675 1.00 16.56 N 1871 | ATOM 1870 CA ASP A 254 1.652 -1.325 15.566 1.00 16.75 C 1872 | ATOM 1871 C ASP A 254 2.034 0.055 15.029 1.00 15.52 C 1873 | ATOM 1872 O ASP A 254 3.040 0.224 14.434 1.00 17.36 O 1874 | ATOM 1873 CB ASP A 254 2.149 -1.513 17.009 1.00 18.40 C 1875 | ATOM 1874 CG ASP A 254 1.307 -0.768 18.038 1.00 21.07 C 1876 | ATOM 1875 OD1 ASP A 254 0.218 -0.317 17.740 1.00 23.04 O 1877 | ATOM 1876 OD2 ASP A 254 1.760 -0.645 19.140 1.00 23.68 O1- 1878 | ATOM 1877 N PHE A 255 1.152 1.001 15.234 1.00 14.88 N 1879 | ATOM 1878 CA PHE A 255 1.342 2.369 14.820 1.00 15.91 C 1880 | ATOM 1879 C PHE A 255 0.709 3.275 15.856 1.00 15.98 C 1881 | ATOM 1880 O PHE A 255 -0.376 3.035 16.270 1.00 15.82 O 1882 | ATOM 1881 CB PHE A 255 0.723 2.669 13.437 1.00 15.89 C 1883 | ATOM 1882 CG PHE A 255 0.777 4.135 13.064 1.00 16.69 C 1884 | ATOM 1883 CD1 PHE A 255 1.878 4.667 12.427 1.00 17.97 C 1885 | ATOM 1884 CD2 PHE A 255 -0.231 4.971 13.387 1.00 17.31 C 1886 | ATOM 1885 CE1 PHE A 255 1.905 6.005 12.117 1.00 16.39 C 1887 | ATOM 1886 CE2 PHE A 255 -0.186 6.311 13.102 1.00 20.25 C 1888 | ATOM 1887 CZ PHE A 255 0.878 6.812 12.458 1.00 19.08 C 1889 | ATOM 1888 N ARG A 256 1.430 4.296 16.277 1.00 14.79 N 1890 | ATOM 1889 CA ARG A 256 0.978 5.311 17.204 1.00 14.80 C 1891 | ATOM 1890 C ARG A 256 1.498 6.671 16.763 1.00 14.24 C 1892 | ATOM 1891 O ARG A 256 2.583 6.752 16.267 1.00 14.23 O 1893 | ATOM 1892 CB ARG A 256 1.511 5.038 18.623 1.00 15.78 C 1894 | ATOM 1893 CG ARG A 256 1.183 3.664 19.165 1.00 17.06 C 1895 | ATOM 1894 CD ARG A 256 2.000 3.208 20.374 1.00 17.91 C 1896 | ATOM 1895 NE ARG A 256 1.626 1.846 20.627 1.00 17.42 N 1897 | ATOM 1896 CZ ARG A 256 0.784 1.451 21.568 1.00 19.08 C 1898 | ATOM 1897 NH1 ARG A 256 0.364 2.293 22.429 1.00 21.18 N1+ 1899 | ATOM 1898 NH2 ARG A 256 0.473 0.197 21.630 1.00 23.26 N 1900 | ATOM 1899 N THR A 257 0.747 7.722 16.977 1.00 14.64 N 1901 | ATOM 1900 CA THR A 257 1.226 9.051 16.658 1.00 15.11 C 1902 | ATOM 1901 C THR A 257 0.501 10.093 17.497 1.00 14.64 C 1903 | ATOM 1902 O THR A 257 -0.605 9.879 17.876 1.00 17.17 O 1904 | ATOM 1903 CB THR A 257 1.178 9.340 15.135 1.00 16.34 C 1905 | ATOM 1904 CG2 THR A 257 -0.235 9.685 14.671 1.00 19.21 C 1906 | ATOM 1905 OG1 THR A 257 2.054 10.396 14.809 1.00 17.56 O 1907 | ATOM 1906 N ALA A 258 1.159 11.182 17.778 1.00 15.90 N 1908 | ATOM 1907 CA ALA A 258 0.591 12.256 18.559 1.00 16.34 C 1909 | ATOM 1908 C ALA A 258 1.150 13.590 18.138 1.00 18.19 C 1910 | ATOM 1909 O ALA A 258 2.270 13.695 17.779 1.00 16.99 O 1911 | ATOM 1910 CB ALA A 258 0.847 12.012 20.039 1.00 18.92 C 1912 | ATOM 1911 N ASN A 259 0.305 14.608 18.142 1.00 20.24 N 1913 | ATOM 1912 CA ASN A 259 0.653 15.966 17.805 1.00 18.96 C 1914 | ATOM 1913 C ASN A 259 1.251 16.169 16.422 1.00 19.10 C 1915 | ATOM 1914 O ASN A 259 1.994 17.048 16.232 1.00 22.09 O 1916 | ATOM 1915 CB ASN A 259 1.633 16.536 18.829 1.00 22.89 C 1917 | ATOM 1916 CG ASN A 259 1.036 16.717 20.203 1.00 35.19 C 1918 | ATOM 1917 ND2 ASN A 259 -0.037 17.440 20.279 1.00 34.36 N 1919 | ATOM 1918 OD1 ASN A 259 1.569 16.262 21.166 1.00 40.16 O 1920 | ATOM 1919 N CYS A 260 0.880 15.340 15.485 1.00 21.01 N 1921 | ATOM 1920 CA CYS A 260 1.419 15.407 14.133 1.00 20.91 C 1922 | ATOM 1921 C CYS A 260 0.548 16.266 13.221 1.00 21.16 C 1923 | ATOM 1922 O CYS A 260 -0.617 16.244 13.333 1.00 26.90 O 1924 | ATOM 1923 CB CYS A 260 1.517 13.964 13.591 1.00 22.28 C 1925 | ATOM 1924 SG CYS A 260 2.591 13.751 12.153 1.00 30.33 S 1926 | ATOM 1925 N SER A 261 1.144 17.029 12.338 1.00 22.02 N 1927 | ATOM 1926 CA SER A 261 0.406 17.839 11.375 1.00 25.46 C 1928 | ATOM 1927 C SER A 261 1.272 18.058 10.144 1.00 25.99 C 1929 | ATOM 1928 O SER A 261 0.886 18.723 9.236 1.00 26.47 O 1930 | ATOM 1929 CB SER A 261 0.105 19.214 11.947 1.00 29.38 C 1931 | ATOM 1930 OG SER A 261 1.319 19.861 12.244 1.00 29.68 O 1932 | ATOM 1931 OXT SER A 261 2.360 17.575 10.109 1.00 27.16 O1- 1933 | TER 1934 | END 1935 | --------------------------------------------------------------------------------