├── HackingStructBiology-ProductionData.ipynb ├── HackingStructBiology.ipynb ├── README.md └── assets ├── .DS_Store ├── 3WVY_simulation.pdb ├── 3WVY_trajectory.dcd ├── LysozymeCartoon.tga ├── LysozymeLicorice.tga ├── LysozymeRock.gif ├── LysozymeSequence.png ├── LysozymeStructure.gif ├── LysozymeStructure.vcr ├── LysozymeStructure.vmd ├── LysozymeVDW.tga ├── MDforcefield.png ├── MDpdb.png ├── MDsimulate.gif ├── NAVAB_XTAL_PD-DIHEREST-CHARMM_NONB_WT_SOD150_DEMO_DIHE.pkl ├── NAVAB_XTAL_PD-DIHEREST-CHARMM_NONB_WT_SOD150_DEMO_MERGE.pkl ├── NAVAB_XTAL_PD-NORES-0kcal-CHARMM_NONB_WT_SOD150_DEMO_COORD1ST.pkl ├── NAVAB_XTAL_PD-NORES-0kcal-CHARMM_NONB_WT_SOD150_DEMO_DIHE.pkl ├── NAVAB_XTAL_PD-NORES-0kcal-CHARMM_NONB_WT_SOD150_DEMO_MERGE.pkl ├── NavAbSideViewCoordination.png ├── NavAbSideViewDunking.png ├── NavAbSideViewOccupancy.png ├── NavAbSideViewRawData.png ├── NavAbSystemIsometric.gif ├── Synapse.gif ├── Synapse2.gif ├── Synapse3.gif ├── ThanksCC.png ├── ThanksCIHR.jpg ├── ThanksMDTraj.png ├── ThanksOpenMM.png ├── ThanksPyCon.png ├── ThanksSickKids.png ├── ThanksUofT.png ├── na_prod_view.gro └── prod_7_view.xtc /README.md: -------------------------------------------------------------------------------- 1 | ## Hacking Structural Biology with Python and pandas 2 | ### PyCon Canada 2015, November 7th 2015 3 | 4 | ### Abstract 5 | 6 | The dynamic motions of biomolecules like DNA, RNA, and proteins are integral to our understanding of drugs, disease, and human health. By performing large-scale supercomputer simulations, one can model the motion of proteins in ways impractical or impossible using traditional lab bench experiments. 7 | 8 | While data science approaches are ubiquitous in the field of genomics, commonly dealing with massive genetic sequence and expression datasets, the application of ""big data"" methodology is infrequently used in the field of structural biology due to the high computational expense of running simulations. However, advances in high-performance computing are resulting in increased dataset sizes and data analysis is emerging as the primary bottleneck to scientific discovery. 9 | 10 | In this talk, I present the use of Python and Pandas to accelerate analysis of time series data extracted from molecular dynamics trajectories. The application of this approach is directed at the study of the voltage-gated sodium channel, a protein found in human neurons that is responsible for propagating nerve impulses. Using a Jupyter notebook, I perform exploratory analysis on a large dataset of trajectories and arrive at a mechanistic model for the function of this protein. This model may then be used to quantify how genetic diseases and drugs might alter the function of the protein in subsequent research. 11 | 12 | ### Addendum 13 | 14 | A mechanistic model of sodium permeation will be presented in a follow-up notebook. Note that the full dataset presented in "HackingStructBiology-ProductionData.ipynb" is not distributed in assets but the embedded plots in that notebook reflect the full dataset. The "HackingStructBiology.ipynb" version of this talk references a subset of production data in assets, so all cells of the notebook will run but the plots are much more sparse. Also note that the Github previews of each notebook do not render the protein viewer widget. 15 | 16 | ### Dependencies 17 | 18 | * numpy (for some math) 19 | * pandas (for data analysis) 20 | * matplotlib (for plotting) 21 | * openmm (for simulations) 22 | * mdtraj (for simulation analysis) 23 | * ipywidgets (for embedded protein viewer) 24 | -------------------------------------------------------------------------------- /assets/.DS_Store: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/cing/HackingStructBiolTalk/d58a716f9557eb89c92f395d7764e7f4a5ab7e64/assets/.DS_Store -------------------------------------------------------------------------------- /assets/3WVY_simulation.pdb: -------------------------------------------------------------------------------- 1 | REMARK 1 CREATED WITH OPENMM 6.3, 2015-11-06 2 | CRYST1 77.219 77.219 38.273 90.00 90.00 90.00 P 1 1 3 | ATOM 1 N LYS A 1 2.294 9.220 -8.577 1.00 0.00 N 4 | ATOM 2 H LYS A 1 2.979 9.257 -7.848 1.00 0.00 H 5 | ATOM 3 H2 LYS A 1 1.969 8.357 -8.163 1.00 0.00 H 6 | ATOM 4 H3 LYS A 1 2.899 9.671 -9.249 1.00 0.00 H 7 | ATOM 5 CA LYS A 1 1.375 9.623 -9.628 1.00 0.00 C 8 | ATOM 6 HA LYS A 1 1.618 9.130 -10.465 1.00 0.00 H 9 | ATOM 7 C LYS A 1 1.525 11.130 -9.906 1.00 0.00 C 10 | ATOM 8 O LYS A 1 1.522 11.866 -9.007 1.00 0.00 O 11 | ATOM 9 CB LYS A 1 -0.041 9.275 -9.177 1.00 0.00 C 12 | ATOM 10 HB2 LYS A 1 -0.437 9.946 -8.545 1.00 0.00 H 13 | ATOM 11 HB3 LYS A 1 -0.006 8.296 -8.961 1.00 0.00 H 14 | ATOM 12 CG LYS A 1 -1.115 9.686 -10.089 1.00 0.00 C 15 | ATOM 13 HG2 LYS A 1 -0.956 10.104 -10.985 1.00 0.00 H 16 | ATOM 14 HG3 LYS A 1 -0.832 10.209 -10.894 1.00 0.00 H 17 | ATOM 15 CD LYS A 1 -2.479 9.142 -9.683 1.00 0.00 C 18 | ATOM 16 HD2 LYS A 1 -2.616 8.619 -8.840 1.00 0.00 H 19 | ATOM 17 HD3 LYS A 1 -2.582 8.507 -8.916 1.00 0.00 H 20 | ATOM 18 CE LYS A 1 -3.601 9.794 -10.549 1.00 0.00 C 21 | ATOM 19 HE2 LYS A 1 -3.509 10.722 -10.913 1.00 0.00 H 22 | ATOM 20 HE3 LYS A 1 -3.516 10.405 -11.338 1.00 0.00 H 23 | ATOM 21 NZ LYS A 1 -4.866 9.072 -10.492 1.00 0.00 N 24 | ATOM 22 HZ1 LYS A 1 -5.607 8.839 -11.126 1.00 0.00 H 25 | ATOM 23 HZ2 LYS A 1 -4.606 8.795 -9.553 1.00 0.00 H 26 | ATOM 24 HZ3 LYS A 1 -5.686 8.984 -11.064 1.00 0.00 H 27 | ATOM 25 N VAL A 2 1.639 11.505 -11.167 1.00 0.00 N 28 | ATOM 26 H VAL A 2 2.074 10.869 -11.806 1.00 0.00 H 29 | ATOM 27 CA VAL A 2 1.502 12.897 -11.557 1.00 0.00 C 30 | ATOM 28 HA VAL A 2 1.759 13.476 -10.782 1.00 0.00 H 31 | ATOM 29 C VAL A 2 0.056 13.155 -12.037 1.00 0.00 C 32 | ATOM 30 O VAL A 2 -0.321 12.669 -13.058 1.00 0.00 O 33 | ATOM 31 CB VAL A 2 2.603 13.362 -12.595 1.00 0.00 C 34 | ATOM 32 HB VAL A 2 2.607 12.837 -13.448 1.00 0.00 H 35 | ATOM 33 CG1 VAL A 2 2.489 14.872 -12.907 1.00 0.00 C 36 | ATOM 34 HG11 VAL A 2 2.165 14.723 -13.852 1.00 0.00 H 37 | ATOM 35 HG12 VAL A 2 2.817 15.566 -12.261 1.00 0.00 H 38 | ATOM 36 HG13 VAL A 2 2.873 15.506 -12.231 1.00 0.00 H 39 | ATOM 37 CG2 VAL A 2 3.977 13.094 -12.071 1.00 0.00 C 40 | ATOM 38 HG21 VAL A 2 4.262 13.824 -12.692 1.00 0.00 H 41 | ATOM 39 HG22 VAL A 2 4.797 13.251 -11.518 1.00 0.00 H 42 | ATOM 40 HG23 VAL A 2 3.814 12.161 -11.754 1.00 0.00 H 43 | ATOM 41 N PHE A 3 -0.695 13.919 -11.250 1.00 0.00 N 44 | ATOM 42 H PHE A 3 -0.263 14.420 -10.499 1.00 0.00 H 45 | ATOM 43 CA PHE A 3 -2.062 14.277 -11.589 1.00 0.00 C 46 | ATOM 44 HA PHE A 3 -2.468 13.409 -11.880 1.00 0.00 H 47 | ATOM 45 C PHE A 3 -2.103 15.297 -12.715 1.00 0.00 C 48 | ATOM 46 O PHE A 3 -1.240 16.091 -12.861 1.00 0.00 O 49 | ATOM 47 CB PHE A 3 -2.816 14.811 -10.346 1.00 0.00 C 50 | ATOM 48 HB2 PHE A 3 -2.462 15.727 -10.148 1.00 0.00 H 51 | ATOM 49 HB3 PHE A 3 -2.892 15.690 -9.873 1.00 0.00 H 52 | ATOM 50 CG PHE A 3 -3.409 13.721 -9.434 1.00 0.00 C 53 | ATOM 51 CD1 PHE A 3 -4.756 13.455 -9.441 1.00 0.00 C 54 | ATOM 52 HD1 PHE A 3 -5.294 14.050 -10.040 1.00 0.00 H 55 | ATOM 53 CD2 PHE A 3 -2.641 13.016 -8.525 1.00 0.00 C 56 | ATOM 54 HD2 PHE A 3 -1.653 13.178 -8.533 1.00 0.00 H 57 | ATOM 55 CE1 PHE A 3 -5.300 12.540 -8.615 1.00 0.00 C 58 | ATOM 56 HE1 PHE A 3 -6.290 12.488 -8.477 1.00 0.00 H 59 | ATOM 57 CE2 PHE A 3 -3.206 12.081 -7.700 1.00 0.00 C 60 | ATOM 58 HE2 PHE A 3 -2.666 11.608 -7.002 1.00 0.00 H 61 | ATOM 59 CZ PHE A 3 -4.516 11.836 -7.738 1.00 0.00 C 62 | ATOM 60 HZ PHE A 3 -4.929 11.162 -7.124 1.00 0.00 H 63 | ATOM 61 N GLY A 4 -3.150 15.206 -13.507 1.00 0.00 N 64 | ATOM 62 H GLY A 4 -3.657 14.356 -13.659 1.00 0.00 H 65 | ATOM 63 CA GLY A 4 -3.518 16.348 -14.319 1.00 0.00 C 66 | ATOM 64 HA2 GLY A 4 -3.468 16.283 -15.317 1.00 0.00 H 67 | ATOM 65 HA3 GLY A 4 -2.986 16.529 -15.148 1.00 0.00 H 68 | ATOM 66 C GLY A 4 -4.213 17.417 -13.478 1.00 0.00 C 69 | ATOM 67 O GLY A 4 -4.708 17.123 -12.443 1.00 0.00 O 70 | ATOM 68 N ARG A 5 -4.252 18.637 -13.981 1.00 0.00 N 71 | ATOM 69 H ARG A 5 -3.547 18.860 -14.656 1.00 0.00 H 72 | ATOM 70 CA ARG A 5 -4.856 19.742 -13.255 1.00 0.00 C 73 | ATOM 71 HA ARG A 5 -4.304 19.853 -12.427 1.00 0.00 H 74 | ATOM 72 C ARG A 5 -6.299 19.433 -12.901 1.00 0.00 C 75 | ATOM 73 O ARG A 5 -6.650 19.425 -11.779 1.00 0.00 O 76 | ATOM 74 CB ARG A 5 -4.732 21.036 -14.048 1.00 0.00 C 77 | ATOM 75 HB2 ARG A 5 -3.917 21.366 -14.529 1.00 0.00 H 78 | ATOM 76 HB3 ARG A 5 -4.321 20.950 -14.958 1.00 0.00 H 79 | ATOM 77 CG ARG A 5 -5.333 22.239 -13.387 1.00 0.00 C 80 | ATOM 78 HG2 ARG A 5 -4.901 21.893 -12.554 1.00 0.00 H 81 | ATOM 79 HG3 ARG A 5 -6.220 22.670 -13.218 1.00 0.00 H 82 | ATOM 80 CD ARG A 5 -5.087 23.507 -14.142 1.00 0.00 C 83 | ATOM 81 HD2 ARG A 5 -4.537 24.315 -13.926 1.00 0.00 H 84 | ATOM 82 HD3 ARG A 5 -4.629 24.364 -13.901 1.00 0.00 H 85 | ATOM 83 NE ARG A 5 -5.564 23.410 -15.525 1.00 0.00 N 86 | ATOM 84 HE ARG A 5 -4.835 23.248 -16.192 1.00 0.00 H 87 | ATOM 85 CZ ARG A 5 -6.785 23.706 -15.902 1.00 0.00 C 88 | ATOM 86 NH1 ARG A 5 -7.644 24.119 -15.029 1.00 0.00 N 89 | ATOM 87 HH11 ARG A 5 -8.377 24.588 -14.533 1.00 0.00 H 90 | ATOM 88 HH12 ARG A 5 -7.885 24.666 -14.225 1.00 0.00 H 91 | ATOM 89 NH2 ARG A 5 -7.135 23.604 -17.164 1.00 0.00 N 92 | ATOM 90 HH21 ARG A 5 -7.544 23.066 -17.899 1.00 0.00 H 93 | ATOM 91 HH22 ARG A 5 -6.757 24.273 -17.798 1.00 0.00 H 94 | ATOM 92 N CYS A 6 -7.123 19.204 -13.886 1.00 0.00 N 95 | ATOM 93 H CYS A 6 -6.778 19.497 -14.778 1.00 0.00 H 96 | ATOM 94 CA CYS A 6 -8.502 18.905 -13.573 1.00 0.00 C 97 | ATOM 95 HA CYS A 6 -8.853 19.679 -13.044 1.00 0.00 H 98 | ATOM 96 C CYS A 6 -8.745 17.589 -12.864 1.00 0.00 C 99 | ATOM 97 O CYS A 6 -9.674 17.430 -12.144 1.00 0.00 O 100 | ATOM 98 CB CYS A 6 -9.348 18.913 -14.835 1.00 0.00 C 101 | ATOM 99 HB2 CYS A 6 -8.719 18.236 -15.225 1.00 0.00 H 102 | ATOM 100 HB3 CYS A 6 -10.315 18.764 -15.062 1.00 0.00 H 103 | ATOM 101 SG CYS A 6 -9.606 20.557 -15.605 1.00 0.00 S 104 | ATOM 102 N GLU A 7 -7.918 16.616 -13.149 1.00 0.00 N 105 | ATOM 103 H GLU A 7 -7.255 16.778 -13.882 1.00 0.00 H 106 | ATOM 104 CA GLU A 7 -7.954 15.376 -12.426 1.00 0.00 C 107 | ATOM 105 HA GLU A 7 -8.864 14.977 -12.544 1.00 0.00 H 108 | ATOM 106 C GLU A 7 -7.755 15.575 -10.920 1.00 0.00 C 109 | ATOM 107 O GLU A 7 -8.478 15.023 -10.121 1.00 0.00 O 110 | ATOM 108 CB GLU A 7 -6.909 14.412 -12.995 1.00 0.00 C 111 | ATOM 109 HB2 GLU A 7 -6.129 15.011 -12.814 1.00 0.00 H 112 | ATOM 110 HB3 GLU A 7 -6.910 14.081 -13.940 1.00 0.00 H 113 | ATOM 111 CG GLU A 7 -6.912 13.004 -12.387 1.00 0.00 C 114 | ATOM 112 HG2 GLU A 7 -7.436 12.636 -11.617 1.00 0.00 H 115 | ATOM 113 HG3 GLU A 7 -7.376 12.683 -11.560 1.00 0.00 H 116 | ATOM 114 CD GLU A 7 -5.732 12.144 -12.865 1.00 0.00 C 117 | ATOM 115 OE1 GLU A 7 -4.773 12.666 -13.358 1.00 0.00 O 118 | ATOM 116 OE2 GLU A 7 -5.877 10.948 -12.744 1.00 0.00 O 119 | ATOM 117 N LEU A 8 -6.782 16.389 -10.571 1.00 0.00 N 120 | ATOM 118 H LEU A 8 -6.236 16.924 -11.217 1.00 0.00 H 121 | ATOM 119 CA LEU A 8 -6.511 16.655 -9.177 1.00 0.00 C 122 | ATOM 120 HA LEU A 8 -6.416 15.830 -8.617 1.00 0.00 H 123 | ATOM 121 C LEU A 8 -7.645 17.487 -8.585 1.00 0.00 C 124 | ATOM 122 O LEU A 8 -8.065 17.240 -7.504 1.00 0.00 O 125 | ATOM 123 CB LEU A 8 -5.180 17.384 -9.016 1.00 0.00 C 126 | ATOM 124 HB2 LEU A 8 -4.584 17.803 -9.703 1.00 0.00 H 127 | ATOM 125 HB3 LEU A 8 -4.578 17.932 -9.599 1.00 0.00 H 128 | ATOM 126 CG LEU A 8 -4.855 17.662 -7.542 1.00 0.00 C 129 | ATOM 127 HG LEU A 8 -5.503 18.250 -7.056 1.00 0.00 H 130 | ATOM 128 CD1 LEU A 8 -4.759 16.416 -6.690 1.00 0.00 C 131 | ATOM 129 HD11 LEU A 8 -4.394 15.802 -5.989 1.00 0.00 H 132 | ATOM 130 HD12 LEU A 8 -4.455 15.820 -5.945 1.00 0.00 H 133 | ATOM 131 HD13 LEU A 8 -4.472 15.766 -5.985 1.00 0.00 H 134 | ATOM 132 CD2 LEU A 8 -3.639 18.468 -7.445 1.00 0.00 C 135 | ATOM 133 HD21 LEU A 8 -4.287 19.233 -7.511 1.00 0.00 H 136 | ATOM 134 HD22 LEU A 8 -2.692 18.175 -7.298 1.00 0.00 H 137 | ATOM 135 HD23 LEU A 8 -2.650 18.345 -7.348 1.00 0.00 H 138 | ATOM 136 N ALA A 9 -8.138 18.437 -9.356 1.00 0.00 N 139 | ATOM 137 H ALA A 9 -7.450 18.898 -9.919 1.00 0.00 H 140 | ATOM 138 CA ALA A 9 -9.286 19.230 -8.901 1.00 0.00 C 141 | ATOM 139 HA ALA A 9 -9.031 19.622 -8.015 1.00 0.00 H 142 | ATOM 140 C ALA A 9 -10.472 18.349 -8.561 1.00 0.00 C 143 | ATOM 141 O ALA A 9 -11.093 18.541 -7.569 1.00 0.00 O 144 | ATOM 142 CB ALA A 9 -9.686 20.308 -9.942 1.00 0.00 C 145 | ATOM 143 HB1 ALA A 9 -8.809 20.752 -10.153 1.00 0.00 H 146 | ATOM 144 HB2 ALA A 9 -10.096 20.025 -10.816 1.00 0.00 H 147 | ATOM 145 HB3 ALA A 9 -10.299 20.832 -9.341 1.00 0.00 H 148 | ATOM 146 N ALA A 10 -10.766 17.396 -9.422 1.00 0.00 N 149 | ATOM 147 H ALA A 10 -10.213 17.618 -10.224 1.00 0.00 H 150 | ATOM 148 CA ALA A 10 -11.869 16.518 -9.142 1.00 0.00 C 151 | ATOM 149 HA ALA A 10 -12.720 16.973 -8.876 1.00 0.00 H 152 | ATOM 150 C ALA A 10 -11.658 15.646 -7.910 1.00 0.00 C 153 | ATOM 151 O ALA A 10 -12.585 15.392 -7.186 1.00 0.00 O 154 | ATOM 152 CB ALA A 10 -12.193 15.664 -10.375 1.00 0.00 C 155 | ATOM 153 HB1 ALA A 10 -11.645 15.567 -11.193 1.00 0.00 H 156 | ATOM 154 HB2 ALA A 10 -12.362 14.764 -10.759 1.00 0.00 H 157 | ATOM 155 HB3 ALA A 10 -12.905 15.518 -11.061 1.00 0.00 H 158 | ATOM 156 N ALA A 11 -10.423 15.212 -7.700 1.00 0.00 N 159 | ATOM 157 H ALA A 11 -9.609 15.459 -8.228 1.00 0.00 H 160 | ATOM 158 CA ALA A 11 -10.159 14.367 -6.568 1.00 0.00 C 161 | ATOM 159 HA ALA A 11 -10.714 13.544 -6.440 1.00 0.00 H 162 | ATOM 160 C ALA A 11 -10.244 15.168 -5.283 1.00 0.00 C 163 | ATOM 161 O ALA A 11 -10.714 14.674 -4.291 1.00 0.00 O 164 | ATOM 162 CB ALA A 11 -8.806 13.660 -6.686 1.00 0.00 C 165 | ATOM 163 HB1 ALA A 11 -8.093 13.272 -7.271 1.00 0.00 H 166 | ATOM 164 HB2 ALA A 11 -8.763 14.027 -5.758 1.00 0.00 H 167 | ATOM 165 HB3 ALA A 11 -8.367 13.052 -7.348 1.00 0.00 H 168 | ATOM 166 N MET A 12 -9.742 16.393 -5.319 1.00 0.00 N 169 | ATOM 167 H MET A 12 -9.090 16.685 -6.020 1.00 0.00 H 170 | ATOM 168 CA MET A 12 -9.798 17.244 -4.155 1.00 0.00 C 171 | ATOM 169 HA MET A 12 -9.461 16.837 -3.305 1.00 0.00 H 172 | ATOM 170 C MET A 12 -11.236 17.628 -3.788 1.00 0.00 C 173 | ATOM 171 O MET A 12 -11.574 17.665 -2.656 1.00 0.00 O 174 | ATOM 172 CB MET A 12 -8.954 18.509 -4.341 1.00 0.00 C 175 | ATOM 173 HB2 MET A 12 -9.082 19.489 -4.183 1.00 0.00 H 176 | ATOM 174 HB3 MET A 12 -9.096 19.473 -4.111 1.00 0.00 H 177 | ATOM 175 CG MET A 12 -7.501 18.264 -4.297 1.00 0.00 C 178 | ATOM 176 HG2 MET A 12 -7.020 18.328 -3.423 1.00 0.00 H 179 | ATOM 177 HG3 MET A 12 -7.242 17.360 -4.640 1.00 0.00 H 180 | ATOM 178 SD MET A 12 -6.568 19.788 -4.674 1.00 0.00 S 181 | ATOM 179 CE MET A 12 -4.959 19.398 -3.870 1.00 0.00 C 182 | ATOM 180 HE1 MET A 12 -5.032 20.372 -4.095 1.00 0.00 H 183 | ATOM 181 HE2 MET A 12 -4.409 19.345 -3.034 1.00 0.00 H 184 | ATOM 182 HE3 MET A 12 -4.946 18.456 -4.221 1.00 0.00 H 185 | ATOM 183 N LYS A 13 -12.024 17.914 -4.785 1.00 0.00 N 186 | ATOM 184 H LYS A 13 -11.493 18.333 -5.523 1.00 0.00 H 187 | ATOM 185 CA LYS A 13 -13.428 18.134 -4.570 1.00 0.00 C 188 | ATOM 186 HA LYS A 13 -13.459 18.880 -3.902 1.00 0.00 H 189 | ATOM 187 C LYS A 13 -14.196 16.928 -4.006 1.00 0.00 C 190 | ATOM 188 O LYS A 13 -14.963 17.076 -3.094 1.00 0.00 O 191 | ATOM 189 CB LYS A 13 -14.098 18.603 -5.859 1.00 0.00 C 192 | ATOM 190 HB2 LYS A 13 -13.764 19.545 -5.904 1.00 0.00 H 193 | ATOM 191 HB3 LYS A 13 -13.868 17.926 -6.559 1.00 0.00 H 194 | ATOM 192 CG LYS A 13 -15.607 18.852 -5.687 1.00 0.00 C 195 | ATOM 193 HG2 LYS A 13 -16.161 18.483 -4.939 1.00 0.00 H 196 | ATOM 194 HG3 LYS A 13 -16.054 18.745 -4.798 1.00 0.00 H 197 | ATOM 195 CD LYS A 13 -16.132 19.815 -6.615 1.00 0.00 C 198 | ATOM 196 HD2 LYS A 13 -16.074 20.807 -6.496 1.00 0.00 H 199 | ATOM 197 HD3 LYS A 13 -15.624 19.613 -7.453 1.00 0.00 H 200 | ATOM 198 CE LYS A 13 -17.596 20.085 -6.308 1.00 0.00 C 201 | ATOM 199 HE2 LYS A 13 -18.523 20.341 -6.591 1.00 0.00 H 202 | ATOM 200 HE3 LYS A 13 -17.982 19.163 -6.227 1.00 0.00 H 203 | ATOM 201 NZ LYS A 13 -17.742 21.366 -5.585 1.00 0.00 N 204 | ATOM 202 HZ1 LYS A 13 -17.543 22.254 -5.999 1.00 0.00 H 205 | ATOM 203 HZ2 LYS A 13 -18.189 21.017 -4.764 1.00 0.00 H 206 | ATOM 204 HZ3 LYS A 13 -17.504 22.325 -5.740 1.00 0.00 H 207 | ATOM 205 N ARG A 14 -13.952 15.767 -4.580 1.00 0.00 N 208 | ATOM 206 H ARG A 14 -13.386 15.817 -5.404 1.00 0.00 H 209 | ATOM 207 CA ARG A 14 -14.524 14.570 -4.030 1.00 0.00 C 210 | ATOM 208 HA ARG A 14 -15.509 14.742 -4.076 1.00 0.00 H 211 | ATOM 209 C ARG A 14 -14.219 14.355 -2.572 1.00 0.00 C 212 | ATOM 210 O ARG A 14 -15.036 13.864 -1.856 1.00 0.00 O 213 | ATOM 211 CB ARG A 14 -14.170 13.351 -4.883 1.00 0.00 C 214 | ATOM 212 HB2 ARG A 14 -13.898 13.005 -5.784 1.00 0.00 H 215 | ATOM 213 HB3 ARG A 14 -13.330 13.820 -5.167 1.00 0.00 H 216 | ATOM 214 CG ARG A 14 -14.731 12.136 -4.329 1.00 0.00 C 217 | ATOM 215 HG2 ARG A 14 -14.737 11.719 -3.418 1.00 0.00 H 218 | ATOM 216 HG3 ARG A 14 -15.314 12.202 -3.516 1.00 0.00 H 219 | ATOM 217 CD ARG A 14 -14.623 11.020 -5.269 1.00 0.00 C 220 | ATOM 218 HD2 ARG A 14 -15.505 10.625 -5.532 1.00 0.00 H 221 | ATOM 219 HD3 ARG A 14 -15.353 10.410 -5.582 1.00 0.00 H 222 | ATOM 220 NE ARG A 14 -13.277 10.837 -5.786 1.00 0.00 N 223 | ATOM 221 HE ARG A 14 -13.050 11.217 -6.684 1.00 0.00 H 224 | ATOM 222 CZ ARG A 14 -12.295 10.166 -5.212 1.00 0.00 C 225 | ATOM 223 NH1 ARG A 14 -12.479 9.470 -4.101 1.00 0.00 N 226 | ATOM 224 HH11 ARG A 14 -12.648 10.030 -3.290 1.00 0.00 H 227 | ATOM 225 HH12 ARG A 14 -12.447 8.486 -3.922 1.00 0.00 H 228 | ATOM 226 NH2 ARG A 14 -11.144 10.186 -5.813 1.00 0.00 N 229 | ATOM 227 HH21 ARG A 14 -10.177 10.175 -6.073 1.00 0.00 H 230 | ATOM 228 HH22 ARG A 14 -10.209 10.146 -6.167 1.00 0.00 H 231 | ATOM 229 N HIS A 15 -13.009 14.700 -2.190 1.00 0.00 N 232 | ATOM 230 H HIS A 15 -12.292 15.120 -2.748 1.00 0.00 H 233 | ATOM 231 CA HIS A 15 -12.554 14.479 -0.852 1.00 0.00 C 234 | ATOM 232 HA HIS A 15 -12.945 13.725 -0.322 1.00 0.00 H 235 | ATOM 233 C HIS A 15 -12.907 15.624 0.101 1.00 0.00 C 236 | ATOM 234 O HIS A 15 -12.404 15.642 1.182 1.00 0.00 O 237 | ATOM 235 CB HIS A 15 -11.030 14.209 -0.847 1.00 0.00 C 238 | ATOM 236 HB2 HIS A 15 -10.332 14.892 -0.627 1.00 0.00 H 239 | ATOM 237 HB3 HIS A 15 -10.313 14.876 -0.639 1.00 0.00 H 240 | ATOM 238 CG HIS A 15 -10.672 12.801 -1.161 1.00 0.00 C 241 | ATOM 239 ND1 HIS A 15 -10.097 12.420 -2.351 1.00 0.00 N 242 | ATOM 240 HD1 HIS A 15 -9.573 13.103 -2.862 1.00 0.00 H 243 | ATOM 241 CD2 HIS A 15 -10.809 11.671 -0.441 1.00 0.00 C 244 | ATOM 242 HD2 HIS A 15 -11.135 11.558 0.499 1.00 0.00 H 245 | ATOM 243 CE1 HIS A 15 -9.883 11.131 -2.343 1.00 0.00 C 246 | ATOM 244 HE1 HIS A 15 -9.430 10.596 -3.058 1.00 0.00 H 247 | ATOM 245 NE2 HIS A 15 -10.315 10.650 -1.204 1.00 0.00 N 248 | ATOM 246 N GLY A 16 -13.730 16.566 -0.344 1.00 0.00 N 249 | ATOM 247 H GLY A 16 -13.842 16.961 -1.257 1.00 0.00 H 250 | ATOM 248 CA GLY A 16 -14.222 17.625 0.506 1.00 0.00 C 251 | ATOM 249 HA2 GLY A 16 -15.157 17.985 0.450 1.00 0.00 H 252 | ATOM 250 HA3 GLY A 16 -14.622 17.202 1.323 1.00 0.00 H 253 | ATOM 251 C GLY A 16 -13.323 18.841 0.756 1.00 0.00 C 254 | ATOM 252 O GLY A 16 -13.526 19.549 1.693 1.00 0.00 O 255 | ATOM 253 N LEU A 17 -12.353 19.113 -0.107 1.00 0.00 N 256 | ATOM 254 H LEU A 17 -11.844 18.345 -0.498 1.00 0.00 H 257 | ATOM 255 CA LEU A 17 -11.489 20.283 0.085 1.00 0.00 C 258 | ATOM 256 HA LEU A 17 -11.388 20.389 1.075 1.00 0.00 H 259 | ATOM 257 C LEU A 17 -12.043 21.579 -0.441 1.00 0.00 C 260 | ATOM 258 O LEU A 17 -11.634 22.598 -0.007 1.00 0.00 O 261 | ATOM 259 CB LEU A 17 -10.122 20.112 -0.583 1.00 0.00 C 262 | ATOM 260 HB2 LEU A 17 -9.813 20.659 -1.363 1.00 0.00 H 263 | ATOM 261 HB3 LEU A 17 -9.920 20.707 -1.362 1.00 0.00 H 264 | ATOM 262 CG LEU A 17 -9.022 19.398 0.105 1.00 0.00 C 265 | ATOM 263 HG LEU A 17 -9.289 18.433 0.108 1.00 0.00 H 266 | ATOM 264 CD1 LEU A 17 -7.722 19.465 -0.633 1.00 0.00 C 267 | ATOM 265 HD11 LEU A 17 -6.864 19.856 -0.975 1.00 0.00 H 268 | ATOM 266 HD12 LEU A 17 -6.896 19.882 -1.019 1.00 0.00 H 269 | ATOM 267 HD13 LEU A 17 -6.837 18.986 -0.608 1.00 0.00 H 270 | ATOM 268 CD2 LEU A 17 -8.830 19.837 1.564 1.00 0.00 C 271 | ATOM 269 HD21 LEU A 17 -9.658 19.609 2.081 1.00 0.00 H 272 | ATOM 270 HD22 LEU A 17 -8.552 19.961 2.524 1.00 0.00 H 273 | ATOM 271 HD23 LEU A 17 -8.085 20.318 1.080 1.00 0.00 H 274 | ATOM 272 N ASP A 18 -12.938 21.489 -1.401 1.00 0.00 N 275 | ATOM 273 H ASP A 18 -13.044 20.540 -1.695 1.00 0.00 H 276 | ATOM 274 CA ASP A 18 -13.608 22.651 -1.914 1.00 0.00 C 277 | ATOM 275 HA ASP A 18 -12.866 23.231 -2.253 1.00 0.00 H 278 | ATOM 276 C ASP A 18 -14.369 23.499 -0.880 1.00 0.00 C 279 | ATOM 277 O ASP A 18 -15.385 23.062 -0.389 1.00 0.00 O 280 | ATOM 278 CB ASP A 18 -14.557 22.240 -3.041 1.00 0.00 C 281 | ATOM 279 HB2 ASP A 18 -14.179 22.493 -3.935 1.00 0.00 H 282 | ATOM 280 HB3 ASP A 18 -15.211 22.962 -3.283 1.00 0.00 H 283 | ATOM 281 CG ASP A 18 -15.399 20.939 -2.720 1.00 0.00 C 284 | ATOM 282 OD1 ASP A 18 -15.081 19.942 -2.038 1.00 0.00 O 285 | ATOM 283 OD2 ASP A 18 -16.445 20.950 -3.272 1.00 0.00 O 286 | ATOM 284 N ASN A 19 -13.886 24.691 -0.582 1.00 0.00 N 287 | ATOM 285 H ASN A 19 -13.079 25.088 -1.021 1.00 0.00 H 288 | ATOM 286 CA ASN A 19 -14.433 25.545 0.464 1.00 0.00 C 289 | ATOM 287 HA ASN A 19 -14.021 26.451 0.569 1.00 0.00 H 290 | ATOM 288 C ASN A 19 -14.142 25.074 1.860 1.00 0.00 C 291 | ATOM 289 O ASN A 19 -14.764 25.554 2.783 1.00 0.00 O 292 | ATOM 290 CB ASN A 19 -15.917 25.847 0.261 1.00 0.00 C 293 | ATOM 291 HB2 ASN A 19 -16.053 26.671 0.811 1.00 0.00 H 294 | ATOM 292 HB3 ASN A 19 -16.547 25.101 0.483 1.00 0.00 H 295 | ATOM 293 CG ASN A 19 -16.212 26.498 -1.107 1.00 0.00 C 296 | ATOM 294 OD1 ASN A 19 -17.042 26.023 -1.843 1.00 0.00 O 297 | ATOM 295 ND2 ASN A 19 -15.515 27.522 -1.441 1.00 0.00 N 298 | ATOM 296 HD21 ASN A 19 -14.683 28.073 -1.346 1.00 0.00 H 299 | ATOM 297 HD22 ASN A 19 -16.071 28.337 -1.624 1.00 0.00 H 300 | ATOM 298 N TYR A 20 -13.207 24.151 2.007 1.00 0.00 N 301 | ATOM 299 H TYR A 20 -12.487 24.016 1.324 1.00 0.00 H 302 | ATOM 300 CA TYR A 20 -12.870 23.671 3.353 1.00 0.00 C 303 | ATOM 301 HA TYR A 20 -13.746 23.428 3.773 1.00 0.00 H 304 | ATOM 302 C TYR A 20 -12.177 24.771 4.165 1.00 0.00 C 305 | ATOM 303 O TYR A 20 -11.243 25.304 3.716 1.00 0.00 O 306 | ATOM 304 CB TYR A 20 -12.022 22.382 3.333 1.00 0.00 C 307 | ATOM 305 HB2 TYR A 20 -11.269 22.258 2.685 1.00 0.00 H 308 | ATOM 306 HB3 TYR A 20 -11.243 22.282 2.713 1.00 0.00 H 309 | ATOM 307 CG TYR A 20 -11.894 21.764 4.693 1.00 0.00 C 310 | ATOM 308 CD1 TYR A 20 -12.834 20.889 5.155 1.00 0.00 C 311 | ATOM 309 HD1 TYR A 20 -13.669 20.666 4.649 1.00 0.00 H 312 | ATOM 310 CD2 TYR A 20 -10.878 22.100 5.527 1.00 0.00 C 313 | ATOM 311 HD2 TYR A 20 -10.194 22.730 5.156 1.00 0.00 H 314 | ATOM 312 CE1 TYR A 20 -12.757 20.381 6.358 1.00 0.00 C 315 | ATOM 313 HE1 TYR A 20 -13.521 19.914 6.807 1.00 0.00 H 316 | ATOM 314 CE2 TYR A 20 -10.792 21.589 6.753 1.00 0.00 C 317 | ATOM 315 HE2 TYR A 20 -10.215 21.948 7.488 1.00 0.00 H 318 | ATOM 316 CZ TYR A 20 -11.751 20.727 7.190 1.00 0.00 C 319 | ATOM 317 OH TYR A 20 -11.712 20.165 8.410 1.00 0.00 O 320 | ATOM 318 HH TYR A 20 -11.784 20.890 9.097 1.00 0.00 H 321 | ATOM 319 N ARG A 21 -12.712 25.111 5.328 1.00 0.00 N 322 | ATOM 320 H ARG A 21 -13.420 24.638 5.855 1.00 0.00 H 323 | ATOM 321 CA ARG A 21 -12.274 26.274 6.107 1.00 0.00 C 324 | ATOM 322 HA ARG A 21 -12.912 26.599 6.807 1.00 0.00 H 325 | ATOM 323 C ARG A 21 -12.251 27.553 5.263 1.00 0.00 C 326 | ATOM 324 O ARG A 21 -11.517 28.453 5.506 1.00 0.00 O 327 | ATOM 325 CB ARG A 21 -10.975 26.033 6.825 1.00 0.00 C 328 | ATOM 326 HB2 ARG A 21 -10.167 26.559 6.554 1.00 0.00 H 329 | ATOM 327 HB3 ARG A 21 -10.168 26.481 6.436 1.00 0.00 H 330 | ATOM 328 CG ARG A 21 -11.107 25.052 8.086 1.00 0.00 C 331 | ATOM 329 HG2 ARG A 21 -12.044 24.700 8.161 1.00 0.00 H 332 | ATOM 330 HG3 ARG A 21 -10.276 24.493 8.089 1.00 0.00 H 333 | ATOM 331 CD ARG A 21 -11.020 25.835 9.383 1.00 0.00 C 334 | ATOM 332 HD2 ARG A 21 -11.679 26.152 10.070 1.00 0.00 H 335 | ATOM 333 HD3 ARG A 21 -11.207 25.492 10.307 1.00 0.00 H 336 | ATOM 334 NE ARG A 21 -10.018 26.831 9.112 1.00 0.00 N 337 | ATOM 335 HE ARG A 21 -9.368 27.041 8.380 1.00 0.00 H 338 | ATOM 336 CZ ARG A 21 -9.415 27.677 9.924 1.00 0.00 C 339 | ATOM 337 NH1 ARG A 21 -9.663 27.777 11.211 1.00 0.00 N 340 | ATOM 338 HH11 ARG A 21 -9.734 28.129 12.146 1.00 0.00 H 341 | ATOM 339 HH12 ARG A 21 -9.828 28.040 12.163 1.00 0.00 H 342 | ATOM 340 NH2 ARG A 21 -8.523 28.472 9.360 1.00 0.00 N 343 | ATOM 341 HH21 ARG A 21 -8.336 28.989 8.525 1.00 0.00 H 344 | ATOM 342 HH22 ARG A 21 -8.240 28.985 10.171 1.00 0.00 H 345 | ATOM 343 N GLY A 22 -13.159 27.591 4.314 1.00 0.00 N 346 | ATOM 344 H GLY A 22 -13.999 27.075 4.485 1.00 0.00 H 347 | ATOM 345 CA GLY A 22 -13.366 28.756 3.507 1.00 0.00 C 348 | ATOM 346 HA2 GLY A 22 -13.020 29.564 3.986 1.00 0.00 H 349 | ATOM 347 HA3 GLY A 22 -14.327 28.991 3.352 1.00 0.00 H 350 | ATOM 348 C GLY A 22 -12.432 28.871 2.334 1.00 0.00 C 351 | ATOM 349 O GLY A 22 -12.442 29.864 1.708 1.00 0.00 O 352 | ATOM 350 N TYR A 23 -11.642 27.870 2.049 1.00 0.00 N 353 | ATOM 351 H TYR A 23 -11.472 27.186 2.760 1.00 0.00 H 354 | ATOM 352 CA TYR A 23 -10.699 27.964 0.951 1.00 0.00 C 355 | ATOM 353 HA TYR A 23 -10.492 28.938 0.851 1.00 0.00 H 356 | ATOM 354 C TYR A 23 -11.237 27.322 -0.327 1.00 0.00 C 357 | ATOM 355 O TYR A 23 -11.310 26.163 -0.429 1.00 0.00 O 358 | ATOM 356 CB TYR A 23 -9.319 27.399 1.373 1.00 0.00 C 359 | ATOM 357 HB2 TYR A 23 -9.049 27.183 0.430 1.00 0.00 H 360 | ATOM 358 HB3 TYR A 23 -8.964 26.690 1.988 1.00 0.00 H 361 | ATOM 359 CG TYR A 23 -8.593 28.300 2.350 1.00 0.00 C 362 | ATOM 360 CD1 TYR A 23 -7.802 29.345 1.908 1.00 0.00 C 363 | ATOM 361 HD1 TYR A 23 -7.727 29.746 0.994 1.00 0.00 H 364 | ATOM 362 CD2 TYR A 23 -8.681 28.088 3.696 1.00 0.00 C 365 | ATOM 363 HD2 TYR A 23 -9.332 27.539 4.222 1.00 0.00 H 366 | ATOM 364 CE1 TYR A 23 -7.153 30.112 2.791 1.00 0.00 C 367 | ATOM 365 HE1 TYR A 23 -6.674 30.956 2.543 1.00 0.00 H 368 | ATOM 366 CE2 TYR A 23 -8.057 28.878 4.558 1.00 0.00 C 369 | ATOM 367 HE2 TYR A 23 -8.250 29.019 5.530 1.00 0.00 H 370 | ATOM 368 CZ TYR A 23 -7.302 29.891 4.124 1.00 0.00 C 371 | ATOM 369 OH TYR A 23 -6.625 30.627 5.064 1.00 0.00 O 372 | ATOM 370 HH TYR A 23 -5.945 31.193 4.596 1.00 0.00 H 373 | ATOM 371 N SER A 24 -11.645 28.110 -1.303 1.00 0.00 N 374 | ATOM 372 H SER A 24 -11.713 29.090 -1.112 1.00 0.00 H 375 | ATOM 373 CA SER A 24 -12.149 27.553 -2.558 1.00 0.00 C 376 | ATOM 374 HA SER A 24 -13.051 27.197 -2.309 1.00 0.00 H 377 | ATOM 375 C SER A 24 -11.163 26.590 -3.226 1.00 0.00 C 378 | ATOM 376 O SER A 24 -10.030 26.616 -2.982 1.00 0.00 O 379 | ATOM 377 CB SER A 24 -12.487 28.687 -3.520 1.00 0.00 C 380 | ATOM 378 HB2 SER A 24 -13.281 29.291 -3.431 1.00 0.00 H 381 | ATOM 379 HB3 SER A 24 -13.287 29.087 -3.972 1.00 0.00 H 382 | ATOM 380 OG SER A 24 -11.380 29.433 -3.904 1.00 0.00 O 383 | ATOM 381 HG SER A 24 -11.303 30.225 -3.296 1.00 0.00 H 384 | ATOM 382 N LEU A 25 -11.699 25.725 -4.058 1.00 0.00 N 385 | ATOM 383 H LEU A 25 -12.694 25.824 -4.037 1.00 0.00 H 386 | ATOM 384 CA LEU A 25 -10.911 24.696 -4.718 1.00 0.00 C 387 | ATOM 385 HA LEU A 25 -10.547 24.192 -3.933 1.00 0.00 H 388 | ATOM 386 C LEU A 25 -9.668 25.194 -5.428 1.00 0.00 C 389 | ATOM 387 O LEU A 25 -8.666 24.560 -5.356 1.00 0.00 O 390 | ATOM 388 CB LEU A 25 -11.807 23.891 -5.685 1.00 0.00 C 391 | ATOM 389 HB2 LEU A 25 -12.619 24.431 -5.911 1.00 0.00 H 392 | ATOM 390 HB3 LEU A 25 -12.615 24.425 -5.939 1.00 0.00 H 393 | ATOM 391 CG LEU A 25 -11.275 22.578 -6.271 1.00 0.00 C 394 | ATOM 392 HG LEU A 25 -10.404 22.805 -6.709 1.00 0.00 H 395 | ATOM 393 CD1 LEU A 25 -10.882 21.598 -5.208 1.00 0.00 C 396 | ATOM 394 HD11 LEU A 25 -10.763 21.617 -4.214 1.00 0.00 H 397 | ATOM 395 HD12 LEU A 25 -10.744 21.199 -4.300 1.00 0.00 H 398 | ATOM 396 HD13 LEU A 25 -10.392 21.293 -4.390 1.00 0.00 H 399 | ATOM 397 CD2 LEU A 25 -12.316 21.945 -7.217 1.00 0.00 C 400 | ATOM 398 HD21 LEU A 25 -12.146 22.143 -8.181 1.00 0.00 H 401 | ATOM 399 HD22 LEU A 25 -13.284 22.150 -7.242 1.00 0.00 H 402 | ATOM 400 HD23 LEU A 25 -12.721 21.052 -7.022 1.00 0.00 H 403 | ATOM 401 N GLY A 26 -9.751 26.281 -6.142 1.00 0.00 N 404 | ATOM 402 H GLY A 26 -10.473 26.974 -6.099 1.00 0.00 H 405 | ATOM 403 CA GLY A 26 -8.614 26.748 -6.888 1.00 0.00 C 406 | ATOM 404 HA2 GLY A 26 -8.551 27.348 -7.687 1.00 0.00 H 407 | ATOM 405 HA3 GLY A 26 -8.723 26.916 -7.869 1.00 0.00 H 408 | ATOM 406 C GLY A 26 -7.427 27.010 -5.971 1.00 0.00 C 409 | ATOM 407 O GLY A 26 -6.368 26.882 -6.360 1.00 0.00 O 410 | ATOM 408 N ASN A 27 -7.669 27.409 -4.749 1.00 0.00 N 411 | ATOM 409 H ASN A 27 -8.504 27.886 -4.469 1.00 0.00 H 412 | ATOM 410 CA ASN A 27 -6.586 27.600 -3.798 1.00 0.00 C 413 | ATOM 411 HA ASN A 27 -5.925 28.304 -4.063 1.00 0.00 H 414 | ATOM 412 C ASN A 27 -5.816 26.305 -3.557 1.00 0.00 C 415 | ATOM 413 O ASN A 27 -4.647 26.333 -3.427 1.00 0.00 O 416 | ATOM 414 CB ASN A 27 -7.121 28.092 -2.430 1.00 0.00 C 417 | ATOM 415 HB2 ASN A 27 -7.920 28.031 -1.828 1.00 0.00 H 418 | ATOM 416 HB3 ASN A 27 -6.260 27.775 -2.027 1.00 0.00 H 419 | ATOM 417 CG ASN A 27 -7.443 29.580 -2.421 1.00 0.00 C 420 | ATOM 418 OD1 ASN A 27 -6.589 30.422 -2.397 1.00 0.00 O 421 | ATOM 419 ND2 ASN A 27 -8.701 29.865 -2.452 1.00 0.00 N 422 | ATOM 420 HD21 ASN A 27 -8.453 30.675 -1.916 1.00 0.00 H 423 | ATOM 421 HD22 ASN A 27 -9.674 29.952 -2.659 1.00 0.00 H 424 | ATOM 422 N TRP A 28 -6.518 25.201 -3.451 1.00 0.00 N 425 | ATOM 423 H TRP A 28 -7.500 25.367 -3.356 1.00 0.00 H 426 | ATOM 424 CA TRP A 28 -5.860 23.957 -3.236 1.00 0.00 C 427 | ATOM 425 HA TRP A 28 -5.203 24.119 -2.498 1.00 0.00 H 428 | ATOM 426 C TRP A 28 -5.114 23.432 -4.453 1.00 0.00 C 429 | ATOM 427 O TRP A 28 -4.118 22.837 -4.317 1.00 0.00 O 430 | ATOM 428 CB TRP A 28 -6.868 22.933 -2.746 1.00 0.00 C 431 | ATOM 429 HB2 TRP A 28 -7.223 22.634 -3.634 1.00 0.00 H 432 | ATOM 430 HB3 TRP A 28 -6.564 22.023 -2.456 1.00 0.00 H 433 | ATOM 431 CG TRP A 28 -7.517 23.300 -1.475 1.00 0.00 C 434 | ATOM 432 CD1 TRP A 28 -8.732 23.824 -1.323 1.00 0.00 C 435 | ATOM 433 HD1 TRP A 28 -9.293 24.423 -1.897 1.00 0.00 H 436 | ATOM 434 CD2 TRP A 28 -6.960 23.154 -0.146 1.00 0.00 C 437 | ATOM 435 NE1 TRP A 28 -8.985 24.087 0.016 1.00 0.00 N 438 | ATOM 436 HE1 TRP A 28 -9.738 24.454 0.565 1.00 0.00 H 439 | ATOM 437 CE2 TRP A 28 -7.918 23.643 0.756 1.00 0.00 C 440 | ATOM 438 CE3 TRP A 28 -5.749 22.687 0.342 1.00 0.00 C 441 | ATOM 439 HE3 TRP A 28 -4.969 22.484 -0.252 1.00 0.00 H 442 | ATOM 440 CZ2 TRP A 28 -7.687 23.673 2.108 1.00 0.00 C 443 | ATOM 441 HZ2 TRP A 28 -8.251 24.183 2.759 1.00 0.00 H 444 | ATOM 442 CZ3 TRP A 28 -5.528 22.723 1.653 1.00 0.00 C 445 | ATOM 443 HZ3 TRP A 28 -4.628 22.506 2.033 1.00 0.00 H 446 | ATOM 444 CH2 TRP A 28 -6.499 23.208 2.536 1.00 0.00 C 447 | ATOM 445 HH2 TRP A 28 -6.204 23.280 3.490 1.00 0.00 H 448 | ATOM 446 N VAL A 29 -5.685 23.614 -5.628 1.00 0.00 N 449 | ATOM 447 H VAL A 29 -6.416 24.297 -5.635 1.00 0.00 H 450 | ATOM 448 CA VAL A 29 -5.000 23.216 -6.834 1.00 0.00 C 451 | ATOM 449 HA VAL A 29 -4.592 22.316 -6.671 1.00 0.00 H 452 | ATOM 450 C VAL A 29 -3.745 24.065 -7.099 1.00 0.00 C 453 | ATOM 451 O VAL A 29 -2.724 23.549 -7.412 1.00 0.00 O 454 | ATOM 452 CB VAL A 29 -6.012 23.326 -8.075 1.00 0.00 C 455 | ATOM 453 HB VAL A 29 -6.254 24.292 -8.175 1.00 0.00 H 456 | ATOM 454 CG1 VAL A 29 -5.339 23.058 -9.408 1.00 0.00 C 457 | ATOM 455 HG11 VAL A 29 -4.467 22.808 -8.978 1.00 0.00 H 458 | ATOM 456 HG12 VAL A 29 -5.278 22.230 -9.972 1.00 0.00 H 459 | ATOM 457 HG13 VAL A 29 -5.651 23.920 -9.820 1.00 0.00 H 460 | ATOM 458 CG2 VAL A 29 -7.124 22.361 -7.847 1.00 0.00 C 461 | ATOM 459 HG21 VAL A 29 -7.144 21.382 -8.023 1.00 0.00 H 462 | ATOM 460 HG22 VAL A 29 -7.361 22.228 -6.892 1.00 0.00 H 463 | ATOM 461 HG23 VAL A 29 -8.109 22.412 -8.023 1.00 0.00 H 464 | ATOM 462 N CYS A 30 -3.869 25.367 -6.980 1.00 0.00 N 465 | ATOM 463 H CYS A 30 -4.731 25.874 -6.946 1.00 0.00 H 466 | ATOM 464 CA CYS A 30 -2.721 26.275 -7.022 1.00 0.00 C 467 | ATOM 465 HA CYS A 30 -2.200 26.485 -7.851 1.00 0.00 H 468 | ATOM 466 C CYS A 30 -1.647 25.832 -5.990 1.00 0.00 C 469 | ATOM 467 O CYS A 30 -0.510 25.763 -6.326 1.00 0.00 O 470 | ATOM 468 CB CYS A 30 -3.205 27.697 -6.740 1.00 0.00 C 471 | ATOM 469 HB2 CYS A 30 -3.508 28.597 -7.064 1.00 0.00 H 472 | ATOM 470 HB3 CYS A 30 -3.661 27.370 -5.910 1.00 0.00 H 473 | ATOM 471 SG CYS A 30 -1.890 28.943 -7.106 1.00 0.00 S 474 | ATOM 472 N ALA A 31 -2.050 25.599 -4.758 1.00 0.00 N 475 | ATOM 473 H ALA A 31 -2.856 26.027 -4.347 1.00 0.00 H 476 | ATOM 474 CA ALA A 31 -1.039 25.194 -3.785 1.00 0.00 C 477 | ATOM 475 HA ALA A 31 -0.373 25.939 -3.715 1.00 0.00 H 478 | ATOM 476 C ALA A 31 -0.300 23.913 -4.250 1.00 0.00 C 479 | ATOM 477 O ALA A 31 0.872 23.808 -4.148 1.00 0.00 O 480 | ATOM 478 CB ALA A 31 -1.651 24.995 -2.415 1.00 0.00 C 481 | ATOM 479 HB1 ALA A 31 -0.720 25.337 -2.234 1.00 0.00 H 482 | ATOM 480 HB2 ALA A 31 -2.299 24.490 -1.842 1.00 0.00 H 483 | ATOM 481 HB3 ALA A 31 -2.505 24.735 -1.961 1.00 0.00 H 484 | ATOM 482 N ALA A 32 -1.063 22.937 -4.704 1.00 0.00 N 485 | ATOM 483 H ALA A 32 -1.998 23.154 -4.427 1.00 0.00 H 486 | ATOM 484 CA ALA A 32 -0.463 21.705 -5.121 1.00 0.00 C 487 | ATOM 485 HA ALA A 32 0.253 21.639 -4.427 1.00 0.00 H 488 | ATOM 486 C ALA A 32 0.466 21.872 -6.300 1.00 0.00 C 489 | ATOM 487 O ALA A 32 1.451 21.185 -6.418 1.00 0.00 O 490 | ATOM 488 CB ALA A 32 -1.536 20.597 -5.395 1.00 0.00 C 491 | ATOM 489 HB1 ALA A 32 -1.482 19.694 -4.987 1.00 0.00 H 492 | ATOM 490 HB2 ALA A 32 -1.867 20.066 -6.164 1.00 0.00 H 493 | ATOM 491 HB3 ALA A 32 -2.512 20.479 -5.235 1.00 0.00 H 494 | ATOM 492 N LYS A 33 0.073 22.722 -7.219 1.00 0.00 N 495 | ATOM 493 H LYS A 33 -0.542 23.458 -6.934 1.00 0.00 H 496 | ATOM 494 CA LYS A 33 0.914 22.945 -8.365 1.00 0.00 C 497 | ATOM 495 HA LYS A 33 1.139 22.048 -8.746 1.00 0.00 H 498 | ATOM 496 C LYS A 33 2.294 23.411 -7.962 1.00 0.00 C 499 | ATOM 497 O LYS A 33 3.268 22.928 -8.425 1.00 0.00 O 500 | ATOM 498 CB LYS A 33 0.286 24.004 -9.297 1.00 0.00 C 501 | ATOM 499 HB2 LYS A 33 -0.402 24.693 -9.063 1.00 0.00 H 502 | ATOM 500 HB3 LYS A 33 -0.422 24.676 -9.076 1.00 0.00 H 503 | ATOM 501 CG LYS A 33 1.094 24.307 -10.498 1.00 0.00 C 504 | ATOM 502 HG2 LYS A 33 1.663 25.130 -10.462 1.00 0.00 H 505 | ATOM 503 HG3 LYS A 33 1.652 25.136 -10.448 1.00 0.00 H 506 | ATOM 504 CD LYS A 33 1.300 23.201 -11.504 1.00 0.00 C 507 | ATOM 505 HD2 LYS A 33 1.255 22.542 -10.750 1.00 0.00 H 508 | ATOM 506 HD3 LYS A 33 0.809 22.520 -12.051 1.00 0.00 H 509 | ATOM 507 CE LYS A 33 2.249 23.747 -12.582 1.00 0.00 C 510 | ATOM 508 HE2 LYS A 33 2.727 24.621 -12.485 1.00 0.00 H 511 | ATOM 509 HE3 LYS A 33 2.673 24.650 -12.512 1.00 0.00 H 512 | ATOM 510 NZ LYS A 33 2.618 22.902 -13.607 1.00 0.00 N 513 | ATOM 511 HZ1 LYS A 33 3.447 22.374 -13.710 1.00 0.00 H 514 | ATOM 512 HZ2 LYS A 33 2.929 23.090 -14.530 1.00 0.00 H 515 | ATOM 513 HZ3 LYS A 33 2.432 22.113 -14.183 1.00 0.00 H 516 | ATOM 514 N PHE A 34 2.336 24.387 -7.105 1.00 0.00 N 517 | ATOM 515 H PHE A 34 1.666 24.852 -6.524 1.00 0.00 H 518 | ATOM 516 CA PHE A 34 3.626 24.914 -6.755 1.00 0.00 C 519 | ATOM 517 HA PHE A 34 4.346 24.828 -7.445 1.00 0.00 H 520 | ATOM 518 C PHE A 34 4.333 24.165 -5.665 1.00 0.00 C 521 | ATOM 519 O PHE A 34 5.485 24.232 -5.618 1.00 0.00 O 522 | ATOM 520 CB PHE A 34 3.585 26.437 -6.479 1.00 0.00 C 523 | ATOM 521 HB2 PHE A 34 4.060 26.943 -5.757 1.00 0.00 H 524 | ATOM 522 HB3 PHE A 34 4.014 26.902 -5.703 1.00 0.00 H 525 | ATOM 523 CG PHE A 34 3.071 27.265 -7.657 1.00 0.00 C 526 | ATOM 524 CD1 PHE A 34 3.628 27.171 -8.890 1.00 0.00 C 527 | ATOM 525 HD1 PHE A 34 4.531 26.764 -9.035 1.00 0.00 H 528 | ATOM 526 CD2 PHE A 34 2.037 28.117 -7.502 1.00 0.00 C 529 | ATOM 527 HD2 PHE A 34 1.671 28.264 -6.582 1.00 0.00 H 530 | ATOM 528 CE1 PHE A 34 3.176 27.876 -9.902 1.00 0.00 C 531 | ATOM 529 HE1 PHE A 34 3.727 28.056 -10.718 1.00 0.00 H 532 | ATOM 530 CE2 PHE A 34 1.580 28.878 -8.548 1.00 0.00 C 533 | ATOM 531 HE2 PHE A 34 1.112 29.739 -8.344 1.00 0.00 H 534 | ATOM 532 CZ PHE A 34 2.154 28.743 -9.745 1.00 0.00 C 535 | ATOM 533 HZ PHE A 34 1.985 29.479 -10.403 1.00 0.00 H 536 | ATOM 534 N GLU A 35 3.627 23.450 -4.813 1.00 0.00 N 537 | ATOM 535 H GLU A 35 2.814 23.955 -4.520 1.00 0.00 H 538 | ATOM 536 CA GLU A 35 4.281 22.586 -3.827 1.00 0.00 C 539 | ATOM 537 HA GLU A 35 5.063 23.110 -3.487 1.00 0.00 H 540 | ATOM 538 C GLU A 35 4.976 21.367 -4.448 1.00 0.00 C 541 | ATOM 539 O GLU A 35 6.081 21.008 -4.092 1.00 0.00 O 542 | ATOM 540 CB GLU A 35 3.270 22.132 -2.746 1.00 0.00 C 543 | ATOM 541 HB2 GLU A 35 3.656 21.605 -1.989 1.00 0.00 H 544 | ATOM 542 HB3 GLU A 35 2.624 21.488 -3.156 1.00 0.00 H 545 | ATOM 543 CG GLU A 35 2.755 23.286 -1.839 1.00 0.00 C 546 | ATOM 544 HG2 GLU A 35 2.351 24.122 -1.452 1.00 0.00 H 547 | ATOM 545 HG3 GLU A 35 1.840 23.019 -2.156 1.00 0.00 H 548 | ATOM 546 CD GLU A 35 3.810 23.887 -0.898 1.00 0.00 C 549 | ATOM 547 OE1 GLU A 35 4.910 23.457 -0.911 1.00 0.00 O 550 | ATOM 548 OE2 GLU A 35 3.485 24.840 -0.224 1.00 0.00 O 551 | ATOM 549 N SER A 36 4.270 20.714 -5.343 1.00 0.00 N 552 | ATOM 550 H SER A 36 3.653 21.412 -5.704 1.00 0.00 H 553 | ATOM 551 CA SER A 36 4.709 19.393 -5.850 1.00 0.00 C 554 | ATOM 552 HA SER A 36 5.707 19.407 -5.776 1.00 0.00 H 555 | ATOM 553 C SER A 36 4.619 19.195 -7.387 1.00 0.00 C 556 | ATOM 554 O SER A 36 4.920 18.156 -7.848 1.00 0.00 O 557 | ATOM 555 CB SER A 36 3.817 18.310 -5.243 1.00 0.00 C 558 | ATOM 556 HB2 SER A 36 3.857 18.691 -4.314 1.00 0.00 H 559 | ATOM 557 HB3 SER A 36 4.142 17.386 -5.462 1.00 0.00 H 560 | ATOM 558 OG SER A 36 2.521 18.471 -5.692 1.00 0.00 O 561 | ATOM 559 HG SER A 36 2.171 19.343 -5.348 1.00 0.00 H 562 | ATOM 560 N ASN A 37 4.144 20.195 -8.113 1.00 0.00 N 563 | ATOM 561 H ASN A 37 4.515 21.102 -7.906 1.00 0.00 H 564 | ATOM 562 CA ASN A 37 3.868 20.025 -9.518 1.00 0.00 C 565 | ATOM 563 HA ASN A 37 3.560 20.922 -9.836 1.00 0.00 H 566 | ATOM 564 C ASN A 37 2.934 18.867 -9.732 1.00 0.00 C 567 | ATOM 565 O ASN A 37 3.094 18.167 -10.666 1.00 0.00 O 568 | ATOM 566 CB ASN A 37 5.195 19.822 -10.334 1.00 0.00 C 569 | ATOM 567 HB2 ASN A 37 6.125 19.704 -9.982 1.00 0.00 H 570 | ATOM 568 HB3 ASN A 37 6.136 19.778 -9.995 1.00 0.00 H 571 | ATOM 569 CG ASN A 37 5.074 20.288 -11.780 1.00 0.00 C 572 | ATOM 570 OD1 ASN A 37 4.197 20.977 -12.110 1.00 0.00 O 573 | ATOM 571 ND2 ASN A 37 5.992 19.849 -12.619 1.00 0.00 N 574 | ATOM 572 HD21 ASN A 37 6.845 19.783 -13.139 1.00 0.00 H 575 | ATOM 573 HD22 ASN A 37 6.949 19.688 -12.866 1.00 0.00 H 576 | ATOM 574 N PHE A 38 1.989 18.725 -8.841 1.00 0.00 N 577 | ATOM 575 H PHE A 38 1.913 19.397 -8.103 1.00 0.00 H 578 | ATOM 576 CA PHE A 38 0.936 17.711 -8.921 1.00 0.00 C 579 | ATOM 577 HA PHE A 38 0.410 17.756 -8.070 1.00 0.00 H 580 | ATOM 578 C PHE A 38 1.461 16.254 -8.794 1.00 0.00 C 581 | ATOM 579 O PHE A 38 0.783 15.371 -9.152 1.00 0.00 O 582 | ATOM 580 CB PHE A 38 0.125 17.831 -10.236 1.00 0.00 C 583 | ATOM 581 HB2 PHE A 38 -0.392 17.365 -10.954 1.00 0.00 H 584 | ATOM 582 HB3 PHE A 38 0.786 17.262 -10.726 1.00 0.00 H 585 | ATOM 583 CG PHE A 38 -0.591 19.146 -10.450 1.00 0.00 C 586 | ATOM 584 CD1 PHE A 38 -1.117 19.830 -9.419 1.00 0.00 C 587 | ATOM 585 HD1 PHE A 38 -0.657 19.749 -8.533 1.00 0.00 H 588 | ATOM 586 CD2 PHE A 38 -0.818 19.625 -11.728 1.00 0.00 C 589 | ATOM 587 HD2 PHE A 38 -0.268 19.369 -12.525 1.00 0.00 H 590 | ATOM 588 CE1 PHE A 38 -1.794 20.938 -9.623 1.00 0.00 C 591 | ATOM 589 HE1 PHE A 38 -2.119 21.528 -8.882 1.00 0.00 H 592 | ATOM 590 CE2 PHE A 38 -1.529 20.780 -11.926 1.00 0.00 C 593 | ATOM 591 HE2 PHE A 38 -1.541 21.164 -12.851 1.00 0.00 H 594 | ATOM 592 CZ PHE A 38 -1.997 21.433 -10.882 1.00 0.00 C 595 | ATOM 593 HZ PHE A 38 -2.084 22.419 -11.032 1.00 0.00 H 596 | ATOM 594 N ASN A 39 2.659 16.098 -8.251 1.00 0.00 N 597 | ATOM 595 H ASN A 39 3.119 16.782 -7.684 1.00 0.00 H 598 | ATOM 596 CA ASN A 39 3.325 14.823 -8.138 1.00 0.00 C 599 | ATOM 597 HA ASN A 39 3.066 14.268 -8.930 1.00 0.00 H 600 | ATOM 598 C ASN A 39 3.229 14.246 -6.700 1.00 0.00 C 601 | ATOM 599 O ASN A 39 3.755 14.798 -5.773 1.00 0.00 O 602 | ATOM 600 CB ASN A 39 4.797 14.951 -8.610 1.00 0.00 C 603 | ATOM 601 HB2 ASN A 39 5.402 15.742 -8.711 1.00 0.00 H 604 | ATOM 602 HB3 ASN A 39 5.397 15.752 -8.646 1.00 0.00 H 605 | ATOM 603 CG ASN A 39 5.590 13.625 -8.574 1.00 0.00 C 606 | ATOM 604 OD1 ASN A 39 5.127 12.606 -8.201 1.00 0.00 O 607 | ATOM 605 ND2 ASN A 39 6.815 13.715 -8.995 1.00 0.00 N 608 | ATOM 606 HD21 ASN A 39 7.443 13.025 -8.631 1.00 0.00 H 609 | ATOM 607 HD22 ASN A 39 7.184 14.493 -9.508 1.00 0.00 H 610 | ATOM 608 N THR A 40 2.529 13.124 -6.582 1.00 0.00 N 611 | ATOM 609 H THR A 40 2.507 12.553 -7.404 1.00 0.00 H 612 | ATOM 610 CA THR A 40 2.303 12.540 -5.273 1.00 0.00 C 613 | ATOM 611 HA THR A 40 2.042 13.266 -4.634 1.00 0.00 H 614 | ATOM 612 C THR A 40 3.612 12.075 -4.649 1.00 0.00 C 615 | ATOM 613 O THR A 40 3.694 11.966 -3.468 1.00 0.00 O 616 | ATOM 614 CB THR A 40 1.283 11.382 -5.217 1.00 0.00 C 617 | ATOM 615 HB THR A 40 1.276 11.108 -4.253 1.00 0.00 H 618 | ATOM 616 OG1 THR A 40 1.759 10.248 -5.900 1.00 0.00 O 619 | ATOM 617 HG1 THR A 40 2.695 10.063 -5.596 1.00 0.00 H 620 | ATOM 618 CG2 THR A 40 -0.056 11.786 -5.758 1.00 0.00 C 621 | ATOM 619 HG21 THR A 40 0.459 12.017 -6.594 1.00 0.00 H 622 | ATOM 620 HG22 THR A 40 -0.412 11.489 -4.859 1.00 0.00 H 623 | ATOM 621 HG23 THR A 40 -0.976 12.055 -6.048 1.00 0.00 H 624 | ATOM 622 N GLN A 41 4.625 11.812 -5.452 1.00 0.00 N 625 | ATOM 623 H GLN A 41 4.907 12.334 -6.258 1.00 0.00 H 626 | ATOM 624 CA GLN A 41 5.868 11.277 -4.877 1.00 0.00 C 627 | ATOM 625 HA GLN A 41 5.791 10.830 -3.985 1.00 0.00 H 628 | ATOM 626 C GLN A 41 6.920 12.378 -4.554 1.00 0.00 C 629 | ATOM 627 O GLN A 41 7.996 12.078 -4.152 1.00 0.00 O 630 | ATOM 628 CB GLN A 41 6.526 10.227 -5.796 1.00 0.00 C 631 | ATOM 629 HB2 GLN A 41 7.519 10.187 -5.916 1.00 0.00 H 632 | ATOM 630 HB3 GLN A 41 7.510 10.211 -5.980 1.00 0.00 H 633 | ATOM 631 CG GLN A 41 5.656 9.084 -6.191 1.00 0.00 C 634 | ATOM 632 HG2 GLN A 41 5.352 8.554 -5.396 1.00 0.00 H 635 | ATOM 633 HG3 GLN A 41 4.748 9.390 -6.486 1.00 0.00 H 636 | ATOM 634 CD GLN A 41 6.453 7.993 -6.823 1.00 0.00 C 637 | ATOM 635 OE1 GLN A 41 7.233 7.399 -6.162 1.00 0.00 O 638 | ATOM 636 NE2 GLN A 41 6.267 7.752 -8.089 1.00 0.00 N 639 | ATOM 637 HE21 GLN A 41 6.375 7.521 -9.057 1.00 0.00 H 640 | ATOM 638 HE22 GLN A 41 6.424 7.516 -9.049 1.00 0.00 H 641 | ATOM 639 N ALA A 42 6.541 13.617 -4.695 1.00 0.00 N 642 | ATOM 640 H ALA A 42 5.649 14.071 -4.701 1.00 0.00 H 643 | ATOM 641 CA ALA A 42 7.393 14.701 -4.296 1.00 0.00 C 644 | ATOM 642 HA ALA A 42 8.159 14.699 -4.940 1.00 0.00 H 645 | ATOM 643 C ALA A 42 7.873 14.642 -2.844 1.00 0.00 C 646 | ATOM 644 O ALA A 42 7.079 14.484 -1.953 1.00 0.00 O 647 | ATOM 645 CB ALA A 42 6.673 16.026 -4.545 1.00 0.00 C 648 | ATOM 646 HB1 ALA A 42 6.938 16.976 -4.370 1.00 0.00 H 649 | ATOM 647 HB2 ALA A 42 6.891 16.998 -4.447 1.00 0.00 H 650 | ATOM 648 HB3 ALA A 42 6.455 16.984 -4.742 1.00 0.00 H 651 | ATOM 649 N THR A 43 9.159 14.879 -2.689 1.00 0.00 N 652 | ATOM 650 H THR A 43 9.774 15.114 -3.444 1.00 0.00 H 653 | ATOM 651 CA THR A 43 9.732 15.008 -1.370 1.00 0.00 C 654 | ATOM 652 HA THR A 43 9.024 15.353 -0.751 1.00 0.00 H 655 | ATOM 653 C THR A 43 10.771 16.111 -1.354 1.00 0.00 C 656 | ATOM 654 O THR A 43 11.376 16.371 -2.356 1.00 0.00 O 657 | ATOM 655 CB THR A 43 10.435 13.734 -0.851 1.00 0.00 C 658 | ATOM 656 HB THR A 43 10.940 13.903 -0.003 1.00 0.00 H 659 | ATOM 657 OG1 THR A 43 11.572 13.412 -1.656 1.00 0.00 O 660 | ATOM 658 HG1 THR A 43 12.102 14.248 -1.807 1.00 0.00 H 661 | ATOM 659 CG2 THR A 43 9.522 12.568 -0.648 1.00 0.00 C 662 | ATOM 660 HG21 THR A 43 9.860 11.660 -0.434 1.00 0.00 H 663 | ATOM 661 HG22 THR A 43 8.917 12.234 -1.375 1.00 0.00 H 664 | ATOM 662 HG23 THR A 43 9.245 12.587 0.315 1.00 0.00 H 665 | ATOM 663 N ASN A 44 10.924 16.766 -0.212 1.00 0.00 N 666 | ATOM 664 H ASN A 44 10.381 16.761 0.629 1.00 0.00 H 667 | ATOM 665 CA ASN A 44 11.909 17.826 -0.100 1.00 0.00 C 668 | ATOM 666 HA ASN A 44 12.722 17.620 -0.647 1.00 0.00 H 669 | ATOM 667 C ASN A 44 12.407 17.942 1.351 1.00 0.00 C 670 | ATOM 668 O ASN A 44 11.684 17.795 2.226 1.00 0.00 O 671 | ATOM 669 CB ASN A 44 11.399 19.207 -0.578 1.00 0.00 C 672 | ATOM 670 HB2 ASN A 44 10.640 19.806 -0.318 1.00 0.00 H 673 | ATOM 671 HB3 ASN A 44 12.182 19.723 -0.229 1.00 0.00 H 674 | ATOM 672 CG ASN A 44 11.235 19.305 -2.101 1.00 0.00 C 675 | ATOM 673 OD1 ASN A 44 12.197 19.328 -2.863 1.00 0.00 O 676 | ATOM 674 ND2 ASN A 44 10.002 19.334 -2.521 1.00 0.00 N 677 | ATOM 675 HD21 ASN A 44 9.852 19.302 -3.513 1.00 0.00 H 678 | ATOM 676 HD22 ASN A 44 9.403 19.788 -1.856 1.00 0.00 H 679 | ATOM 677 N ARG A 45 13.698 18.187 1.508 1.00 0.00 N 680 | ATOM 678 H ARG A 45 14.242 18.646 0.804 1.00 0.00 H 681 | ATOM 679 CA ARG A 45 14.282 18.228 2.807 1.00 0.00 C 682 | ATOM 680 HA ARG A 45 13.824 17.727 3.543 1.00 0.00 H 683 | ATOM 681 C ARG A 45 14.361 19.671 3.279 1.00 0.00 C 684 | ATOM 682 O ARG A 45 14.783 20.503 2.528 1.00 0.00 O 685 | ATOM 683 CB ARG A 45 15.635 17.577 2.711 1.00 0.00 C 686 | ATOM 684 HB2 ARG A 45 15.527 16.656 2.336 1.00 0.00 H 687 | ATOM 685 HB3 ARG A 45 16.270 18.096 2.139 1.00 0.00 H 688 | ATOM 686 CG ARG A 45 16.548 17.624 3.854 1.00 0.00 C 689 | ATOM 687 HG2 ARG A 45 17.354 18.217 3.831 1.00 0.00 H 690 | ATOM 688 HG3 ARG A 45 17.279 18.307 3.895 1.00 0.00 H 691 | ATOM 689 CD ARG A 45 16.249 16.656 4.891 1.00 0.00 C 692 | ATOM 690 HD2 ARG A 45 16.762 16.846 5.730 1.00 0.00 H 693 | ATOM 691 HD3 ARG A 45 16.840 16.825 5.681 1.00 0.00 H 694 | ATOM 692 NE ARG A 45 15.419 15.507 4.583 1.00 0.00 N 695 | ATOM 693 HE ARG A 45 14.965 15.400 5.469 1.00 0.00 H 696 | ATOM 694 CZ ARG A 45 15.863 14.350 4.106 1.00 0.00 C 697 | ATOM 695 NH1 ARG A 45 17.132 14.184 3.793 1.00 0.00 N 698 | ATOM 696 HH11 ARG A 45 17.975 14.256 4.332 1.00 0.00 H 699 | ATOM 697 HH12 ARG A 45 17.740 13.922 3.039 1.00 0.00 H 700 | ATOM 698 NH2 ARG A 45 15.024 13.355 3.912 1.00 0.00 N 701 | ATOM 699 HH21 ARG A 45 14.320 12.969 4.512 1.00 0.00 H 702 | ATOM 700 HH22 ARG A 45 15.193 12.831 3.074 1.00 0.00 H 703 | ATOM 701 N ASN A 46 13.939 19.909 4.516 1.00 0.00 N 704 | ATOM 702 H ASN A 46 13.805 19.287 5.289 1.00 0.00 H 705 | ATOM 703 CA ASN A 46 14.047 21.221 5.132 1.00 0.00 C 706 | ATOM 704 HA ASN A 46 14.031 21.994 4.495 1.00 0.00 H 707 | ATOM 705 C ASN A 46 15.408 21.335 5.851 1.00 0.00 C 708 | ATOM 706 O ASN A 46 16.008 20.361 6.188 1.00 0.00 O 709 | ATOM 707 CB ASN A 46 12.917 21.416 6.150 1.00 0.00 C 710 | ATOM 708 HB2 ASN A 46 13.021 21.779 7.077 1.00 0.00 H 711 | ATOM 709 HB3 ASN A 46 12.916 21.866 7.044 1.00 0.00 H 712 | ATOM 710 CG ASN A 46 11.546 21.164 5.561 1.00 0.00 C 713 | ATOM 711 OD1 ASN A 46 10.697 20.570 6.197 1.00 0.00 O 714 | ATOM 712 ND2 ASN A 46 11.340 21.638 4.379 1.00 0.00 N 715 | ATOM 713 HD21 ASN A 46 11.188 22.455 3.821 1.00 0.00 H 716 | ATOM 714 HD22 ASN A 46 11.302 22.404 3.736 1.00 0.00 H 717 | ATOM 715 N THR A 47 15.824 22.558 6.119 1.00 0.00 N 718 | ATOM 716 H THR A 47 15.319 23.410 5.980 1.00 0.00 H 719 | ATOM 717 CA THR A 47 17.128 22.799 6.717 1.00 0.00 C 720 | ATOM 718 HA THR A 47 17.883 22.497 6.132 1.00 0.00 H 721 | ATOM 719 C THR A 47 17.279 22.113 8.037 1.00 0.00 C 722 | ATOM 720 O THR A 47 18.339 21.658 8.337 1.00 0.00 O 723 | ATOM 721 CB THR A 47 17.392 24.335 6.927 1.00 0.00 C 724 | ATOM 722 HB THR A 47 18.345 24.529 7.164 1.00 0.00 H 725 | ATOM 723 OG1 THR A 47 16.560 24.786 7.972 1.00 0.00 O 726 | ATOM 724 HG1 THR A 47 17.135 25.187 8.687 1.00 0.00 H 727 | ATOM 725 CG2 THR A 47 17.156 25.099 5.739 1.00 0.00 C 728 | ATOM 726 HG21 THR A 47 16.167 25.179 5.629 1.00 0.00 H 729 | ATOM 727 HG22 THR A 47 18.131 25.309 5.652 1.00 0.00 H 730 | ATOM 728 HG23 THR A 47 17.532 25.827 5.164 1.00 0.00 H 731 | ATOM 729 N ALA A 48 16.218 22.044 8.842 1.00 0.00 N 732 | ATOM 730 H ALA A 48 15.519 22.760 8.878 1.00 0.00 H 733 | ATOM 731 CA ALA A 48 16.381 21.426 10.152 1.00 0.00 C 734 | ATOM 732 HA ALA A 48 17.282 21.629 10.538 1.00 0.00 H 735 | ATOM 733 C ALA A 48 16.339 19.930 10.216 1.00 0.00 C 736 | ATOM 734 O ALA A 48 16.522 19.349 11.234 1.00 0.00 O 737 | ATOM 735 CB ALA A 48 15.533 22.069 11.208 1.00 0.00 C 738 | ATOM 736 HB1 ALA A 48 15.687 22.967 11.625 1.00 0.00 H 739 | ATOM 737 HB2 ALA A 48 15.756 22.858 11.786 1.00 0.00 H 740 | ATOM 738 HB3 ALA A 48 14.813 21.548 11.678 1.00 0.00 H 741 | ATOM 739 N GLY A 49 16.082 19.283 9.103 1.00 0.00 N 742 | ATOM 740 H GLY A 49 16.131 19.807 8.252 1.00 0.00 H 743 | ATOM 741 CA GLY A 49 16.152 17.835 9.051 1.00 0.00 C 744 | ATOM 742 HA2 GLY A 49 17.053 17.435 9.227 1.00 0.00 H 745 | ATOM 743 HA3 GLY A 49 17.111 17.555 9.123 1.00 0.00 H 746 | ATOM 744 C GLY A 49 14.814 17.152 8.876 1.00 0.00 C 747 | ATOM 745 O GLY A 49 14.752 15.981 8.622 1.00 0.00 O 748 | ATOM 746 N SER A 50 13.758 17.920 9.051 1.00 0.00 N 749 | ATOM 747 H SER A 50 13.958 18.629 9.729 1.00 0.00 H 750 | ATOM 748 CA SER A 50 12.432 17.490 8.633 1.00 0.00 C 751 | ATOM 749 HA SER A 50 12.413 16.615 9.119 1.00 0.00 H 752 | ATOM 750 C SER A 50 12.319 17.321 7.122 1.00 0.00 C 753 | ATOM 751 O SER A 50 13.154 17.757 6.434 1.00 0.00 O 754 | ATOM 752 CB SER A 50 11.378 18.448 9.158 1.00 0.00 C 755 | ATOM 753 HB2 SER A 50 10.653 18.175 9.794 1.00 0.00 H 756 | ATOM 754 HB3 SER A 50 11.050 18.672 10.078 1.00 0.00 H 757 | ATOM 755 OG SER A 50 11.712 19.749 8.809 1.00 0.00 O 758 | ATOM 756 HG SER A 50 12.222 20.161 9.566 1.00 0.00 H 759 | ATOM 757 N THR A 51 11.296 16.626 6.665 1.00 0.00 N 760 | ATOM 758 H THR A 51 10.568 16.563 7.349 1.00 0.00 H 761 | ATOM 759 CA THR A 51 11.059 16.458 5.246 1.00 0.00 C 762 | ATOM 760 HA THR A 51 11.621 17.163 4.812 1.00 0.00 H 763 | ATOM 761 C THR A 51 9.564 16.729 4.948 1.00 0.00 C 764 | ATOM 762 O THR A 51 8.737 16.522 5.743 1.00 0.00 O 765 | ATOM 763 CB THR A 51 11.431 15.020 4.826 1.00 0.00 C 766 | ATOM 764 HB THR A 51 11.049 14.436 5.544 1.00 0.00 H 767 | ATOM 765 OG1 THR A 51 12.784 14.773 5.183 1.00 0.00 O 768 | ATOM 766 HG1 THR A 51 13.199 15.636 5.475 1.00 0.00 H 769 | ATOM 767 CG2 THR A 51 11.268 14.738 3.363 1.00 0.00 C 770 | ATOM 768 HG21 THR A 51 11.406 13.741 3.456 1.00 0.00 H 771 | ATOM 769 HG22 THR A 51 11.561 15.004 2.436 1.00 0.00 H 772 | ATOM 770 HG23 THR A 51 10.917 15.643 3.112 1.00 0.00 H 773 | ATOM 771 N ASP A 52 9.311 17.215 3.756 1.00 0.00 N 774 | ATOM 772 H ASP A 52 10.023 17.782 3.338 1.00 0.00 H 775 | ATOM 773 CA ASP A 52 7.957 17.489 3.302 1.00 0.00 C 776 | ATOM 774 HA ASP A 52 7.406 17.639 4.125 1.00 0.00 H 777 | ATOM 775 C ASP A 52 7.546 16.482 2.238 1.00 0.00 C 778 | ATOM 776 O ASP A 52 8.325 16.116 1.451 1.00 0.00 O 779 | ATOM 777 CB ASP A 52 7.909 18.863 2.689 1.00 0.00 C 780 | ATOM 778 HB2 ASP A 52 8.315 18.645 1.799 1.00 0.00 H 781 | ATOM 779 HB3 ASP A 52 7.173 19.542 2.741 1.00 0.00 H 782 | ATOM 780 CG ASP A 52 8.616 19.894 3.542 1.00 0.00 C 783 | ATOM 781 OD1 ASP A 52 8.126 20.195 4.628 1.00 0.00 O 784 | ATOM 782 OD2 ASP A 52 9.647 20.361 3.062 1.00 0.00 O 785 | ATOM 783 N TYR A 53 6.338 16.001 2.346 1.00 0.00 N 786 | ATOM 784 H TYR A 53 5.740 16.511 2.966 1.00 0.00 H 787 | ATOM 785 CA TYR A 53 5.912 14.812 1.600 1.00 0.00 C 788 | ATOM 786 HA TYR A 53 6.725 14.541 1.082 1.00 0.00 H 789 | ATOM 787 C TYR A 53 4.625 15.029 0.825 1.00 0.00 C 790 | ATOM 788 O TYR A 53 3.686 15.509 1.345 1.00 0.00 O 791 | ATOM 789 CB TYR A 53 5.660 13.640 2.573 1.00 0.00 C 792 | ATOM 790 HB2 TYR A 53 4.917 13.384 3.193 1.00 0.00 H 793 | ATOM 791 HB3 TYR A 53 4.948 13.208 3.128 1.00 0.00 H 794 | ATOM 792 CG TYR A 53 6.855 13.171 3.300 1.00 0.00 C 795 | ATOM 793 CD1 TYR A 53 7.568 12.102 2.836 1.00 0.00 C 796 | ATOM 794 HD1 TYR A 53 7.239 11.454 2.148 1.00 0.00 H 797 | ATOM 795 CD2 TYR A 53 7.282 13.785 4.420 1.00 0.00 C 798 | ATOM 796 HD2 TYR A 53 6.910 14.584 4.896 1.00 0.00 H 799 | ATOM 797 CE1 TYR A 53 8.664 11.649 3.495 1.00 0.00 C 800 | ATOM 798 HE1 TYR A 53 9.294 10.941 3.172 1.00 0.00 H 801 | ATOM 799 CE2 TYR A 53 8.416 13.337 5.107 1.00 0.00 C 802 | ATOM 800 HE2 TYR A 53 8.646 13.774 5.978 1.00 0.00 H 803 | ATOM 801 CZ TYR A 53 9.103 12.263 4.635 1.00 0.00 C 804 | ATOM 802 OH TYR A 53 10.226 11.782 5.259 1.00 0.00 O 805 | ATOM 803 HH TYR A 53 10.616 12.513 5.821 1.00 0.00 H 806 | ATOM 804 N GLY A 54 4.685 14.640 -0.438 1.00 0.00 N 807 | ATOM 805 H GLY A 54 5.565 14.581 -0.912 1.00 0.00 H 808 | ATOM 806 CA GLY A 54 3.482 14.469 -1.210 1.00 0.00 C 809 | ATOM 807 HA2 GLY A 54 3.829 13.537 -1.324 1.00 0.00 H 810 | ATOM 808 HA3 GLY A 54 2.549 14.507 -0.847 1.00 0.00 H 811 | ATOM 809 C GLY A 54 2.980 15.690 -1.951 1.00 0.00 C 812 | ATOM 810 O GLY A 54 3.645 16.651 -2.027 1.00 0.00 O 813 | ATOM 811 N ILE A 55 1.782 15.559 -2.497 1.00 0.00 N 814 | ATOM 812 H ILE A 55 1.242 14.841 -2.056 1.00 0.00 H 815 | ATOM 813 CA ILE A 55 1.207 16.566 -3.366 1.00 0.00 C 816 | ATOM 814 HA ILE A 55 1.961 16.635 -4.021 1.00 0.00 H 817 | ATOM 815 C ILE A 55 1.047 17.932 -2.662 1.00 0.00 C 818 | ATOM 816 O ILE A 55 1.069 18.913 -3.305 1.00 0.00 O 819 | ATOM 817 CB ILE A 55 -0.135 16.087 -3.956 1.00 0.00 C 820 | ATOM 818 HB ILE A 55 -0.015 15.094 -4.002 1.00 0.00 H 821 | ATOM 819 CG1 ILE A 55 -0.388 16.593 -5.384 1.00 0.00 C 822 | ATOM 820 HG12 ILE A 55 0.295 17.122 -5.895 1.00 0.00 H 823 | ATOM 821 HG13 ILE A 55 -0.325 17.579 -5.213 1.00 0.00 H 824 | ATOM 822 CG2 ILE A 55 -1.235 16.047 -2.892 1.00 0.00 C 825 | ATOM 823 HG21 ILE A 55 -1.061 15.511 -2.061 1.00 0.00 H 826 | ATOM 824 HG22 ILE A 55 -1.995 16.259 -3.522 1.00 0.00 H 827 | ATOM 825 HG23 ILE A 55 -0.964 16.192 -1.936 1.00 0.00 H 828 | ATOM 826 CD1 ILE A 55 -1.165 15.737 -6.217 1.00 0.00 C 829 | ATOM 827 HD11 ILE A 55 -2.046 16.162 -6.411 1.00 0.00 H 830 | ATOM 828 HD12 ILE A 55 -1.271 15.581 -7.200 1.00 0.00 H 831 | ATOM 829 HD13 ILE A 55 -0.969 14.806 -5.889 1.00 0.00 H 832 | ATOM 830 N LEU A 56 0.965 17.933 -1.359 1.00 0.00 N 833 | ATOM 831 H LEU A 56 0.947 17.217 -0.659 1.00 0.00 H 834 | ATOM 832 CA LEU A 56 0.804 19.176 -0.601 1.00 0.00 C 835 | ATOM 833 HA LEU A 56 1.014 20.017 -1.102 1.00 0.00 H 836 | ATOM 834 C LEU A 56 1.942 19.358 0.424 1.00 0.00 C 837 | ATOM 835 O LEU A 56 1.827 20.186 1.329 1.00 0.00 O 838 | ATOM 836 CB LEU A 56 -0.560 19.231 0.116 1.00 0.00 C 839 | ATOM 837 HB2 LEU A 56 -0.651 19.276 1.112 1.00 0.00 H 840 | ATOM 838 HB3 LEU A 56 -0.625 19.268 1.114 1.00 0.00 H 841 | ATOM 839 CG LEU A 56 -1.770 19.444 -0.790 1.00 0.00 C 842 | ATOM 840 HG LEU A 56 -1.693 18.840 -1.585 1.00 0.00 H 843 | ATOM 841 CD1 LEU A 56 -3.061 19.273 -0.071 1.00 0.00 C 844 | ATOM 842 HD11 LEU A 56 -3.058 18.269 0.034 1.00 0.00 H 845 | ATOM 843 HD12 LEU A 56 -3.662 19.650 -0.788 1.00 0.00 H 846 | ATOM 844 HD13 LEU A 56 -2.964 19.823 0.763 1.00 0.00 H 847 | ATOM 845 CD2 LEU A 56 -1.653 20.861 -1.282 1.00 0.00 C 848 | ATOM 846 HD21 LEU A 56 -1.383 21.822 -1.200 1.00 0.00 H 849 | ATOM 847 HD22 LEU A 56 -1.375 21.823 -1.279 1.00 0.00 H 850 | ATOM 848 HD23 LEU A 56 -1.275 21.707 -1.663 1.00 0.00 H 851 | ATOM 849 N GLN A 57 3.035 18.644 0.224 1.00 0.00 N 852 | ATOM 850 H GLN A 57 3.249 18.105 -0.592 1.00 0.00 H 853 | ATOM 851 CA GLN A 57 4.276 18.942 0.904 1.00 0.00 C 854 | ATOM 852 HA GLN A 57 5.023 18.276 0.865 1.00 0.00 H 855 | ATOM 853 C GLN A 57 4.121 19.095 2.387 1.00 0.00 C 856 | ATOM 854 O GLN A 57 4.466 20.070 2.942 1.00 0.00 O 857 | ATOM 855 CB GLN A 57 4.909 20.179 0.304 1.00 0.00 C 858 | ATOM 856 HB2 GLN A 57 4.816 21.159 0.495 1.00 0.00 H 859 | ATOM 857 HB3 GLN A 57 5.401 20.794 0.924 1.00 0.00 H 860 | ATOM 858 CG GLN A 57 5.552 19.859 -1.035 1.00 0.00 C 861 | ATOM 859 HG2 GLN A 57 5.412 20.298 -1.924 1.00 0.00 H 862 | ATOM 860 HG3 GLN A 57 5.759 20.588 -1.690 1.00 0.00 H 863 | ATOM 861 CD GLN A 57 6.721 18.821 -0.959 1.00 0.00 C 864 | ATOM 862 OE1 GLN A 57 7.822 19.174 -0.641 1.00 0.00 O 865 | ATOM 863 NE2 GLN A 57 6.440 17.599 -1.338 1.00 0.00 N 866 | ATOM 864 HE21 GLN A 57 6.540 16.606 -1.262 1.00 0.00 H 867 | ATOM 865 HE22 GLN A 57 6.524 16.608 -1.452 1.00 0.00 H 868 | ATOM 866 N ILE A 58 3.627 18.055 2.994 1.00 0.00 N 869 | ATOM 867 H ILE A 58 3.648 17.159 2.548 1.00 0.00 H 870 | ATOM 868 CA ILE A 58 3.270 18.064 4.360 1.00 0.00 C 871 | ATOM 869 HA ILE A 58 3.045 19.008 4.607 1.00 0.00 H 872 | ATOM 870 C ILE A 58 4.521 17.707 5.218 1.00 0.00 C 873 | ATOM 871 O ILE A 58 5.222 16.750 4.919 1.00 0.00 O 874 | ATOM 872 CB ILE A 58 2.142 17.072 4.580 1.00 0.00 C 875 | ATOM 873 HB ILE A 58 2.370 16.256 4.047 1.00 0.00 H 876 | ATOM 874 CG1 ILE A 58 0.874 17.650 4.001 1.00 0.00 C 877 | ATOM 875 HG12 ILE A 58 1.518 18.236 3.506 1.00 0.00 H 878 | ATOM 876 HG13 ILE A 58 0.191 18.379 3.925 1.00 0.00 H 879 | ATOM 877 CG2 ILE A 58 1.951 16.699 6.118 1.00 0.00 C 880 | ATOM 878 HG21 ILE A 58 2.928 16.599 5.915 1.00 0.00 H 881 | ATOM 879 HG22 ILE A 58 1.590 16.926 7.021 1.00 0.00 H 882 | ATOM 880 HG23 ILE A 58 1.353 16.758 6.915 1.00 0.00 H 883 | ATOM 881 CD1 ILE A 58 -0.302 16.697 4.097 1.00 0.00 C 884 | ATOM 882 HD11 ILE A 58 -0.974 16.704 4.822 1.00 0.00 H 885 | ATOM 883 HD12 ILE A 58 -0.110 15.857 4.606 1.00 0.00 H 886 | ATOM 884 HD13 ILE A 58 -0.934 16.613 3.323 1.00 0.00 H 887 | ATOM 885 N ASN A 59 4.789 18.524 6.240 1.00 0.00 N 888 | ATOM 886 H ASN A 59 4.235 19.324 6.476 1.00 0.00 H 889 | ATOM 887 CA ASN A 59 6.061 18.543 6.979 1.00 0.00 C 890 | ATOM 888 HA ASN A 59 6.794 18.535 6.297 1.00 0.00 H 891 | ATOM 889 C ASN A 59 6.099 17.556 8.167 1.00 0.00 C 892 | ATOM 890 O ASN A 59 5.329 17.628 9.054 1.00 0.00 O 893 | ATOM 891 CB ASN A 59 6.296 19.985 7.495 1.00 0.00 C 894 | ATOM 892 HB2 ASN A 59 5.685 20.708 7.824 1.00 0.00 H 895 | ATOM 893 HB3 ASN A 59 5.994 20.871 7.136 1.00 0.00 H 896 | ATOM 894 CG ASN A 59 7.676 20.215 8.095 1.00 0.00 C 897 | ATOM 895 OD1 ASN A 59 8.417 19.333 8.362 1.00 0.00 O 898 | ATOM 896 ND2 ASN A 59 7.968 21.468 8.297 1.00 0.00 N 899 | ATOM 897 HD21 ASN A 59 8.327 22.376 8.520 1.00 0.00 H 900 | ATOM 898 HD22 ASN A 59 8.343 22.367 8.527 1.00 0.00 H 901 | ATOM 899 N SER A 60 7.060 16.661 8.134 1.00 0.00 N 902 | ATOM 900 H SER A 60 7.813 16.758 7.482 1.00 0.00 H 903 | ATOM 901 CA SER A 60 7.312 15.697 9.200 1.00 0.00 C 904 | ATOM 902 HA SER A 60 6.451 15.209 9.353 1.00 0.00 H 905 | ATOM 903 C SER A 60 7.644 16.363 10.554 1.00 0.00 C 906 | ATOM 904 O SER A 60 7.527 15.722 11.538 1.00 0.00 O 907 | ATOM 905 CB SER A 60 8.470 14.761 8.823 1.00 0.00 C 908 | ATOM 906 HB2 SER A 60 8.537 13.841 9.214 1.00 0.00 H 909 | ATOM 907 HB3 SER A 60 8.333 13.787 8.632 1.00 0.00 H 910 | ATOM 908 OG SER A 60 9.681 15.456 8.782 1.00 0.00 O 911 | ATOM 909 HG SER A 60 9.836 15.877 9.676 1.00 0.00 H 912 | ATOM 910 N ARG A 61 7.998 17.630 10.562 1.00 0.00 N 913 | ATOM 911 H ARG A 61 8.263 18.124 9.733 1.00 0.00 H 914 | ATOM 912 CA ARG A 61 8.135 18.295 11.832 1.00 0.00 C 915 | ATOM 913 HA ARG A 61 8.920 17.870 12.284 1.00 0.00 H 916 | ATOM 914 C ARG A 61 6.882 18.246 12.703 1.00 0.00 C 917 | ATOM 915 O ARG A 61 6.964 18.247 13.910 1.00 0.00 O 918 | ATOM 916 CB ARG A 61 8.610 19.742 11.645 1.00 0.00 C 919 | ATOM 917 HB2 ARG A 61 9.203 20.336 11.099 1.00 0.00 H 920 | ATOM 918 HB3 ARG A 61 8.975 20.295 10.895 1.00 0.00 H 921 | ATOM 919 CG ARG A 61 8.572 20.586 12.933 1.00 0.00 C 922 | ATOM 920 HG2 ARG A 61 9.202 21.341 13.119 1.00 0.00 H 923 | ATOM 921 HG3 ARG A 61 7.623 20.897 12.873 1.00 0.00 H 924 | ATOM 922 CD ARG A 61 9.508 20.087 13.963 1.00 0.00 C 925 | ATOM 923 HD2 ARG A 61 10.359 19.566 14.041 1.00 0.00 H 926 | ATOM 924 HD3 ARG A 61 10.320 19.510 14.065 1.00 0.00 H 927 | ATOM 925 NE ARG A 61 9.617 20.959 15.123 1.00 0.00 N 928 | ATOM 926 HE ARG A 61 10.411 21.550 15.276 1.00 0.00 H 929 | ATOM 927 CZ ARG A 61 8.749 20.977 16.128 1.00 0.00 C 930 | ATOM 928 NH1 ARG A 61 7.701 20.163 16.148 1.00 0.00 N 931 | ATOM 929 HH11 ARG A 61 7.609 19.303 15.643 1.00 0.00 H 932 | ATOM 930 HH12 ARG A 61 7.209 20.392 16.991 1.00 0.00 H 933 | ATOM 931 NH2 ARG A 61 8.943 21.804 17.148 1.00 0.00 N 934 | ATOM 932 HH21 ARG A 61 9.121 22.422 17.915 1.00 0.00 H 935 | ATOM 933 HH22 ARG A 61 9.262 22.429 17.862 1.00 0.00 H 936 | ATOM 934 N TRP A 62 5.733 18.249 12.055 1.00 0.00 N 937 | ATOM 935 H TRP A 62 5.767 18.658 11.142 1.00 0.00 H 938 | ATOM 936 CA TRP A 62 4.484 18.399 12.750 1.00 0.00 C 939 | ATOM 937 HA TRP A 62 4.648 18.482 13.734 1.00 0.00 H 940 | ATOM 938 C TRP A 62 3.478 17.292 12.474 1.00 0.00 C 941 | ATOM 939 O TRP A 62 2.718 17.000 13.329 1.00 0.00 O 942 | ATOM 940 CB TRP A 62 3.793 19.749 12.409 1.00 0.00 C 943 | ATOM 941 HB2 TRP A 62 3.003 19.192 12.144 1.00 0.00 H 944 | ATOM 942 HB3 TRP A 62 3.326 20.636 12.474 1.00 0.00 H 945 | ATOM 943 CG TRP A 62 4.622 20.935 12.674 1.00 0.00 C 946 | ATOM 944 CD1 TRP A 62 5.390 21.614 11.792 1.00 0.00 C 947 | ATOM 945 HD1 TRP A 62 5.648 21.595 10.825 1.00 0.00 H 948 | ATOM 946 CD2 TRP A 62 4.786 21.584 13.939 1.00 0.00 C 949 | ATOM 947 NE1 TRP A 62 6.055 22.630 12.439 1.00 0.00 N 950 | ATOM 948 HE1 TRP A 62 6.520 23.431 12.057 1.00 0.00 H 951 | ATOM 949 CE2 TRP A 62 5.685 22.631 13.757 1.00 0.00 C 952 | ATOM 950 CE3 TRP A 62 4.261 21.366 15.205 1.00 0.00 C 953 | ATOM 951 HE3 TRP A 62 3.709 20.659 15.648 1.00 0.00 H 954 | ATOM 952 CZ2 TRP A 62 6.030 23.461 14.775 1.00 0.00 C 955 | ATOM 953 HZ2 TRP A 62 6.670 24.228 14.711 1.00 0.00 H 956 | ATOM 954 CZ3 TRP A 62 4.626 22.187 16.216 1.00 0.00 C 957 | ATOM 955 HZ3 TRP A 62 4.267 22.244 17.149 1.00 0.00 H 958 | ATOM 956 CH2 TRP A 62 5.509 23.202 16.000 1.00 0.00 C 959 | ATOM 957 HH2 TRP A 62 5.759 23.826 16.742 1.00 0.00 H 960 | ATOM 958 N TRP A 63 3.433 16.731 11.266 1.00 0.00 N 961 | ATOM 959 H TRP A 63 4.320 16.756 10.803 1.00 0.00 H 962 | ATOM 960 CA TRP A 63 2.184 16.124 10.800 1.00 0.00 C 963 | ATOM 961 HA TRP A 63 1.552 16.342 11.544 1.00 0.00 H 964 | ATOM 962 C TRP A 63 2.223 14.626 10.592 1.00 0.00 C 965 | ATOM 963 O TRP A 63 1.234 14.002 10.549 1.00 0.00 O 966 | ATOM 964 CB TRP A 63 1.691 16.802 9.513 1.00 0.00 C 967 | ATOM 965 HB2 TRP A 63 1.354 16.155 8.831 1.00 0.00 H 968 | ATOM 966 HB3 TRP A 63 1.433 16.141 8.811 1.00 0.00 H 969 | ATOM 967 CG TRP A 63 1.547 18.328 9.682 1.00 0.00 C 970 | ATOM 968 CD1 TRP A 63 2.298 19.317 9.107 1.00 0.00 C 971 | ATOM 969 HD1 TRP A 63 3.216 19.310 8.707 1.00 0.00 H 972 | ATOM 970 CD2 TRP A 63 0.607 18.993 10.515 1.00 0.00 C 973 | ATOM 971 NE1 TRP A 63 1.893 20.545 9.543 1.00 0.00 N 974 | ATOM 972 HE1 TRP A 63 2.311 21.439 9.377 1.00 0.00 H 975 | ATOM 973 CE2 TRP A 63 0.844 20.374 10.394 1.00 0.00 C 976 | ATOM 974 CE3 TRP A 63 -0.407 18.571 11.351 1.00 0.00 C 977 | ATOM 975 HE3 TRP A 63 -0.530 17.595 11.538 1.00 0.00 H 978 | ATOM 976 CZ2 TRP A 63 0.104 21.302 11.106 1.00 0.00 C 979 | ATOM 977 HZ2 TRP A 63 0.457 22.234 11.205 1.00 0.00 H 980 | ATOM 978 CZ3 TRP A 63 -1.126 19.461 11.987 1.00 0.00 C 981 | ATOM 979 HZ3 TRP A 63 -1.753 19.388 12.764 1.00 0.00 H 982 | ATOM 980 CH2 TRP A 63 -0.880 20.814 11.884 1.00 0.00 C 983 | ATOM 981 HH2 TRP A 63 -1.204 21.500 12.537 1.00 0.00 H 984 | ATOM 982 N CYS A 64 3.407 14.110 10.479 1.00 0.00 N 985 | ATOM 983 H CYS A 64 4.288 14.564 10.623 1.00 0.00 H 986 | ATOM 984 CA CYS A 64 3.528 12.729 10.101 1.00 0.00 C 987 | ATOM 985 HA CYS A 64 2.967 12.270 10.792 1.00 0.00 H 988 | ATOM 986 C CYS A 64 4.839 12.140 10.680 1.00 0.00 C 989 | ATOM 987 O CYS A 64 5.731 12.872 10.987 1.00 0.00 O 990 | ATOM 988 CB CYS A 64 3.383 12.512 8.600 1.00 0.00 C 991 | ATOM 989 HB2 CYS A 64 2.459 12.189 8.388 1.00 0.00 H 992 | ATOM 990 HB3 CYS A 64 2.797 12.035 7.943 1.00 0.00 H 993 | ATOM 991 SG CYS A 64 4.787 13.316 7.590 1.00 0.00 S 994 | ATOM 992 N ASN A 65 4.885 10.823 10.857 1.00 0.00 N 995 | ATOM 993 H ASN A 65 4.051 10.284 10.986 1.00 0.00 H 996 | ATOM 994 CA ASN A 65 6.109 10.171 11.279 1.00 0.00 C 997 | ATOM 995 HA ASN A 65 6.649 10.858 11.768 1.00 0.00 H 998 | ATOM 996 C ASN A 65 6.962 9.570 10.133 1.00 0.00 C 999 | ATOM 997 O ASN A 65 6.489 8.754 9.382 1.00 0.00 O 1000 | ATOM 998 CB ASN A 65 5.834 9.082 12.316 1.00 0.00 C 1001 | ATOM 999 HB2 ASN A 65 5.245 8.269 12.334 1.00 0.00 H 1002 | ATOM 1000 HB3 ASN A 65 5.709 9.779 13.027 1.00 0.00 H 1003 | ATOM 1001 CG ASN A 65 7.101 8.419 12.739 1.00 0.00 C 1004 | ATOM 1002 OD1 ASN A 65 7.949 9.035 13.318 1.00 0.00 O 1005 | ATOM 1003 ND2 ASN A 65 7.246 7.156 12.367 1.00 0.00 N 1006 | ATOM 1004 HD21 ASN A 65 7.674 6.352 12.789 1.00 0.00 H 1007 | ATOM 1005 HD22 ASN A 65 7.112 6.461 11.656 1.00 0.00 H 1008 | ATOM 1006 N ASP A 66 8.204 10.026 10.040 1.00 0.00 N 1009 | ATOM 1007 H ASP A 66 8.532 10.851 10.503 1.00 0.00 H 1010 | ATOM 1008 CA ASP A 66 9.187 9.400 9.158 1.00 0.00 C 1011 | ATOM 1009 HA ASP A 66 8.857 8.474 8.970 1.00 0.00 H 1012 | ATOM 1010 C ASP A 66 10.369 8.687 9.865 1.00 0.00 C 1013 | ATOM 1011 O ASP A 66 11.257 8.229 9.227 1.00 0.00 O 1014 | ATOM 1012 CB ASP A 66 9.677 10.306 8.032 1.00 0.00 C 1015 | ATOM 1013 HB2 ASP A 66 9.225 10.131 7.166 1.00 0.00 H 1016 | ATOM 1014 HB3 ASP A 66 10.321 10.126 7.290 1.00 0.00 H 1017 | ATOM 1015 CG ASP A 66 10.454 11.559 8.527 1.00 0.00 C 1018 | ATOM 1016 OD1 ASP A 66 10.796 11.601 9.687 1.00 0.00 O 1019 | ATOM 1017 OD2 ASP A 66 10.740 12.390 7.719 1.00 0.00 O 1020 | ATOM 1018 N GLY A 67 10.264 8.627 11.163 1.00 0.00 N 1021 | ATOM 1019 H GLY A 67 9.612 9.032 11.805 1.00 0.00 H 1022 | ATOM 1020 CA GLY A 67 11.309 8.112 12.022 1.00 0.00 C 1023 | ATOM 1021 HA2 GLY A 67 10.730 7.303 12.151 1.00 0.00 H 1024 | ATOM 1022 HA3 GLY A 67 11.766 7.778 12.850 1.00 0.00 H 1025 | ATOM 1023 C GLY A 67 12.665 8.792 12.011 1.00 0.00 C 1026 | ATOM 1024 O GLY A 67 13.570 8.301 12.637 1.00 0.00 O 1027 | ATOM 1025 N ARG A 68 12.797 9.863 11.252 1.00 0.00 N 1028 | ATOM 1026 H ARG A 68 11.973 10.431 11.224 1.00 0.00 H 1029 | ATOM 1027 CA ARG A 68 14.067 10.587 11.100 1.00 0.00 C 1030 | ATOM 1028 HA ARG A 68 14.684 10.358 11.854 1.00 0.00 H 1031 | ATOM 1029 C ARG A 68 13.954 12.101 11.343 1.00 0.00 C 1032 | ATOM 1030 O ARG A 68 14.754 12.835 10.855 1.00 0.00 O 1033 | ATOM 1031 CB ARG A 68 14.777 10.307 9.768 1.00 0.00 C 1034 | ATOM 1032 HB2 ARG A 68 15.760 10.130 9.840 1.00 0.00 H 1035 | ATOM 1033 HB3 ARG A 68 15.755 10.097 9.810 1.00 0.00 H 1036 | ATOM 1034 CG ARG A 68 14.013 10.634 8.462 1.00 0.00 C 1037 | ATOM 1035 HG2 ARG A 68 13.565 11.463 8.123 1.00 0.00 H 1038 | ATOM 1036 HG3 ARG A 68 13.421 9.860 8.692 1.00 0.00 H 1039 | ATOM 1037 CD ARG A 68 14.930 10.986 7.291 1.00 0.00 C 1040 | ATOM 1038 HD2 ARG A 68 14.658 10.899 6.330 1.00 0.00 H 1041 | ATOM 1039 HD3 ARG A 68 15.709 10.358 7.239 1.00 0.00 H 1042 | ATOM 1040 NE ARG A 68 15.377 12.336 7.476 1.00 0.00 N 1043 | ATOM 1041 HE ARG A 68 14.768 13.028 7.867 1.00 0.00 H 1044 | ATOM 1042 CZ ARG A 68 16.603 12.803 7.281 1.00 0.00 C 1045 | ATOM 1043 NH1 ARG A 68 17.556 12.037 6.801 1.00 0.00 N 1046 | ATOM 1044 HH11 ARG A 68 18.507 11.764 6.650 1.00 0.00 H 1047 | ATOM 1045 HH12 ARG A 68 18.488 11.725 6.609 1.00 0.00 H 1048 | ATOM 1046 NH2 ARG A 68 16.848 14.052 7.577 1.00 0.00 N 1049 | ATOM 1047 HH21 ARG A 68 17.609 14.478 7.081 1.00 0.00 H 1050 | ATOM 1048 HH22 ARG A 68 16.602 14.271 8.524 1.00 0.00 H 1051 | ATOM 1049 N THR A 69 12.972 12.497 12.113 1.00 0.00 N 1052 | ATOM 1050 H THR A 69 12.511 11.930 12.797 1.00 0.00 H 1053 | ATOM 1051 CA THR A 69 12.822 13.862 12.539 1.00 0.00 C 1054 | ATOM 1052 HA THR A 69 13.606 14.464 12.381 1.00 0.00 H 1055 | ATOM 1053 C THR A 69 12.689 13.915 14.057 1.00 0.00 C 1056 | ATOM 1054 O THR A 69 11.665 14.102 14.561 1.00 0.00 O 1057 | ATOM 1055 CB THR A 69 11.549 14.533 11.848 1.00 0.00 C 1058 | ATOM 1056 HB THR A 69 10.722 14.210 12.311 1.00 0.00 H 1059 | ATOM 1057 OG1 THR A 69 11.557 14.227 10.457 1.00 0.00 O 1060 | ATOM 1058 HG1 THR A 69 12.478 14.392 10.100 1.00 0.00 H 1061 | ATOM 1059 CG2 THR A 69 11.598 16.054 11.980 1.00 0.00 C 1062 | ATOM 1060 HG21 THR A 69 11.891 16.877 11.493 1.00 0.00 H 1063 | ATOM 1061 HG22 THR A 69 11.575 15.919 12.971 1.00 0.00 H 1064 | ATOM 1062 HG23 THR A 69 12.033 16.916 11.713 1.00 0.00 H 1065 | ATOM 1063 N PRO A 70 13.774 13.764 14.785 1.00 0.00 N 1066 | ATOM 1064 CA PRO A 70 13.622 13.658 16.254 1.00 0.00 C 1067 | ATOM 1065 HA PRO A 70 13.103 12.887 16.623 1.00 0.00 H 1068 | ATOM 1066 C PRO A 70 13.046 14.905 16.910 1.00 0.00 C 1069 | ATOM 1067 O PRO A 70 13.358 15.989 16.466 1.00 0.00 O 1070 | ATOM 1068 CB PRO A 70 15.046 13.435 16.753 1.00 0.00 C 1071 | ATOM 1069 HB2 PRO A 70 15.139 14.281 17.286 1.00 0.00 H 1072 | ATOM 1070 HB3 PRO A 70 15.301 12.561 17.176 1.00 0.00 H 1073 | ATOM 1071 CG PRO A 70 15.926 13.445 15.611 1.00 0.00 C 1074 | ATOM 1072 HG2 PRO A 70 16.896 13.669 15.720 1.00 0.00 H 1075 | ATOM 1073 HG3 PRO A 70 16.919 13.545 15.693 1.00 0.00 H 1076 | ATOM 1074 CD PRO A 70 15.117 13.423 14.331 1.00 0.00 C 1077 | ATOM 1075 HD2 PRO A 70 15.350 14.292 13.885 1.00 0.00 H 1078 | ATOM 1076 HD3 PRO A 70 15.442 12.510 14.069 1.00 0.00 H 1079 | ATOM 1077 N GLY A 71 12.225 14.768 17.940 1.00 0.00 N 1080 | ATOM 1078 H GLY A 71 12.365 14.054 18.628 1.00 0.00 H 1081 | ATOM 1079 CA GLY A 71 11.573 15.904 18.506 1.00 0.00 C 1082 | ATOM 1080 HA2 GLY A 71 11.924 16.392 19.307 1.00 0.00 H 1083 | ATOM 1081 HA3 GLY A 71 11.849 16.338 19.365 1.00 0.00 H 1084 | ATOM 1082 C GLY A 71 10.313 16.382 17.817 1.00 0.00 C 1085 | ATOM 1083 O GLY A 71 9.686 17.301 18.252 1.00 0.00 O 1086 | ATOM 1084 N SER A 72 9.940 15.709 16.742 1.00 0.00 N 1087 | ATOM 1085 H SER A 72 10.337 14.793 16.810 1.00 0.00 H 1088 | ATOM 1086 CA SER A 72 8.807 16.159 15.971 1.00 0.00 C 1089 | ATOM 1087 HA SER A 72 8.757 17.109 16.284 1.00 0.00 H 1090 | ATOM 1088 C SER A 72 7.446 15.594 16.467 1.00 0.00 C 1091 | ATOM 1089 O SER A 72 7.426 14.735 17.317 1.00 0.00 O 1092 | ATOM 1090 CB SER A 72 9.034 15.787 14.531 1.00 0.00 C 1093 | ATOM 1091 HB2 SER A 72 9.019 16.702 14.119 1.00 0.00 H 1094 | ATOM 1092 HB3 SER A 72 9.921 16.092 14.174 1.00 0.00 H 1095 | ATOM 1093 OG SER A 72 8.919 14.422 14.334 1.00 0.00 O 1096 | ATOM 1094 HG SER A 72 9.498 13.953 15.003 1.00 0.00 H 1097 | ATOM 1095 N ARG A 73 6.379 16.066 15.859 1.00 0.00 N 1098 | ATOM 1096 H ARG A 73 6.489 16.934 15.372 1.00 0.00 H 1099 | ATOM 1097 CA ARG A 73 5.117 15.521 16.185 1.00 0.00 C 1100 | ATOM 1098 HA ARG A 73 5.146 14.985 17.030 1.00 0.00 H 1101 | ATOM 1099 C ARG A 73 4.626 14.675 15.002 1.00 0.00 C 1102 | ATOM 1100 O ARG A 73 5.228 14.643 13.980 1.00 0.00 O 1103 | ATOM 1101 CB ARG A 73 4.142 16.648 16.473 1.00 0.00 C 1104 | ATOM 1102 HB2 ARG A 73 3.645 17.514 16.391 1.00 0.00 H 1105 | ATOM 1103 HB3 ARG A 73 3.511 16.280 15.786 1.00 0.00 H 1106 | ATOM 1104 CG ARG A 73 4.618 17.668 17.488 1.00 0.00 C 1107 | ATOM 1105 HG2 ARG A 73 5.564 17.775 17.177 1.00 0.00 H 1108 | ATOM 1106 HG3 ARG A 73 4.183 18.527 17.764 1.00 0.00 H 1109 | ATOM 1107 CD ARG A 73 4.406 17.182 18.836 1.00 0.00 C 1110 | ATOM 1108 HD2 ARG A 73 5.077 16.953 19.543 1.00 0.00 H 1111 | ATOM 1109 HD3 ARG A 73 5.067 16.899 19.533 1.00 0.00 H 1112 | ATOM 1110 NE ARG A 73 3.045 17.416 19.275 1.00 0.00 N 1113 | ATOM 1111 HE ARG A 73 2.555 16.641 19.678 1.00 0.00 H 1114 | ATOM 1112 CZ ARG A 73 2.578 18.603 19.664 1.00 0.00 C 1115 | ATOM 1113 NH1 ARG A 73 3.349 19.671 19.667 1.00 0.00 N 1116 | ATOM 1114 HH11 ARG A 73 3.860 20.472 19.985 1.00 0.00 H 1117 | ATOM 1115 HH12 ARG A 73 4.001 20.395 19.896 1.00 0.00 H 1118 | ATOM 1116 NH2 ARG A 73 1.341 18.720 20.086 1.00 0.00 N 1119 | ATOM 1117 HH21 ARG A 73 1.260 18.315 21.001 1.00 0.00 H 1120 | ATOM 1118 HH22 ARG A 73 0.693 19.369 19.679 1.00 0.00 H 1121 | ATOM 1119 N ASN A 74 3.479 14.054 15.206 1.00 0.00 N 1122 | ATOM 1120 H ASN A 74 3.128 14.008 16.142 1.00 0.00 H 1123 | ATOM 1121 CA ASN A 74 2.802 13.261 14.203 1.00 0.00 C 1124 | ATOM 1122 HA ASN A 74 3.282 13.516 13.362 1.00 0.00 H 1125 | ATOM 1123 C ASN A 74 1.286 13.521 14.355 1.00 0.00 C 1126 | ATOM 1124 O ASN A 74 0.542 12.655 14.723 1.00 0.00 O 1127 | ATOM 1125 CB ASN A 74 3.157 11.761 14.426 1.00 0.00 C 1128 | ATOM 1126 HB2 ASN A 74 4.127 11.572 14.602 1.00 0.00 H 1129 | ATOM 1127 HB3 ASN A 74 3.149 11.437 15.376 1.00 0.00 H 1130 | ATOM 1128 CG ASN A 74 2.463 10.791 13.444 1.00 0.00 C 1131 | ATOM 1129 OD1 ASN A 74 2.562 9.593 13.593 1.00 0.00 O 1132 | ATOM 1130 ND2 ASN A 74 1.820 11.315 12.467 1.00 0.00 N 1133 | ATOM 1131 HD21 ASN A 74 1.249 12.014 12.035 1.00 0.00 H 1134 | ATOM 1132 HD22 ASN A 74 1.305 12.059 12.038 1.00 0.00 H 1135 | ATOM 1133 N LEU A 75 0.896 14.753 14.110 1.00 0.00 N 1136 | ATOM 1134 H LEU A 75 1.579 15.482 14.041 1.00 0.00 H 1137 | ATOM 1135 CA LEU A 75 -0.449 15.156 14.402 1.00 0.00 C 1138 | ATOM 1136 HA LEU A 75 -0.641 14.810 15.322 1.00 0.00 H 1139 | ATOM 1137 C LEU A 75 -1.547 14.567 13.493 1.00 0.00 C 1140 | ATOM 1138 O LEU A 75 -2.667 14.490 13.878 1.00 0.00 O 1141 | ATOM 1139 CB LEU A 75 -0.548 16.679 14.495 1.00 0.00 C 1142 | ATOM 1140 HB2 LEU A 75 -0.883 17.163 13.685 1.00 0.00 H 1143 | ATOM 1141 HB3 LEU A 75 -0.938 17.504 14.083 1.00 0.00 H 1144 | ATOM 1142 CG LEU A 75 0.187 17.326 15.679 1.00 0.00 C 1145 | ATOM 1143 HG LEU A 75 1.052 16.965 16.030 1.00 0.00 H 1146 | ATOM 1144 CD1 LEU A 75 0.507 18.784 15.372 1.00 0.00 C 1147 | ATOM 1145 HD11 LEU A 75 0.289 18.942 14.400 1.00 0.00 H 1148 | ATOM 1146 HD12 LEU A 75 0.020 19.143 16.178 1.00 0.00 H 1149 | ATOM 1147 HD13 LEU A 75 1.433 19.155 15.473 1.00 0.00 H 1150 | ATOM 1148 CD2 LEU A 75 -0.603 17.176 16.944 1.00 0.00 C 1151 | ATOM 1149 HD21 LEU A 75 -0.920 16.219 16.890 1.00 0.00 H 1152 | ATOM 1150 HD22 LEU A 75 -0.728 17.321 17.934 1.00 0.00 H 1153 | ATOM 1151 HD23 LEU A 75 -0.645 18.178 16.982 1.00 0.00 H 1154 | ATOM 1152 N CYS A 76 -1.166 14.093 12.316 1.00 0.00 N 1155 | ATOM 1153 H CYS A 76 -0.317 14.490 11.964 1.00 0.00 H 1156 | ATOM 1154 CA CYS A 76 -2.105 13.362 11.485 1.00 0.00 C 1157 | ATOM 1155 HA CYS A 76 -3.044 13.610 11.724 1.00 0.00 H 1158 | ATOM 1156 C CYS A 76 -2.084 11.874 11.741 1.00 0.00 C 1159 | ATOM 1157 O CYS A 76 -2.826 11.206 11.146 1.00 0.00 O 1160 | ATOM 1158 CB CYS A 76 -1.891 13.609 9.994 1.00 0.00 C 1161 | ATOM 1159 HB2 CYS A 76 -1.220 13.199 9.374 1.00 0.00 H 1162 | ATOM 1160 HB3 CYS A 76 -1.200 13.220 9.383 1.00 0.00 H 1163 | ATOM 1161 SG CYS A 76 -2.164 15.435 9.599 1.00 0.00 S 1164 | ATOM 1162 N ASN A 77 -1.217 11.418 12.638 1.00 0.00 N 1165 | ATOM 1163 H ASN A 77 -0.913 12.010 13.386 1.00 0.00 H 1166 | ATOM 1164 CA ASN A 77 -1.155 10.022 13.038 1.00 0.00 C 1167 | ATOM 1165 HA ASN A 77 -0.428 9.868 13.709 1.00 0.00 H 1168 | ATOM 1166 C ASN A 77 -0.993 9.076 11.869 1.00 0.00 C 1169 | ATOM 1167 O ASN A 77 -1.714 8.139 11.750 1.00 0.00 O 1170 | ATOM 1168 CB ASN A 77 -2.372 9.620 13.859 1.00 0.00 C 1171 | ATOM 1169 HB2 ASN A 77 -3.020 10.298 14.209 1.00 0.00 H 1172 | ATOM 1170 HB3 ASN A 77 -3.161 10.128 14.209 1.00 0.00 H 1173 | ATOM 1171 CG ASN A 77 -2.164 8.309 14.588 1.00 0.00 C 1174 | ATOM 1172 OD1 ASN A 77 -1.072 8.027 15.031 1.00 0.00 O 1175 | ATOM 1173 ND2 ASN A 77 -3.213 7.521 14.705 1.00 0.00 N 1176 | ATOM 1174 HD21 ASN A 77 -3.664 6.758 15.177 1.00 0.00 H 1177 | ATOM 1175 HD22 ASN A 77 -4.181 7.640 14.940 1.00 0.00 H 1178 | ATOM 1176 N ILE A 78 -0.010 9.347 11.010 1.00 0.00 N 1179 | ATOM 1177 H ILE A 78 0.604 10.080 11.306 1.00 0.00 H 1180 | ATOM 1178 CA ILE A 78 0.216 8.571 9.814 1.00 0.00 C 1181 | ATOM 1179 HA ILE A 78 0.041 7.730 10.326 1.00 0.00 H 1182 | ATOM 1180 C ILE A 78 1.738 8.504 9.546 1.00 0.00 C 1183 | ATOM 1181 O ILE A 78 2.427 9.419 9.887 1.00 0.00 O 1184 | ATOM 1182 CB ILE A 78 -0.438 9.209 8.585 1.00 0.00 C 1185 | ATOM 1183 HB ILE A 78 -0.055 8.773 7.769 1.00 0.00 H 1186 | ATOM 1184 CG1 ILE A 78 -0.020 10.665 8.452 1.00 0.00 C 1187 | ATOM 1185 HG12 ILE A 78 0.451 11.190 9.163 1.00 0.00 H 1188 | ATOM 1186 HG13 ILE A 78 0.433 11.176 9.184 1.00 0.00 H 1189 | ATOM 1187 CG2 ILE A 78 -1.926 8.883 8.470 1.00 0.00 C 1190 | ATOM 1188 HG21 ILE A 78 -2.459 9.594 8.924 1.00 0.00 H 1191 | ATOM 1189 HG22 ILE A 78 -2.354 8.624 7.602 1.00 0.00 H 1192 | ATOM 1190 HG23 ILE A 78 -2.426 8.244 9.056 1.00 0.00 H 1193 | ATOM 1191 CD1 ILE A 78 -0.432 11.261 7.174 1.00 0.00 C 1194 | ATOM 1192 HD11 ILE A 78 -1.254 11.716 6.823 1.00 0.00 H 1195 | ATOM 1193 HD12 ILE A 78 -1.408 11.441 7.029 1.00 0.00 H 1196 | ATOM 1194 HD13 ILE A 78 0.556 11.210 6.968 1.00 0.00 H 1197 | ATOM 1195 N PRO A 79 2.196 7.443 8.889 1.00 0.00 N 1198 | ATOM 1196 CA PRO A 79 3.536 7.456 8.318 1.00 0.00 C 1199 | ATOM 1197 HA PRO A 79 4.139 7.556 9.111 1.00 0.00 H 1200 | ATOM 1198 C PRO A 79 3.623 8.450 7.184 1.00 0.00 C 1201 | ATOM 1199 O PRO A 79 2.752 8.540 6.377 1.00 0.00 O 1202 | ATOM 1200 CB PRO A 79 3.750 6.007 7.805 1.00 0.00 C 1203 | ATOM 1201 HB2 PRO A 79 4.669 5.646 7.637 1.00 0.00 H 1204 | ATOM 1202 HB3 PRO A 79 4.662 5.625 7.644 1.00 0.00 H 1205 | ATOM 1203 CG PRO A 79 2.507 5.376 7.857 1.00 0.00 C 1206 | ATOM 1204 HG2 PRO A 79 2.853 4.563 8.327 1.00 0.00 H 1207 | ATOM 1205 HG3 PRO A 79 2.111 4.757 7.180 1.00 0.00 H 1208 | ATOM 1206 CD PRO A 79 1.512 6.163 8.642 1.00 0.00 C 1209 | ATOM 1207 HD2 PRO A 79 1.426 5.542 9.430 1.00 0.00 H 1210 | ATOM 1208 HD3 PRO A 79 0.597 6.492 8.396 1.00 0.00 H 1211 | ATOM 1209 N CYS A 80 4.740 9.147 7.116 1.00 0.00 N 1212 | ATOM 1210 H CYS A 80 5.504 9.070 7.758 1.00 0.00 H 1213 | ATOM 1211 CA CYS A 80 4.876 10.112 6.052 1.00 0.00 C 1214 | ATOM 1212 HA CYS A 80 4.239 10.877 6.158 1.00 0.00 H 1215 | ATOM 1213 C CYS A 80 4.784 9.444 4.675 1.00 0.00 C 1216 | ATOM 1214 O CYS A 80 4.297 10.034 3.760 1.00 0.00 O 1217 | ATOM 1215 CB CYS A 80 6.197 10.812 6.135 1.00 0.00 C 1218 | ATOM 1216 HB2 CYS A 80 7.076 10.572 5.719 1.00 0.00 H 1219 | ATOM 1217 HB3 CYS A 80 6.988 10.931 5.532 1.00 0.00 H 1220 | ATOM 1218 SG CYS A 80 6.391 11.812 7.644 1.00 0.00 S 1221 | ATOM 1219 N SER A 81 5.253 8.206 4.578 1.00 0.00 N 1222 | ATOM 1220 H SER A 81 5.908 7.892 5.267 1.00 0.00 H 1223 | ATOM 1221 CA SER A 81 5.072 7.484 3.319 1.00 0.00 C 1224 | ATOM 1222 HA SER A 81 5.652 7.996 2.683 1.00 0.00 H 1225 | ATOM 1223 C SER A 81 3.637 7.406 2.794 1.00 0.00 C 1226 | ATOM 1224 O SER A 81 3.431 7.319 1.604 1.00 0.00 O 1227 | ATOM 1225 CB SER A 81 5.736 6.099 3.335 1.00 0.00 C 1228 | ATOM 1226 HB2 SER A 81 5.967 5.591 2.501 1.00 0.00 H 1229 | ATOM 1227 HB3 SER A 81 6.714 6.188 3.538 1.00 0.00 H 1230 | ATOM 1228 OG SER A 81 5.168 5.300 4.280 1.00 0.00 O 1231 | ATOM 1229 HG SER A 81 5.471 5.610 5.183 1.00 0.00 H 1232 | ATOM 1230 N ALA A 82 2.651 7.432 3.686 1.00 0.00 N 1233 | ATOM 1231 H ALA A 82 2.881 7.330 4.655 1.00 0.00 H 1234 | ATOM 1232 CA ALA A 82 1.268 7.345 3.233 1.00 0.00 C 1235 | ATOM 1233 HA ALA A 82 1.321 6.549 2.632 1.00 0.00 H 1236 | ATOM 1234 C ALA A 82 0.883 8.584 2.435 1.00 0.00 C 1237 | ATOM 1235 O ALA A 82 -0.013 8.569 1.682 1.00 0.00 O 1238 | ATOM 1236 CB ALA A 82 0.283 7.093 4.362 1.00 0.00 C 1239 | ATOM 1237 HB1 ALA A 82 -0.598 7.388 4.737 1.00 0.00 H 1240 | ATOM 1238 HB2 ALA A 82 -0.669 7.391 4.462 1.00 0.00 H 1241 | ATOM 1239 HB3 ALA A 82 0.976 6.413 4.639 1.00 0.00 H 1242 | ATOM 1240 N LEU A 83 1.638 9.656 2.631 1.00 0.00 N 1243 | ATOM 1241 H LEU A 83 2.290 9.725 3.388 1.00 0.00 H 1244 | ATOM 1242 CA LEU A 83 1.438 10.890 1.868 1.00 0.00 C 1245 | ATOM 1243 HA LEU A 83 0.452 11.035 1.772 1.00 0.00 H 1246 | ATOM 1244 C LEU A 83 2.026 10.910 0.468 1.00 0.00 C 1247 | ATOM 1245 O LEU A 83 1.903 11.859 -0.202 1.00 0.00 O 1248 | ATOM 1246 CB LEU A 83 1.992 12.113 2.625 1.00 0.00 C 1249 | ATOM 1247 HB2 LEU A 83 2.630 12.793 2.260 1.00 0.00 H 1250 | ATOM 1248 HB3 LEU A 83 2.654 12.782 2.284 1.00 0.00 H 1251 | ATOM 1249 CG LEU A 83 1.487 12.197 4.034 1.00 0.00 C 1252 | ATOM 1250 HG LEU A 83 1.778 11.468 4.655 1.00 0.00 H 1253 | ATOM 1251 CD1 LEU A 83 2.165 13.322 4.817 1.00 0.00 C 1254 | ATOM 1252 HD11 LEU A 83 2.819 13.927 5.273 1.00 0.00 H 1255 | ATOM 1253 HD12 LEU A 83 2.789 13.903 5.342 1.00 0.00 H 1256 | ATOM 1254 HD13 LEU A 83 2.630 13.995 5.394 1.00 0.00 H 1257 | ATOM 1255 CD2 LEU A 83 -0.017 12.290 4.070 1.00 0.00 C 1258 | ATOM 1256 HD21 LEU A 83 -0.823 12.068 4.622 1.00 0.00 H 1259 | ATOM 1257 HD22 LEU A 83 -0.792 12.003 4.637 1.00 0.00 H 1260 | ATOM 1258 HD23 LEU A 83 0.269 12.924 3.335 1.00 0.00 H 1261 | ATOM 1259 N LEU A 84 2.661 9.815 0.058 1.00 0.00 N 1262 | ATOM 1260 H LEU A 84 3.070 9.216 0.748 1.00 0.00 H 1263 | ATOM 1261 CA LEU A 84 3.220 9.665 -1.273 1.00 0.00 C 1264 | ATOM 1262 HA LEU A 84 3.245 10.553 -1.735 1.00 0.00 H 1265 | ATOM 1263 C LEU A 84 2.361 8.784 -2.197 1.00 0.00 C 1266 | ATOM 1264 O LEU A 84 2.701 8.597 -3.343 1.00 0.00 O 1267 | ATOM 1265 CB LEU A 84 4.638 9.104 -1.233 1.00 0.00 C 1268 | ATOM 1266 HB2 LEU A 84 5.190 8.451 -1.754 1.00 0.00 H 1269 | ATOM 1267 HB3 LEU A 84 4.788 8.202 -1.641 1.00 0.00 H 1270 | ATOM 1268 CG LEU A 84 5.598 9.881 -0.361 1.00 0.00 C 1271 | ATOM 1269 HG LEU A 84 5.359 9.926 0.610 1.00 0.00 H 1272 | ATOM 1270 CD1 LEU A 84 6.921 9.173 -0.241 1.00 0.00 C 1273 | ATOM 1271 HD11 LEU A 84 6.876 8.438 0.440 1.00 0.00 H 1274 | ATOM 1272 HD12 LEU A 84 7.493 9.311 -1.053 1.00 0.00 H 1275 | ATOM 1273 HD13 LEU A 84 7.790 9.332 0.235 1.00 0.00 H 1276 | ATOM 1274 CD2 LEU A 84 5.825 11.314 -0.884 1.00 0.00 C 1277 | ATOM 1275 HD21 LEU A 84 5.120 11.586 -0.226 1.00 0.00 H 1278 | ATOM 1276 HD22 LEU A 84 6.336 10.862 -1.628 1.00 0.00 H 1279 | ATOM 1277 HD23 LEU A 84 6.089 12.275 -0.731 1.00 0.00 H 1280 | ATOM 1278 N SER A 85 1.253 8.284 -1.667 1.00 0.00 N 1281 | ATOM 1279 H SER A 85 0.999 8.557 -0.738 1.00 0.00 H 1282 | ATOM 1280 CA SER A 85 0.411 7.366 -2.377 1.00 0.00 C 1283 | ATOM 1281 HA SER A 85 1.115 6.675 -2.529 1.00 0.00 H 1284 | ATOM 1282 C SER A 85 -0.245 7.961 -3.638 1.00 0.00 C 1285 | ATOM 1283 O SER A 85 -0.498 9.123 -3.695 1.00 0.00 O 1286 | ATOM 1284 CB SER A 85 -0.673 6.802 -1.443 1.00 0.00 C 1287 | ATOM 1285 HB2 SER A 85 -0.806 7.045 -0.481 1.00 0.00 H 1288 | ATOM 1286 HB3 SER A 85 -0.728 6.914 -0.450 1.00 0.00 H 1289 | ATOM 1287 OG SER A 85 -1.539 5.939 -2.129 1.00 0.00 O 1290 | ATOM 1288 HG SER A 85 -1.679 5.119 -1.571 1.00 0.00 H 1291 | ATOM 1289 N SER A 86 -0.562 7.108 -4.604 1.00 0.00 N 1292 | ATOM 1290 H SER A 86 0.134 6.394 -4.558 1.00 0.00 H 1293 | ATOM 1291 CA SER A 86 -1.376 7.567 -5.699 1.00 0.00 C 1294 | ATOM 1292 HA SER A 86 -0.951 8.433 -5.967 1.00 0.00 H 1295 | ATOM 1293 C SER A 86 -2.757 8.047 -5.291 1.00 0.00 C 1296 | ATOM 1294 O SER A 86 -3.351 8.842 -5.957 1.00 0.00 O 1297 | ATOM 1295 CB SER A 86 -1.501 6.533 -6.806 1.00 0.00 C 1298 | ATOM 1296 HB2 SER A 86 -1.034 6.506 -7.691 1.00 0.00 H 1299 | ATOM 1297 HB3 SER A 86 -0.838 6.416 -7.548 1.00 0.00 H 1300 | ATOM 1298 OG SER A 86 -2.042 5.367 -6.340 1.00 0.00 O 1301 | ATOM 1299 HG SER A 86 -1.375 4.924 -5.739 1.00 0.00 H 1302 | ATOM 1300 N ASP A 87 -3.256 7.472 -4.245 1.00 0.00 N 1303 | ATOM 1301 H ASP A 87 -2.669 6.874 -3.696 1.00 0.00 H 1304 | ATOM 1302 CA ASP A 87 -4.513 7.807 -3.642 1.00 0.00 C 1305 | ATOM 1303 HA ASP A 87 -5.253 7.901 -4.310 1.00 0.00 H 1306 | ATOM 1304 C ASP A 87 -4.294 8.966 -2.679 1.00 0.00 C 1307 | ATOM 1305 O ASP A 87 -3.567 8.822 -1.755 1.00 0.00 O 1308 | ATOM 1306 CB ASP A 87 -4.952 6.576 -2.839 1.00 0.00 C 1309 | ATOM 1307 HB2 ASP A 87 -4.446 5.763 -2.549 1.00 0.00 H 1310 | ATOM 1308 HB3 ASP A 87 -4.519 5.713 -2.573 1.00 0.00 H 1311 | ATOM 1309 CG ASP A 87 -6.266 6.774 -2.042 1.00 0.00 C 1312 | ATOM 1310 OD1 ASP A 87 -6.757 7.848 -1.881 1.00 0.00 O 1313 | ATOM 1311 OD2 ASP A 87 -6.760 5.757 -1.567 1.00 0.00 O 1314 | ATOM 1312 N ILE A 88 -4.944 10.095 -2.910 1.00 0.00 N 1315 | ATOM 1313 H ILE A 88 -5.441 10.191 -3.774 1.00 0.00 H 1316 | ATOM 1314 CA ILE A 88 -4.689 11.303 -2.120 1.00 0.00 C 1317 | ATOM 1315 HA ILE A 88 -3.747 11.247 -1.785 1.00 0.00 H 1318 | ATOM 1316 C ILE A 88 -5.430 11.384 -0.799 1.00 0.00 C 1319 | ATOM 1317 O ILE A 88 -5.319 12.342 -0.117 1.00 0.00 O 1320 | ATOM 1318 CB ILE A 88 -4.872 12.600 -2.896 1.00 0.00 C 1321 | ATOM 1319 HB ILE A 88 -4.483 13.295 -2.290 1.00 0.00 H 1322 | ATOM 1320 CG1 ILE A 88 -6.318 12.888 -3.235 1.00 0.00 C 1323 | ATOM 1321 HG12 ILE A 88 -7.054 12.417 -2.746 1.00 0.00 H 1324 | ATOM 1322 HG13 ILE A 88 -7.037 12.404 -2.733 1.00 0.00 H 1325 | ATOM 1323 CG2 ILE A 88 -4.012 12.580 -4.147 1.00 0.00 C 1326 | ATOM 1324 HG21 ILE A 88 -4.557 12.052 -4.806 1.00 0.00 H 1327 | ATOM 1325 HG22 ILE A 88 -3.046 12.845 -4.234 1.00 0.00 H 1328 | ATOM 1326 HG23 ILE A 88 -3.353 13.188 -3.697 1.00 0.00 H 1329 | ATOM 1327 CD1 ILE A 88 -6.464 14.282 -3.743 1.00 0.00 C 1330 | ATOM 1328 HD11 ILE A 88 -5.696 14.313 -4.392 1.00 0.00 H 1331 | ATOM 1329 HD12 ILE A 88 -6.403 14.799 -2.883 1.00 0.00 H 1332 | ATOM 1330 HD13 ILE A 88 -7.302 14.385 -4.290 1.00 0.00 H 1333 | ATOM 1331 N THR A 89 -6.190 10.349 -0.465 1.00 0.00 N 1334 | ATOM 1332 H THR A 89 -6.104 9.506 -0.998 1.00 0.00 H 1335 | ATOM 1333 CA THR A 89 -6.986 10.406 0.732 1.00 0.00 C 1336 | ATOM 1334 HA THR A 89 -7.650 11.151 0.661 1.00 0.00 H 1337 | ATOM 1335 C THR A 89 -6.192 10.878 1.955 1.00 0.00 C 1338 | ATOM 1336 O THR A 89 -6.598 11.753 2.579 1.00 0.00 O 1339 | ATOM 1337 CB THR A 89 -7.692 9.038 1.064 1.00 0.00 C 1340 | ATOM 1338 HB THR A 89 -7.079 8.291 1.327 1.00 0.00 H 1341 | ATOM 1339 OG1 THR A 89 -8.519 8.635 -0.025 1.00 0.00 O 1342 | ATOM 1340 HG1 THR A 89 -8.376 9.270 -0.785 1.00 0.00 H 1343 | ATOM 1341 CG2 THR A 89 -8.541 9.153 2.323 1.00 0.00 C 1344 | ATOM 1342 HG21 THR A 89 -8.368 10.144 2.283 1.00 0.00 H 1345 | ATOM 1343 HG22 THR A 89 -8.800 8.255 2.687 1.00 0.00 H 1346 | ATOM 1344 HG23 THR A 89 -9.163 8.664 2.942 1.00 0.00 H 1347 | ATOM 1345 N ALA A 90 -5.036 10.281 2.238 1.00 0.00 N 1348 | ATOM 1346 H ALA A 90 -4.623 9.530 1.721 1.00 0.00 H 1349 | ATOM 1347 CA ALA A 90 -4.307 10.636 3.453 1.00 0.00 C 1350 | ATOM 1348 HA ALA A 90 -4.890 10.542 4.261 1.00 0.00 H 1351 | ATOM 1349 C ALA A 90 -3.786 12.064 3.435 1.00 0.00 C 1352 | ATOM 1350 O ALA A 90 -3.829 12.736 4.418 1.00 0.00 O 1353 | ATOM 1351 CB ALA A 90 -3.153 9.633 3.781 1.00 0.00 C 1354 | ATOM 1352 HB1 ALA A 90 -3.328 8.705 4.121 1.00 0.00 H 1355 | ATOM 1353 HB2 ALA A 90 -2.952 10.302 4.502 1.00 0.00 H 1356 | ATOM 1354 HB3 ALA A 90 -2.872 9.562 2.815 1.00 0.00 H 1357 | ATOM 1355 N SER A 91 -3.275 12.493 2.293 1.00 0.00 N 1358 | ATOM 1356 H SER A 91 -2.934 11.824 1.631 1.00 0.00 H 1359 | ATOM 1357 CA SER A 91 -2.861 13.900 2.179 1.00 0.00 C 1360 | ATOM 1358 HA SER A 91 -2.190 14.174 2.870 1.00 0.00 H 1361 | ATOM 1359 C SER A 91 -3.999 14.913 2.395 1.00 0.00 C 1362 | ATOM 1360 O SER A 91 -3.792 15.930 2.962 1.00 0.00 O 1363 | ATOM 1361 CB SER A 91 -2.176 14.189 0.853 1.00 0.00 C 1364 | ATOM 1362 HB2 SER A 91 -2.013 14.691 0.000 1.00 0.00 H 1365 | ATOM 1363 HB3 SER A 91 -2.800 14.900 0.521 1.00 0.00 H 1366 | ATOM 1364 OG SER A 91 -0.925 13.616 0.863 1.00 0.00 O 1367 | ATOM 1365 HG SER A 91 -0.246 14.337 1.008 1.00 0.00 H 1368 | ATOM 1366 N VAL A 92 -5.165 14.605 1.866 1.00 0.00 N 1369 | ATOM 1367 H VAL A 92 -5.245 13.676 1.503 1.00 0.00 H 1370 | ATOM 1368 CA VAL A 92 -6.276 15.508 2.025 1.00 0.00 C 1371 | ATOM 1369 HA VAL A 92 -5.972 16.443 1.835 1.00 0.00 H 1372 | ATOM 1370 C VAL A 92 -6.787 15.506 3.444 1.00 0.00 C 1373 | ATOM 1371 O VAL A 92 -7.036 16.543 3.953 1.00 0.00 O 1374 | ATOM 1372 CB VAL A 92 -7.470 15.166 1.068 1.00 0.00 C 1375 | ATOM 1373 HB VAL A 92 -7.843 14.238 1.117 1.00 0.00 H 1376 | ATOM 1374 CG1 VAL A 92 -8.676 16.004 1.466 1.00 0.00 C 1377 | ATOM 1375 HG11 VAL A 92 -9.294 16.690 1.853 1.00 0.00 H 1378 | ATOM 1376 HG12 VAL A 92 -9.265 16.707 1.866 1.00 0.00 H 1379 | ATOM 1377 HG13 VAL A 92 -9.290 16.571 2.017 1.00 0.00 H 1380 | ATOM 1378 CG2 VAL A 92 -7.053 15.427 -0.377 1.00 0.00 C 1381 | ATOM 1379 HG21 VAL A 92 -6.146 15.652 -0.742 1.00 0.00 H 1382 | ATOM 1380 HG22 VAL A 92 -6.975 16.430 -0.408 1.00 0.00 H 1383 | ATOM 1381 HG23 VAL A 92 -6.620 15.005 -1.180 1.00 0.00 H 1384 | ATOM 1382 N ASN A 93 -6.927 14.364 4.049 1.00 0.00 N 1385 | ATOM 1383 H ASN A 93 -6.593 13.472 3.741 1.00 0.00 H 1386 | ATOM 1384 CA ASN A 93 -7.388 14.345 5.392 1.00 0.00 C 1387 | ATOM 1385 HA ASN A 93 -8.239 14.822 5.618 1.00 0.00 H 1388 | ATOM 1386 C ASN A 93 -6.394 15.010 6.365 1.00 0.00 C 1389 | ATOM 1387 O ASN A 93 -6.819 15.613 7.307 1.00 0.00 O 1390 | ATOM 1388 CB ASN A 93 -7.634 12.923 5.825 1.00 0.00 C 1391 | ATOM 1389 HB2 ASN A 93 -7.135 12.462 6.560 1.00 0.00 H 1392 | ATOM 1390 HB3 ASN A 93 -7.167 12.505 6.606 1.00 0.00 H 1393 | ATOM 1391 CG ASN A 93 -8.855 12.328 5.157 1.00 0.00 C 1394 | ATOM 1392 OD1 ASN A 93 -9.645 13.024 4.587 1.00 0.00 O 1395 | ATOM 1393 ND2 ASN A 93 -8.972 11.057 5.249 1.00 0.00 N 1396 | ATOM 1394 HD21 ASN A 93 -9.110 10.267 5.848 1.00 0.00 H 1397 | ATOM 1395 HD22 ASN A 93 -9.157 10.250 5.812 1.00 0.00 H 1398 | ATOM 1396 N CYS A 94 -5.111 14.884 6.124 1.00 0.00 N 1399 | ATOM 1397 H CYS A 94 -4.675 14.422 5.351 1.00 0.00 H 1400 | ATOM 1398 CA CYS A 94 -4.148 15.565 6.911 1.00 0.00 C 1401 | ATOM 1399 HA CYS A 94 -4.268 15.403 7.892 1.00 0.00 H 1402 | ATOM 1400 C CYS A 94 -4.195 17.075 6.609 1.00 0.00 C 1403 | ATOM 1401 O CYS A 94 -4.168 17.844 7.509 1.00 0.00 O 1404 | ATOM 1402 CB CYS A 94 -2.750 14.985 6.597 1.00 0.00 C 1405 | ATOM 1403 HB2 CYS A 94 -2.392 14.054 6.487 1.00 0.00 H 1406 | ATOM 1404 HB3 CYS A 94 -2.183 14.939 5.770 1.00 0.00 H 1407 | ATOM 1405 SG CYS A 94 -1.427 15.634 7.677 1.00 0.00 S 1408 | ATOM 1406 N ALA A 95 -4.286 17.456 5.346 1.00 0.00 N 1409 | ATOM 1407 H ALA A 95 -4.122 16.871 4.550 1.00 0.00 H 1410 | ATOM 1408 CA ALA A 95 -4.373 18.879 5.049 1.00 0.00 C 1411 | ATOM 1409 HA ALA A 95 -3.502 19.279 5.339 1.00 0.00 H 1412 | ATOM 1410 C ALA A 95 -5.531 19.556 5.724 1.00 0.00 C 1413 | ATOM 1411 O ALA A 95 -5.416 20.683 6.099 1.00 0.00 O 1414 | ATOM 1412 CB ALA A 95 -4.480 19.110 3.532 1.00 0.00 C 1415 | ATOM 1413 HB1 ALA A 95 -4.649 20.098 3.477 1.00 0.00 H 1416 | ATOM 1414 HB2 ALA A 95 -4.521 20.068 3.237 1.00 0.00 H 1417 | ATOM 1415 HB3 ALA A 95 -4.417 18.182 3.146 1.00 0.00 H 1418 | ATOM 1416 N LYS A 96 -6.637 18.831 5.883 1.00 0.00 N 1419 | ATOM 1417 H LYS A 96 -6.691 17.838 5.770 1.00 0.00 H 1420 | ATOM 1418 CA LYS A 96 -7.752 19.358 6.667 1.00 0.00 C 1421 | ATOM 1419 HA LYS A 96 -7.930 20.272 6.299 1.00 0.00 H 1422 | ATOM 1420 C LYS A 96 -7.402 19.762 8.077 1.00 0.00 C 1423 | ATOM 1421 O LYS A 96 -7.830 20.800 8.545 1.00 0.00 O 1424 | ATOM 1422 CB LYS A 96 -8.992 18.426 6.667 1.00 0.00 C 1425 | ATOM 1423 HB2 LYS A 96 -8.673 17.538 7.005 1.00 0.00 H 1426 | ATOM 1424 HB3 LYS A 96 -9.617 18.937 7.260 1.00 0.00 H 1427 | ATOM 1425 CG LYS A 96 -9.683 18.322 5.309 1.00 0.00 C 1428 | ATOM 1426 HG2 LYS A 96 -9.590 19.186 4.810 1.00 0.00 H 1429 | ATOM 1427 HG3 LYS A 96 -9.207 18.748 4.537 1.00 0.00 H 1430 | ATOM 1428 CD LYS A 96 -10.809 17.299 5.330 1.00 0.00 C 1431 | ATOM 1429 HD2 LYS A 96 -10.222 16.538 5.617 1.00 0.00 H 1432 | ATOM 1430 HD3 LYS A 96 -11.378 17.643 6.080 1.00 0.00 H 1433 | ATOM 1431 CE LYS A 96 -11.415 17.170 3.956 1.00 0.00 C 1434 | ATOM 1432 HE2 LYS A 96 -11.653 18.132 3.816 1.00 0.00 H 1435 | ATOM 1433 HE3 LYS A 96 -10.900 17.104 3.103 1.00 0.00 H 1436 | ATOM 1434 NZ LYS A 96 -12.499 16.213 3.913 1.00 0.00 N 1437 | ATOM 1435 HZ1 LYS A 96 -13.242 15.992 4.520 1.00 0.00 H 1438 | ATOM 1436 HZ2 LYS A 96 -12.667 15.284 4.248 1.00 0.00 H 1439 | ATOM 1437 HZ3 LYS A 96 -13.310 16.026 3.374 1.00 0.00 H 1440 | ATOM 1438 N LYS A 97 -6.619 18.917 8.726 1.00 0.00 N 1441 | ATOM 1439 H LYS A 97 -6.125 18.178 8.265 1.00 0.00 H 1442 | ATOM 1440 CA LYS A 97 -6.150 19.251 10.058 1.00 0.00 C 1443 | ATOM 1441 HA LYS A 97 -6.959 19.464 10.609 1.00 0.00 H 1444 | ATOM 1442 C LYS A 97 -5.175 20.464 10.051 1.00 0.00 C 1445 | ATOM 1443 O LYS A 97 -5.243 21.326 10.923 1.00 0.00 O 1446 | ATOM 1444 CB LYS A 97 -5.482 18.002 10.698 1.00 0.00 C 1447 | ATOM 1445 HB2 LYS A 97 -5.799 17.189 10.209 1.00 0.00 H 1448 | ATOM 1446 HB3 LYS A 97 -4.570 17.720 10.406 1.00 0.00 H 1449 | ATOM 1447 CG LYS A 97 -5.294 18.164 12.162 1.00 0.00 C 1450 | ATOM 1448 HG2 LYS A 97 -4.766 19.012 12.205 1.00 0.00 H 1451 | ATOM 1449 HG3 LYS A 97 -6.208 18.134 12.569 1.00 0.00 H 1452 | ATOM 1450 CD LYS A 97 -4.347 17.163 12.711 1.00 0.00 C 1453 | ATOM 1451 HD2 LYS A 97 -4.133 16.201 12.534 1.00 0.00 H 1454 | ATOM 1452 HD3 LYS A 97 -4.102 16.224 12.464 1.00 0.00 H 1455 | ATOM 1453 CE LYS A 97 -3.813 17.680 14.042 1.00 0.00 C 1456 | ATOM 1454 HE2 LYS A 97 -3.314 18.140 14.779 1.00 0.00 H 1457 | ATOM 1455 HE3 LYS A 97 -2.954 17.171 13.975 1.00 0.00 H 1458 | ATOM 1456 NZ LYS A 97 -4.873 18.330 14.805 1.00 0.00 N 1459 | ATOM 1457 HZ1 LYS A 97 -4.714 19.324 14.738 1.00 0.00 H 1460 | ATOM 1458 HZ2 LYS A 97 -5.812 18.150 14.486 1.00 0.00 H 1461 | ATOM 1459 HZ3 LYS A 97 -4.934 17.811 15.667 1.00 0.00 H 1462 | ATOM 1460 N ILE A 98 -4.265 20.470 9.086 1.00 0.00 N 1463 | ATOM 1461 H ILE A 98 -3.980 19.612 8.656 1.00 0.00 H 1464 | ATOM 1462 CA ILE A 98 -3.256 21.538 9.021 1.00 0.00 C 1465 | ATOM 1463 HA ILE A 98 -2.753 21.698 9.872 1.00 0.00 H 1466 | ATOM 1464 C ILE A 98 -3.938 22.910 8.840 1.00 0.00 C 1467 | ATOM 1465 O ILE A 98 -3.676 23.798 9.547 1.00 0.00 O 1468 | ATOM 1466 CB ILE A 98 -2.234 21.258 7.853 1.00 0.00 C 1469 | ATOM 1467 HB ILE A 98 -2.613 21.244 6.926 1.00 0.00 H 1470 | ATOM 1468 CG1 ILE A 98 -1.537 19.910 8.050 1.00 0.00 C 1471 | ATOM 1469 HG12 ILE A 98 -1.380 18.923 8.131 1.00 0.00 H 1472 | ATOM 1470 HG13 ILE A 98 -1.675 20.247 8.982 1.00 0.00 H 1473 | ATOM 1471 CG2 ILE A 98 -1.276 22.444 7.579 1.00 0.00 C 1474 | ATOM 1472 HG21 ILE A 98 -0.411 22.942 7.503 1.00 0.00 H 1475 | ATOM 1473 HG22 ILE A 98 -0.384 22.886 7.683 1.00 0.00 H 1476 | ATOM 1474 HG23 ILE A 98 -0.578 23.101 7.868 1.00 0.00 H 1477 | ATOM 1475 CD1 ILE A 98 -0.593 19.555 6.873 1.00 0.00 C 1478 | ATOM 1476 HD11 ILE A 98 -1.059 20.278 6.360 1.00 0.00 H 1479 | ATOM 1477 HD12 ILE A 98 -0.077 19.370 6.030 1.00 0.00 H 1480 | ATOM 1478 HD13 ILE A 98 0.036 19.171 7.560 1.00 0.00 H 1481 | ATOM 1479 N VAL A 99 -4.807 23.017 7.860 1.00 0.00 N 1482 | ATOM 1480 H VAL A 99 -4.976 22.125 7.438 1.00 0.00 H 1483 | ATOM 1481 CA VAL A 99 -5.475 24.265 7.582 1.00 0.00 C 1484 | ATOM 1482 HA VAL A 99 -4.760 24.964 7.637 1.00 0.00 H 1485 | ATOM 1483 C VAL A 99 -6.399 24.717 8.715 1.00 0.00 C 1486 | ATOM 1484 O VAL A 99 -6.746 25.835 8.770 1.00 0.00 O 1487 | ATOM 1485 CB VAL A 99 -6.226 24.200 6.228 1.00 0.00 C 1488 | ATOM 1486 HB VAL A 99 -5.552 23.867 5.566 1.00 0.00 H 1489 | ATOM 1487 CG1 VAL A 99 -7.504 23.414 6.341 1.00 0.00 C 1490 | ATOM 1488 HG11 VAL A 99 -7.906 24.072 6.988 1.00 0.00 H 1491 | ATOM 1489 HG12 VAL A 99 -7.149 22.541 6.697 1.00 0.00 H 1492 | ATOM 1490 HG13 VAL A 99 -8.000 23.154 5.507 1.00 0.00 H 1493 | ATOM 1491 CG2 VAL A 99 -6.502 25.575 5.664 1.00 0.00 C 1494 | ATOM 1492 HG21 VAL A 99 -5.671 25.741 5.131 1.00 0.00 H 1495 | ATOM 1493 HG22 VAL A 99 -6.420 25.971 6.582 1.00 0.00 H 1496 | ATOM 1494 HG23 VAL A 99 -7.415 25.602 5.247 1.00 0.00 H 1497 | ATOM 1495 N SER A 100 -6.743 23.814 9.594 1.00 0.00 N 1498 | ATOM 1496 H SER A 100 -6.385 22.883 9.676 1.00 0.00 H 1499 | ATOM 1497 CA SER A 100 -7.538 24.134 10.772 1.00 0.00 C 1500 | ATOM 1498 HA SER A 100 -8.091 24.966 10.714 1.00 0.00 H 1501 | ATOM 1499 C SER A 100 -6.761 24.623 11.993 1.00 0.00 C 1502 | ATOM 1500 O SER A 100 -7.360 24.982 12.964 1.00 0.00 O 1503 | ATOM 1501 CB SER A 100 -8.409 22.937 11.163 1.00 0.00 C 1504 | ATOM 1502 HB2 SER A 100 -7.833 23.067 11.973 1.00 0.00 H 1505 | ATOM 1503 HB3 SER A 100 -9.029 22.280 11.607 1.00 0.00 H 1506 | ATOM 1504 OG SER A 100 -9.201 22.542 10.122 1.00 0.00 O 1507 | ATOM 1505 HG SER A 100 -9.917 23.229 9.988 1.00 0.00 H 1508 | ATOM 1506 N ASP A 101 -5.444 24.627 11.933 1.00 0.00 N 1509 | ATOM 1507 H ASP A 101 -4.956 25.030 11.157 1.00 0.00 H 1510 | ATOM 1508 CA ASP A 101 -4.634 24.670 13.112 1.00 0.00 C 1511 | ATOM 1509 HA ASP A 101 -5.078 24.382 13.962 1.00 0.00 H 1512 | ATOM 1510 C ASP A 101 -4.253 26.097 13.474 1.00 0.00 C 1513 | ATOM 1511 O ASP A 101 -3.509 26.269 14.368 1.00 0.00 O 1514 | ATOM 1512 CB ASP A 101 -3.359 23.787 12.984 1.00 0.00 C 1515 | ATOM 1513 HB2 ASP A 101 -2.366 23.704 12.881 1.00 0.00 H 1516 | ATOM 1514 HB3 ASP A 101 -3.441 23.938 11.997 1.00 0.00 H 1517 | ATOM 1515 CG ASP A 101 -2.719 23.448 14.318 1.00 0.00 C 1518 | ATOM 1516 OD1 ASP A 101 -3.430 23.085 15.255 1.00 0.00 O 1519 | ATOM 1517 OD2 ASP A 101 -1.535 23.501 14.395 1.00 0.00 O 1520 | ATOM 1518 N GLY A 102 -4.798 27.077 12.776 1.00 0.00 N 1521 | ATOM 1519 H GLY A 102 -5.108 27.162 11.828 1.00 0.00 H 1522 | ATOM 1520 CA GLY A 102 -4.730 28.443 13.228 1.00 0.00 C 1523 | ATOM 1521 HA2 GLY A 102 -4.913 28.344 14.209 1.00 0.00 H 1524 | ATOM 1522 HA3 GLY A 102 -4.908 29.191 13.872 1.00 0.00 H 1525 | ATOM 1523 C GLY A 102 -4.257 29.436 12.147 1.00 0.00 C 1526 | ATOM 1524 O GLY A 102 -4.700 30.563 12.145 1.00 0.00 O 1527 | ATOM 1525 N ASN A 103 -3.393 28.972 11.263 1.00 0.00 N 1528 | ATOM 1526 H ASN A 103 -2.812 28.182 11.464 1.00 0.00 H 1529 | ATOM 1527 CA ASN A 103 -2.795 29.820 10.280 1.00 0.00 C 1530 | ATOM 1528 HA ASN A 103 -2.897 30.782 10.537 1.00 0.00 H 1531 | ATOM 1529 C ASN A 103 -3.432 29.638 8.901 1.00 0.00 C 1532 | ATOM 1530 O ASN A 103 -2.982 30.141 7.979 1.00 0.00 O 1533 | ATOM 1531 CB ASN A 103 -1.275 29.621 10.193 1.00 0.00 C 1534 | ATOM 1532 HB2 ASN A 103 -0.607 29.324 9.509 1.00 0.00 H 1535 | ATOM 1533 HB3 ASN A 103 -0.594 29.248 9.561 1.00 0.00 H 1536 | ATOM 1534 CG ASN A 103 -0.549 30.046 11.501 1.00 0.00 C 1537 | ATOM 1535 OD1 ASN A 103 -0.722 31.121 11.968 1.00 0.00 O 1538 | ATOM 1536 ND2 ASN A 103 0.216 29.151 12.076 1.00 0.00 N 1539 | ATOM 1537 HD21 ASN A 103 0.290 29.028 13.067 1.00 0.00 H 1540 | ATOM 1538 HD22 ASN A 103 1.075 28.762 11.739 1.00 0.00 H 1541 | ATOM 1539 N GLY A 104 -4.513 28.916 8.853 1.00 0.00 N 1542 | ATOM 1540 H GLY A 104 -4.876 28.612 9.734 1.00 0.00 H 1543 | ATOM 1541 CA GLY A 104 -5.149 28.672 7.576 1.00 0.00 C 1544 | ATOM 1542 HA2 GLY A 104 -5.695 28.937 6.781 1.00 0.00 H 1545 | ATOM 1543 HA3 GLY A 104 -5.724 29.135 8.252 1.00 0.00 H 1546 | ATOM 1544 C GLY A 104 -4.182 28.137 6.535 1.00 0.00 C 1547 | ATOM 1545 O GLY A 104 -3.339 27.339 6.818 1.00 0.00 O 1548 | ATOM 1546 N MET A 105 -4.321 28.594 5.316 1.00 0.00 N 1549 | ATOM 1547 H MET A 105 -4.738 29.504 5.310 1.00 0.00 H 1550 | ATOM 1548 CA MET A 105 -3.457 28.114 4.260 1.00 0.00 C 1551 | ATOM 1549 HA MET A 105 -3.104 27.218 4.535 1.00 0.00 H 1552 | ATOM 1550 C MET A 105 -2.045 28.769 4.275 1.00 0.00 C 1553 | ATOM 1551 O MET A 105 -1.214 28.385 3.495 1.00 0.00 O 1554 | ATOM 1552 CB MET A 105 -4.170 28.200 2.910 1.00 0.00 C 1555 | ATOM 1553 HB2 MET A 105 -4.165 29.141 3.256 1.00 0.00 H 1556 | ATOM 1554 HB3 MET A 105 -4.019 28.167 1.918 1.00 0.00 H 1557 | ATOM 1555 CG MET A 105 -5.176 27.061 2.698 1.00 0.00 C 1558 | ATOM 1556 HG2 MET A 105 -5.658 27.566 3.413 1.00 0.00 H 1559 | ATOM 1557 HG3 MET A 105 -5.199 26.060 2.729 1.00 0.00 H 1560 | ATOM 1558 SD MET A 105 -5.663 26.904 0.907 1.00 0.00 S 1561 | ATOM 1559 CE MET A 105 -4.120 26.065 0.249 1.00 0.00 C 1562 | ATOM 1560 HE1 MET A 105 -3.532 25.356 -0.146 1.00 0.00 H 1563 | ATOM 1561 HE2 MET A 105 -4.406 25.662 1.129 1.00 0.00 H 1564 | ATOM 1562 HE3 MET A 105 -4.031 26.913 -0.276 1.00 0.00 H 1565 | ATOM 1563 N ASN A 106 -1.800 29.690 5.185 1.00 0.00 N 1566 | ATOM 1564 H ASN A 106 -2.447 30.219 5.736 1.00 0.00 H 1567 | ATOM 1565 CA ASN A 106 -0.474 30.175 5.268 1.00 0.00 C 1568 | ATOM 1566 HA ASN A 106 -0.040 30.571 4.457 1.00 0.00 H 1569 | ATOM 1567 C ASN A 106 0.535 29.098 5.731 1.00 0.00 C 1570 | ATOM 1568 O ASN A 106 1.672 29.332 5.676 1.00 0.00 O 1571 | ATOM 1569 CB ASN A 106 -0.410 31.413 6.190 1.00 0.00 C 1572 | ATOM 1570 HB2 ASN A 106 0.176 31.582 6.984 1.00 0.00 H 1573 | ATOM 1571 HB3 ASN A 106 0.186 31.602 6.972 1.00 0.00 H 1574 | ATOM 1572 CG ASN A 106 -1.204 32.543 5.682 1.00 0.00 C 1575 | ATOM 1573 OD1 ASN A 106 -0.923 33.156 4.734 1.00 0.00 O 1576 | ATOM 1574 ND2 ASN A 106 -2.265 32.782 6.371 1.00 0.00 N 1577 | ATOM 1575 HD21 ASN A 106 -3.231 33.034 6.303 1.00 0.00 H 1578 | ATOM 1576 HD22 ASN A 106 -1.948 32.987 7.297 1.00 0.00 H 1579 | ATOM 1577 N ALA A 107 0.019 27.956 6.165 1.00 0.00 N 1580 | ATOM 1578 H ALA A 107 -0.742 28.135 6.790 1.00 0.00 H 1581 | ATOM 1579 CA ALA A 107 0.860 26.798 6.431 1.00 0.00 C 1582 | ATOM 1580 HA ALA A 107 1.628 27.326 6.796 1.00 0.00 H 1583 | ATOM 1581 C ALA A 107 1.623 26.322 5.184 1.00 0.00 C 1584 | ATOM 1582 O ALA A 107 2.648 25.703 5.292 1.00 0.00 O 1585 | ATOM 1583 CB ALA A 107 0.067 25.674 7.053 1.00 0.00 C 1586 | ATOM 1584 HB1 ALA A 107 0.217 25.205 7.912 1.00 0.00 H 1587 | ATOM 1585 HB2 ALA A 107 0.277 25.197 7.897 1.00 0.00 H 1588 | ATOM 1586 HB3 ALA A 107 -0.774 25.189 7.249 1.00 0.00 H 1589 | ATOM 1587 N TRP A 108 1.101 26.692 4.025 1.00 0.00 N 1590 | ATOM 1588 H TRP A 108 0.379 27.385 4.006 1.00 0.00 H 1591 | ATOM 1589 CA TRP A 108 1.750 26.314 2.776 1.00 0.00 C 1592 | ATOM 1590 HA TRP A 108 2.436 25.610 2.968 1.00 0.00 H 1593 | ATOM 1591 C TRP A 108 2.484 27.546 2.226 1.00 0.00 C 1594 | ATOM 1592 O TRP A 108 1.870 28.455 1.841 1.00 0.00 O 1595 | ATOM 1593 CB TRP A 108 0.732 25.754 1.751 1.00 0.00 C 1596 | ATOM 1594 HB2 TRP A 108 0.419 26.145 0.884 1.00 0.00 H 1597 | ATOM 1595 HB3 TRP A 108 0.799 26.297 0.913 1.00 0.00 H 1598 | ATOM 1596 CG TRP A 108 0.260 24.397 2.078 1.00 0.00 C 1599 | ATOM 1597 CD1 TRP A 108 0.816 23.234 1.692 1.00 0.00 C 1600 | ATOM 1598 HD1 TRP A 108 1.775 23.251 1.406 1.00 0.00 H 1601 | ATOM 1599 CD2 TRP A 108 -0.899 24.035 2.861 1.00 0.00 C 1602 | ATOM 1600 NE1 TRP A 108 0.134 22.170 2.206 1.00 0.00 N 1603 | ATOM 1601 HE1 TRP A 108 0.591 21.307 2.427 1.00 0.00 H 1604 | ATOM 1602 CE2 TRP A 108 -0.924 22.631 2.927 1.00 0.00 C 1605 | ATOM 1603 CE3 TRP A 108 -1.866 24.756 3.561 1.00 0.00 C 1606 | ATOM 1604 HE3 TRP A 108 -1.639 25.730 3.612 1.00 0.00 H 1607 | ATOM 1605 CZ2 TRP A 108 -1.860 21.954 3.662 1.00 0.00 C 1608 | ATOM 1606 HZ2 TRP A 108 -1.474 21.128 4.075 1.00 0.00 H 1609 | ATOM 1607 CZ3 TRP A 108 -2.806 24.084 4.250 1.00 0.00 C 1610 | ATOM 1608 HZ3 TRP A 108 -3.297 24.623 4.936 1.00 0.00 H 1611 | ATOM 1609 CH2 TRP A 108 -2.812 22.688 4.280 1.00 0.00 C 1612 | ATOM 1610 HH2 TRP A 108 -3.387 22.281 4.991 1.00 0.00 H 1613 | ATOM 1611 N VAL A 109 3.785 27.533 2.299 1.00 0.00 N 1614 | ATOM 1612 H VAL A 109 4.317 26.988 2.948 1.00 0.00 H 1615 | ATOM 1613 CA VAL A 109 4.542 28.688 1.911 1.00 0.00 C 1616 | ATOM 1614 HA VAL A 109 4.292 29.463 2.494 1.00 0.00 H 1617 | ATOM 1615 C VAL A 109 4.356 29.062 0.446 1.00 0.00 C 1618 | ATOM 1616 O VAL A 109 4.239 30.202 0.122 1.00 0.00 O 1619 | ATOM 1617 CB VAL A 109 6.065 28.518 2.277 1.00 0.00 C 1620 | ATOM 1618 HB VAL A 109 6.259 28.561 3.259 1.00 0.00 H 1621 | ATOM 1619 CG1 VAL A 109 6.563 27.332 1.724 1.00 0.00 C 1622 | ATOM 1620 HG11 VAL A 109 6.264 26.788 0.937 1.00 0.00 H 1623 | ATOM 1621 HG12 VAL A 109 6.861 26.392 1.545 1.00 0.00 H 1624 | ATOM 1622 HG13 VAL A 109 7.446 27.577 2.130 1.00 0.00 H 1625 | ATOM 1623 CG2 VAL A 109 6.909 29.642 1.735 1.00 0.00 C 1626 | ATOM 1624 HG21 VAL A 109 7.573 30.228 1.264 1.00 0.00 H 1627 | ATOM 1625 HG22 VAL A 109 7.781 29.883 1.301 1.00 0.00 H 1628 | ATOM 1626 HG23 VAL A 109 7.544 30.176 2.307 1.00 0.00 H 1629 | ATOM 1627 N ALA A 110 4.326 28.078 -0.425 1.00 0.00 N 1630 | ATOM 1628 H ALA A 110 4.701 27.296 0.072 1.00 0.00 H 1631 | ATOM 1629 CA ALA A 110 4.116 28.339 -1.830 1.00 0.00 C 1632 | ATOM 1630 HA ALA A 110 4.797 29.065 -1.942 1.00 0.00 H 1633 | ATOM 1631 C ALA A 110 2.750 28.915 -2.053 1.00 0.00 C 1634 | ATOM 1632 O ALA A 110 2.598 29.678 -2.917 1.00 0.00 O 1635 | ATOM 1633 CB ALA A 110 4.287 27.135 -2.682 1.00 0.00 C 1636 | ATOM 1634 HB1 ALA A 110 4.400 26.418 -1.984 1.00 0.00 H 1637 | ATOM 1635 HB2 ALA A 110 3.665 26.569 -3.229 1.00 0.00 H 1638 | ATOM 1636 HB3 ALA A 110 5.061 27.539 -3.187 1.00 0.00 H 1639 | ATOM 1637 N TRP A 111 1.765 28.501 -1.258 1.00 0.00 N 1640 | ATOM 1638 H TRP A 111 1.954 27.732 -0.645 1.00 0.00 H 1641 | ATOM 1639 CA TRP A 111 0.456 29.162 -1.372 1.00 0.00 C 1642 | ATOM 1640 HA TRP A 111 0.298 29.182 -2.361 1.00 0.00 H 1643 | ATOM 1641 C TRP A 111 0.532 30.664 -0.974 1.00 0.00 C 1644 | ATOM 1642 O TRP A 111 0.035 31.523 -1.674 1.00 0.00 O 1645 | ATOM 1643 CB TRP A 111 -0.641 28.421 -0.539 1.00 0.00 C 1646 | ATOM 1644 HB2 TRP A 111 -0.670 28.082 0.403 1.00 0.00 H 1647 | ATOM 1645 HB3 TRP A 111 -0.685 27.568 -0.016 1.00 0.00 H 1648 | ATOM 1646 CG TRP A 111 -2.007 29.127 -0.579 1.00 0.00 C 1649 | ATOM 1647 CD1 TRP A 111 -2.958 28.968 -1.515 1.00 0.00 C 1650 | ATOM 1648 HD1 TRP A 111 -2.916 28.281 -2.242 1.00 0.00 H 1651 | ATOM 1649 CD2 TRP A 111 -2.508 30.127 0.326 1.00 0.00 C 1652 | ATOM 1650 NE1 TRP A 111 -4.010 29.793 -1.257 1.00 0.00 N 1653 | ATOM 1651 HE1 TRP A 111 -4.849 30.173 -1.649 1.00 0.00 H 1654 | ATOM 1652 CE2 TRP A 111 -3.748 30.532 -0.145 1.00 0.00 C 1655 | ATOM 1653 CE3 TRP A 111 -2.004 30.748 1.458 1.00 0.00 C 1656 | ATOM 1654 HE3 TRP A 111 -1.071 30.597 1.789 1.00 0.00 H 1657 | ATOM 1655 CZ2 TRP A 111 -4.510 31.488 0.515 1.00 0.00 C 1658 | ATOM 1656 HZ2 TRP A 111 -5.398 31.884 0.275 1.00 0.00 H 1659 | ATOM 1657 CZ3 TRP A 111 -2.735 31.657 2.095 1.00 0.00 C 1660 | ATOM 1658 HZ3 TRP A 111 -2.383 32.184 2.870 1.00 0.00 H 1661 | ATOM 1659 CH2 TRP A 111 -3.987 32.031 1.645 1.00 0.00 C 1662 | ATOM 1660 HH2 TRP A 111 -4.439 32.758 2.164 1.00 0.00 H 1663 | ATOM 1661 N ARG A 112 1.116 30.976 0.158 1.00 0.00 N 1664 | ATOM 1662 H ARG A 112 1.611 30.367 0.780 1.00 0.00 H 1665 | ATOM 1663 CA ARG A 112 1.165 32.366 0.567 1.00 0.00 C 1666 | ATOM 1664 HA ARG A 112 0.353 32.852 0.893 1.00 0.00 H 1667 | ATOM 1665 C ARG A 112 1.922 33.208 -0.452 1.00 0.00 C 1668 | ATOM 1666 O ARG A 112 1.541 34.292 -0.711 1.00 0.00 O 1669 | ATOM 1667 CB ARG A 112 1.869 32.488 1.953 1.00 0.00 C 1670 | ATOM 1668 HB2 ARG A 112 2.804 32.132 1.943 1.00 0.00 H 1671 | ATOM 1669 HB3 ARG A 112 1.288 32.042 2.634 1.00 0.00 H 1672 | ATOM 1670 CG ARG A 112 2.138 33.912 2.422 1.00 0.00 C 1673 | ATOM 1671 HG2 ARG A 112 1.413 34.590 2.570 1.00 0.00 H 1674 | ATOM 1672 HG3 ARG A 112 2.867 34.194 1.792 1.00 0.00 H 1675 | ATOM 1673 CD ARG A 112 2.595 33.976 3.824 1.00 0.00 C 1676 | ATOM 1674 HD2 ARG A 112 3.076 34.829 4.038 1.00 0.00 H 1677 | ATOM 1675 HD3 ARG A 112 1.813 33.778 4.420 1.00 0.00 H 1678 | ATOM 1676 NE ARG A 112 3.803 33.227 4.060 1.00 0.00 N 1679 | ATOM 1677 HE ARG A 112 3.928 32.606 4.833 1.00 0.00 H 1680 | ATOM 1678 CZ ARG A 112 5.031 33.601 3.718 1.00 0.00 C 1681 | ATOM 1679 NH1 ARG A 112 5.242 34.728 3.016 1.00 0.00 N 1682 | ATOM 1680 HH11 ARG A 112 6.225 34.916 3.004 1.00 0.00 H 1683 | ATOM 1681 HH12 ARG A 112 4.792 35.619 2.943 1.00 0.00 H 1684 | ATOM 1682 NH2 ARG A 112 6.030 32.786 4.040 1.00 0.00 N 1685 | ATOM 1683 HH21 ARG A 112 6.503 33.422 4.654 1.00 0.00 H 1686 | ATOM 1684 HH22 ARG A 112 6.306 31.824 4.008 1.00 0.00 H 1687 | ATOM 1685 N ASN A 113 2.997 32.680 -0.981 1.00 0.00 N 1688 | ATOM 1686 H ASN A 113 3.577 32.025 -0.494 1.00 0.00 H 1689 | ATOM 1687 CA ASN A 113 3.795 33.491 -1.870 1.00 0.00 C 1690 | ATOM 1688 HA ASN A 113 3.784 34.460 -1.617 1.00 0.00 H 1691 | ATOM 1689 C ASN A 113 3.331 33.539 -3.324 1.00 0.00 C 1692 | ATOM 1690 O ASN A 113 3.738 34.401 -3.998 1.00 0.00 O 1693 | ATOM 1691 CB ASN A 113 5.291 33.134 -1.814 1.00 0.00 C 1694 | ATOM 1692 HB2 ASN A 113 5.327 32.494 -2.585 1.00 0.00 H 1695 | ATOM 1693 HB3 ASN A 113 6.108 33.476 -2.278 1.00 0.00 H 1696 | ATOM 1694 CG ASN A 113 5.909 33.476 -0.499 1.00 0.00 C 1697 | ATOM 1695 OD1 ASN A 113 5.558 34.462 0.051 1.00 0.00 O 1698 | ATOM 1696 ND2 ASN A 113 6.869 32.661 -0.021 1.00 0.00 N 1699 | ATOM 1697 HD21 ASN A 113 7.781 32.631 0.392 1.00 0.00 H 1700 | ATOM 1698 HD22 ASN A 113 7.786 32.641 0.380 1.00 0.00 H 1701 | ATOM 1699 N ARG A 114 2.619 32.531 -3.797 1.00 0.00 N 1702 | ATOM 1700 H ARG A 114 2.486 31.863 -3.064 1.00 0.00 H 1703 | ATOM 1701 CA ARG A 114 2.298 32.362 -5.202 1.00 0.00 C 1704 | ATOM 1702 HA ARG A 114 2.502 33.298 -5.489 1.00 0.00 H 1705 | ATOM 1703 C ARG A 114 0.797 32.258 -5.565 1.00 0.00 C 1706 | ATOM 1704 O ARG A 114 0.441 32.476 -6.684 1.00 0.00 O 1707 | ATOM 1705 CB ARG A 114 3.060 31.197 -5.791 1.00 0.00 C 1708 | ATOM 1706 HB2 ARG A 114 2.798 30.811 -6.665 1.00 0.00 H 1709 | ATOM 1707 HB3 ARG A 114 2.741 30.256 -5.818 1.00 0.00 H 1710 | ATOM 1708 CG ARG A 114 4.573 31.219 -5.469 1.00 0.00 C 1711 | ATOM 1709 HG2 ARG A 114 4.637 32.034 -4.888 1.00 0.00 H 1712 | ATOM 1710 HG3 ARG A 114 5.484 31.634 -5.535 1.00 0.00 H 1713 | ATOM 1711 CD ARG A 114 5.300 30.042 -6.069 1.00 0.00 C 1714 | ATOM 1712 HD2 ARG A 114 5.969 29.629 -5.448 1.00 0.00 H 1715 | ATOM 1713 HD3 ARG A 114 5.823 29.527 -5.388 1.00 0.00 H 1716 | ATOM 1714 NE ARG A 114 5.432 30.083 -7.500 1.00 0.00 N 1717 | ATOM 1715 HE ARG A 114 5.221 30.954 -7.946 1.00 0.00 H 1718 | ATOM 1716 CZ ARG A 114 6.197 29.229 -8.149 1.00 0.00 C 1719 | ATOM 1717 NH1 ARG A 114 6.854 28.307 -7.480 1.00 0.00 N 1720 | ATOM 1718 HH11 ARG A 114 7.001 28.259 -6.492 1.00 0.00 H 1721 | ATOM 1719 HH12 ARG A 114 7.680 27.889 -7.861 1.00 0.00 H 1722 | ATOM 1720 NH2 ARG A 114 6.346 29.301 -9.432 1.00 0.00 N 1723 | ATOM 1721 HH21 ARG A 114 6.625 29.434 -10.384 1.00 0.00 H 1724 | ATOM 1722 HH22 ARG A 114 6.570 29.406 -10.402 1.00 0.00 H 1725 | ATOM 1723 N CYS A 115 -0.032 31.953 -4.587 1.00 0.00 N 1726 | ATOM 1724 H CYS A 115 0.398 31.857 -3.688 1.00 0.00 H 1727 | ATOM 1725 CA CYS A 115 -1.465 31.799 -4.806 1.00 0.00 C 1728 | ATOM 1726 HA CYS A 115 -1.477 31.972 -5.791 1.00 0.00 H 1729 | ATOM 1727 C CYS A 115 -2.304 32.819 -4.065 1.00 0.00 C 1730 | ATOM 1728 O CYS A 115 -3.269 33.295 -4.613 1.00 0.00 O 1731 | ATOM 1729 CB CYS A 115 -1.960 30.449 -4.339 1.00 0.00 C 1732 | ATOM 1730 HB2 CYS A 115 -2.632 30.310 -3.610 1.00 0.00 H 1733 | ATOM 1731 HB3 CYS A 115 -2.467 30.403 -3.477 1.00 0.00 H 1734 | ATOM 1732 SG CYS A 115 -1.013 29.051 -5.124 1.00 0.00 S 1735 | ATOM 1733 N LYS A 116 -1.913 33.155 -2.844 1.00 0.00 N 1736 | ATOM 1734 H LYS A 116 -0.952 33.391 -2.692 1.00 0.00 H 1737 | ATOM 1735 CA LYS A 116 -2.720 34.011 -1.984 1.00 0.00 C 1738 | ATOM 1736 HA LYS A 116 -3.613 33.627 -1.745 1.00 0.00 H 1739 | ATOM 1737 C LYS A 116 -2.953 35.352 -2.707 1.00 0.00 C 1740 | ATOM 1738 O LYS A 116 -2.054 35.939 -3.211 1.00 0.00 O 1741 | ATOM 1739 CB LYS A 116 -2.028 34.236 -0.615 1.00 0.00 C 1742 | ATOM 1740 HB2 LYS A 116 -1.069 34.035 -0.411 1.00 0.00 H 1743 | ATOM 1741 HB3 LYS A 116 -1.081 33.994 -0.399 1.00 0.00 H 1744 | ATOM 1742 CG LYS A 116 -2.748 35.101 0.411 1.00 0.00 C 1745 | ATOM 1743 HG2 LYS A 116 -3.515 35.741 0.344 1.00 0.00 H 1746 | ATOM 1744 HG3 LYS A 116 -3.466 35.788 0.287 1.00 0.00 H 1747 | ATOM 1745 CD LYS A 116 -1.911 35.260 1.635 1.00 0.00 C 1748 | ATOM 1746 HD2 LYS A 116 -1.339 34.579 2.092 1.00 0.00 H 1749 | ATOM 1747 HD3 LYS A 116 -1.418 36.091 1.375 1.00 0.00 H 1750 | ATOM 1748 CE LYS A 116 -2.646 35.855 2.827 1.00 0.00 C 1751 | ATOM 1749 HE2 LYS A 116 -3.524 36.206 3.158 1.00 0.00 H 1752 | ATOM 1750 HE3 LYS A 116 -3.416 36.479 2.969 1.00 0.00 H 1753 | ATOM 1751 NZ LYS A 116 -1.733 35.894 4.031 1.00 0.00 N 1754 | ATOM 1752 HZ1 LYS A 116 -1.094 36.227 4.726 1.00 0.00 H 1755 | ATOM 1753 HZ2 LYS A 116 -1.234 36.257 4.819 1.00 0.00 H 1756 | ATOM 1754 HZ3 LYS A 116 -1.224 36.237 4.822 1.00 0.00 H 1757 | ATOM 1755 N GLY A 117 -4.200 35.791 -2.776 1.00 0.00 N 1758 | ATOM 1756 H GLY A 117 -5.010 35.529 -2.249 1.00 0.00 H 1759 | ATOM 1757 CA GLY A 117 -4.457 37.055 -3.392 1.00 0.00 C 1760 | ATOM 1758 HA2 GLY A 117 -3.839 37.338 -2.655 1.00 0.00 H 1761 | ATOM 1759 HA3 GLY A 117 -5.115 37.806 -3.499 1.00 0.00 H 1762 | ATOM 1760 C GLY A 117 -4.618 37.044 -4.895 1.00 0.00 C 1763 | ATOM 1761 O GLY A 117 -4.883 38.072 -5.447 1.00 0.00 O 1764 | ATOM 1762 N THR A 118 -4.346 35.924 -5.540 1.00 0.00 N 1765 | ATOM 1763 H THR A 118 -3.752 35.314 -5.014 1.00 0.00 H 1766 | ATOM 1764 CA THR A 118 -4.334 35.851 -6.994 1.00 0.00 C 1767 | ATOM 1765 HA THR A 118 -4.151 36.781 -7.316 1.00 0.00 H 1768 | ATOM 1766 C THR A 118 -5.661 35.280 -7.492 1.00 0.00 C 1769 | ATOM 1767 O THR A 118 -6.473 34.860 -6.704 1.00 0.00 O 1770 | ATOM 1768 CB THR A 118 -3.178 34.979 -7.570 1.00 0.00 C 1771 | ATOM 1769 HB THR A 118 -3.005 35.056 -8.553 1.00 0.00 H 1772 | ATOM 1770 OG1 THR A 118 -3.423 33.618 -7.303 1.00 0.00 O 1773 | ATOM 1771 HG1 THR A 118 -2.655 33.254 -6.774 1.00 0.00 H 1774 | ATOM 1772 CG2 THR A 118 -1.819 35.386 -7.015 1.00 0.00 C 1775 | ATOM 1773 HG21 THR A 118 -0.991 35.889 -6.760 1.00 0.00 H 1776 | ATOM 1774 HG22 THR A 118 -0.992 35.803 -6.635 1.00 0.00 H 1777 | ATOM 1775 HG23 THR A 118 -0.981 35.903 -6.833 1.00 0.00 H 1778 | ATOM 1776 N ASP A 119 -5.864 35.290 -8.792 1.00 0.00 N 1779 | ATOM 1777 H ASP A 119 -5.266 35.874 -9.343 1.00 0.00 H 1780 | ATOM 1778 CA ASP A 119 -7.068 34.730 -9.357 1.00 0.00 C 1781 | ATOM 1779 HA ASP A 119 -7.801 35.119 -8.798 1.00 0.00 H 1782 | ATOM 1780 C ASP A 119 -7.034 33.175 -9.343 1.00 0.00 C 1783 | ATOM 1781 O ASP A 119 -6.857 32.561 -10.342 1.00 0.00 O 1784 | ATOM 1782 CB ASP A 119 -7.293 35.326 -10.773 1.00 0.00 C 1785 | ATOM 1783 HB2 ASP A 119 -6.678 35.124 -11.541 1.00 0.00 H 1786 | ATOM 1784 HB3 ASP A 119 -7.375 36.272 -10.447 1.00 0.00 H 1787 | ATOM 1785 CG ASP A 119 -8.500 34.764 -11.494 1.00 0.00 C 1788 | ATOM 1786 OD1 ASP A 119 -9.241 34.068 -10.924 1.00 0.00 O 1789 | ATOM 1787 OD2 ASP A 119 -8.649 35.040 -12.651 1.00 0.00 O 1790 | ATOM 1788 N VAL A 120 -7.289 32.573 -8.188 1.00 0.00 N 1791 | ATOM 1789 H VAL A 120 -7.677 33.152 -7.469 1.00 0.00 H 1792 | ATOM 1790 CA VAL A 120 -7.047 31.154 -8.047 1.00 0.00 C 1793 | ATOM 1791 HA VAL A 120 -6.120 31.107 -8.423 1.00 0.00 H 1794 | ATOM 1792 C VAL A 120 -8.157 30.321 -8.759 1.00 0.00 C 1795 | ATOM 1793 O VAL A 120 -7.967 29.193 -9.083 1.00 0.00 O 1796 | ATOM 1794 CB VAL A 120 -6.964 30.716 -6.566 1.00 0.00 C 1797 | ATOM 1795 HB VAL A 120 -6.845 29.725 -6.490 1.00 0.00 H 1798 | ATOM 1796 CG1 VAL A 120 -5.687 31.212 -5.949 1.00 0.00 C 1799 | ATOM 1797 HG11 VAL A 120 -5.255 31.488 -6.804 1.00 0.00 H 1800 | ATOM 1798 HG12 VAL A 120 -5.403 31.295 -4.994 1.00 0.00 H 1801 | ATOM 1799 HG13 VAL A 120 -5.421 31.278 -4.987 1.00 0.00 H 1802 | ATOM 1800 CG2 VAL A 120 -8.150 31.165 -5.835 1.00 0.00 C 1803 | ATOM 1801 HG21 VAL A 120 -9.108 31.158 -6.128 1.00 0.00 H 1804 | ATOM 1802 HG22 VAL A 120 -9.100 31.384 -5.595 1.00 0.00 H 1805 | ATOM 1803 HG23 VAL A 120 -7.418 31.494 -5.222 1.00 0.00 H 1806 | ATOM 1804 N GLN A 121 -9.283 30.950 -9.037 1.00 0.00 N 1807 | ATOM 1805 H GLN A 121 -9.472 31.830 -8.600 1.00 0.00 H 1808 | ATOM 1806 CA GLN A 121 -10.301 30.245 -9.775 1.00 0.00 C 1809 | ATOM 1807 HA GLN A 121 -10.556 29.516 -9.138 1.00 0.00 H 1810 | ATOM 1808 C GLN A 121 -9.848 29.803 -11.172 1.00 0.00 C 1811 | ATOM 1809 O GLN A 121 -10.313 28.837 -11.682 1.00 0.00 O 1812 | ATOM 1810 CB GLN A 121 -11.663 31.009 -9.837 1.00 0.00 C 1813 | ATOM 1811 HB2 GLN A 121 -11.822 31.946 -9.522 1.00 0.00 H 1814 | ATOM 1812 HB3 GLN A 121 -11.826 31.932 -9.484 1.00 0.00 H 1815 | ATOM 1813 CG GLN A 121 -12.817 30.159 -10.436 1.00 0.00 C 1816 | ATOM 1814 HG2 GLN A 121 -12.877 29.325 -9.884 1.00 0.00 H 1817 | ATOM 1815 HG3 GLN A 121 -13.691 30.571 -10.170 1.00 0.00 H 1818 | ATOM 1816 CD GLN A 121 -12.840 30.148 -11.913 1.00 0.00 C 1819 | ATOM 1817 OE1 GLN A 121 -13.430 29.313 -12.509 1.00 0.00 O 1820 | ATOM 1818 NE2 GLN A 121 -12.218 31.107 -12.499 1.00 0.00 N 1821 | ATOM 1819 HE21 GLN A 121 -11.410 31.186 -13.084 1.00 0.00 H 1822 | ATOM 1820 HE22 GLN A 121 -12.590 32.036 -12.466 1.00 0.00 H 1823 | ATOM 1821 N ALA A 122 -8.947 30.528 -11.756 1.00 0.00 N 1824 | ATOM 1822 H ALA A 122 -8.584 31.397 -11.417 1.00 0.00 H 1825 | ATOM 1823 CA ALA A 122 -8.446 30.085 -13.013 1.00 0.00 C 1826 | ATOM 1824 HA ALA A 122 -9.174 30.141 -13.698 1.00 0.00 H 1827 | ATOM 1825 C ALA A 122 -7.816 28.655 -13.025 1.00 0.00 C 1828 | ATOM 1826 O ALA A 122 -7.647 28.024 -14.037 1.00 0.00 O 1829 | ATOM 1827 CB ALA A 122 -7.491 31.105 -13.536 1.00 0.00 C 1830 | ATOM 1828 HB1 ALA A 122 -7.085 31.773 -14.165 1.00 0.00 H 1831 | ATOM 1829 HB2 ALA A 122 -7.021 30.872 -12.680 1.00 0.00 H 1832 | ATOM 1830 HB3 ALA A 122 -7.596 31.546 -14.429 1.00 0.00 H 1833 | ATOM 1831 N TRP A 123 -7.447 28.197 -11.862 1.00 0.00 N 1834 | ATOM 1832 H TRP A 123 -7.177 28.883 -11.185 1.00 0.00 H 1835 | ATOM 1833 CA TRP A 123 -6.835 26.905 -11.772 1.00 0.00 C 1836 | ATOM 1834 HA TRP A 123 -6.054 26.978 -12.395 1.00 0.00 H 1837 | ATOM 1835 C TRP A 123 -7.835 25.774 -11.975 1.00 0.00 C 1838 | ATOM 1836 O TRP A 123 -7.467 24.656 -12.155 1.00 0.00 O 1839 | ATOM 1837 CB TRP A 123 -6.099 26.726 -10.432 1.00 0.00 C 1840 | ATOM 1838 HB2 TRP A 123 -6.441 26.265 -9.612 1.00 0.00 H 1841 | ATOM 1839 HB3 TRP A 123 -6.219 26.239 -9.566 1.00 0.00 H 1842 | ATOM 1840 CG TRP A 123 -4.822 27.455 -10.364 1.00 0.00 C 1843 | ATOM 1841 CD1 TRP A 123 -4.620 28.679 -9.865 1.00 0.00 C 1844 | ATOM 1842 HD1 TRP A 123 -5.142 29.424 -9.448 1.00 0.00 H 1845 | ATOM 1843 CD2 TRP A 123 -3.567 27.016 -10.883 1.00 0.00 C 1846 | ATOM 1844 NE1 TRP A 123 -3.321 29.041 -10.036 1.00 0.00 N 1847 | ATOM 1845 HE1 TRP A 123 -2.858 29.869 -9.716 1.00 0.00 H 1848 | ATOM 1846 CE2 TRP A 123 -2.656 28.035 -10.664 1.00 0.00 C 1849 | ATOM 1847 CE3 TRP A 123 -3.150 25.866 -11.534 1.00 0.00 C 1850 | ATOM 1848 HE3 TRP A 123 -3.594 24.983 -11.690 1.00 0.00 H 1851 | ATOM 1849 CZ2 TRP A 123 -1.345 27.925 -11.032 1.00 0.00 C 1852 | ATOM 1850 HZ2 TRP A 123 -0.742 28.719 -10.945 1.00 0.00 H 1853 | ATOM 1851 CZ3 TRP A 123 -1.875 25.768 -11.909 1.00 0.00 C 1854 | ATOM 1852 HZ3 TRP A 123 -1.442 25.068 -12.480 1.00 0.00 H 1855 | ATOM 1853 CH2 TRP A 123 -0.985 26.794 -11.671 1.00 0.00 C 1856 | ATOM 1854 HH2 TRP A 123 -0.078 26.865 -12.088 1.00 0.00 H 1857 | ATOM 1855 N ILE A 124 -9.107 26.140 -11.957 1.00 0.00 N 1858 | ATOM 1856 H ILE A 124 -9.306 27.025 -11.534 1.00 0.00 H 1859 | ATOM 1857 CA ILE A 124 -10.136 25.169 -12.259 1.00 0.00 C 1860 | ATOM 1858 HA ILE A 124 -9.703 24.291 -12.466 1.00 0.00 H 1861 | ATOM 1859 C ILE A 124 -10.882 25.463 -13.539 1.00 0.00 C 1862 | ATOM 1860 O ILE A 124 -11.865 24.861 -13.798 1.00 0.00 O 1863 | ATOM 1861 CB ILE A 124 -11.061 24.807 -11.056 1.00 0.00 C 1864 | ATOM 1862 HB ILE A 124 -11.802 24.224 -11.394 1.00 0.00 H 1865 | ATOM 1863 CG1 ILE A 124 -11.763 26.024 -10.507 1.00 0.00 C 1866 | ATOM 1864 HG12 ILE A 124 -12.073 26.984 -10.454 1.00 0.00 H 1867 | ATOM 1865 HG13 ILE A 124 -11.210 26.509 -11.189 1.00 0.00 H 1868 | ATOM 1866 CG2 ILE A 124 -10.214 24.216 -9.906 1.00 0.00 C 1869 | ATOM 1867 HG21 ILE A 124 -10.781 24.851 -9.365 1.00 0.00 H 1870 | ATOM 1868 HG22 ILE A 124 -9.285 23.843 -9.859 1.00 0.00 H 1871 | ATOM 1869 HG23 ILE A 124 -9.522 23.509 -9.750 1.00 0.00 H 1872 | ATOM 1870 CD1 ILE A 124 -12.777 25.713 -9.408 1.00 0.00 C 1873 | ATOM 1871 HD11 ILE A 124 -12.583 24.754 -9.165 1.00 0.00 H 1874 | ATOM 1872 HD12 ILE A 124 -13.751 25.700 -9.651 1.00 0.00 H 1875 | ATOM 1873 HD13 ILE A 124 -12.540 26.405 -8.710 1.00 0.00 H 1876 | ATOM 1874 N ARG A 125 -10.319 26.309 -14.367 1.00 0.00 N 1877 | ATOM 1875 H ARG A 125 -9.624 26.991 -14.137 1.00 0.00 H 1878 | ATOM 1876 CA ARG A 125 -10.969 26.620 -15.648 1.00 0.00 C 1879 | ATOM 1877 HA ARG A 125 -11.847 27.023 -15.386 1.00 0.00 H 1880 | ATOM 1878 C ARG A 125 -11.080 25.317 -16.427 1.00 0.00 C 1881 | ATOM 1879 O ARG A 125 -10.147 24.588 -16.502 1.00 0.00 O 1882 | ATOM 1880 CB ARG A 125 -10.208 27.718 -16.409 1.00 0.00 C 1883 | ATOM 1881 HB2 ARG A 125 -9.967 28.550 -15.904 1.00 0.00 H 1884 | ATOM 1882 HB3 ARG A 125 -10.864 28.238 -16.962 1.00 0.00 H 1885 | ATOM 1883 CG ARG A 125 -9.001 27.310 -17.180 1.00 0.00 C 1886 | ATOM 1884 HG2 ARG A 125 -9.061 26.356 -16.884 1.00 0.00 H 1887 | ATOM 1885 HG3 ARG A 125 -8.767 27.316 -18.153 1.00 0.00 H 1888 | ATOM 1886 CD ARG A 125 -7.912 28.389 -17.318 1.00 0.00 C 1889 | ATOM 1887 HD2 ARG A 125 -7.869 29.383 -17.208 1.00 0.00 H 1890 | ATOM 1888 HD3 ARG A 125 -7.792 29.341 -17.031 1.00 0.00 H 1891 | ATOM 1889 NE ARG A 125 -6.758 27.828 -18.005 1.00 0.00 N 1892 | ATOM 1890 HE ARG A 125 -6.540 28.185 -18.915 1.00 0.00 H 1893 | ATOM 1891 CZ ARG A 125 -5.681 27.338 -17.439 1.00 0.00 C 1894 | ATOM 1892 NH1 ARG A 125 -5.545 27.334 -16.120 1.00 0.00 N 1895 | ATOM 1893 HH11 ARG A 125 -4.581 27.601 -16.092 1.00 0.00 H 1896 | ATOM 1894 HH12 ARG A 125 -6.045 27.472 -15.265 1.00 0.00 H 1897 | ATOM 1895 NH2 ARG A 125 -4.717 26.819 -18.173 1.00 0.00 N 1898 | ATOM 1896 HH21 ARG A 125 -4.104 26.651 -18.949 1.00 0.00 H 1899 | ATOM 1897 HH22 ARG A 125 -3.724 26.683 -18.135 1.00 0.00 H 1900 | ATOM 1898 N GLY A 126 -12.233 25.087 -17.027 1.00 0.00 N 1901 | ATOM 1899 H GLY A 126 -13.012 25.716 -17.007 1.00 0.00 H 1902 | ATOM 1900 CA GLY A 126 -12.348 24.002 -17.960 1.00 0.00 C 1903 | ATOM 1901 HA2 GLY A 126 -11.444 23.680 -18.250 1.00 0.00 H 1904 | ATOM 1902 HA3 GLY A 126 -12.964 24.418 -18.634 1.00 0.00 H 1905 | ATOM 1903 C GLY A 126 -12.641 22.654 -17.327 1.00 0.00 C 1906 | ATOM 1904 O GLY A 126 -12.877 21.703 -18.030 1.00 0.00 O 1907 | ATOM 1905 N CYS A 127 -12.641 22.587 -16.011 1.00 0.00 N 1908 | ATOM 1906 H CYS A 127 -12.517 23.403 -15.444 1.00 0.00 H 1909 | ATOM 1907 CA CYS A 127 -12.809 21.329 -15.299 1.00 0.00 C 1910 | ATOM 1908 HA CYS A 127 -12.279 20.648 -15.807 1.00 0.00 H 1911 | ATOM 1909 C CYS A 127 -14.309 21.045 -15.178 1.00 0.00 C 1912 | ATOM 1910 O CYS A 127 -15.032 21.948 -14.857 1.00 0.00 O 1913 | ATOM 1911 CB CYS A 127 -12.198 21.424 -13.925 1.00 0.00 C 1914 | ATOM 1912 HB2 CYS A 127 -12.776 20.736 -13.478 1.00 0.00 H 1915 | ATOM 1913 HB3 CYS A 127 -11.910 22.256 -13.443 1.00 0.00 H 1916 | ATOM 1914 SG CYS A 127 -10.334 21.745 -13.949 1.00 0.00 S 1917 | ATOM 1915 N ARG A 128 -14.722 19.805 -15.402 1.00 0.00 N 1918 | ATOM 1916 H ARG A 128 -13.998 19.141 -15.596 1.00 0.00 H 1919 | ATOM 1917 CA ARG A 128 -16.051 19.305 -15.090 1.00 0.00 C 1920 | ATOM 1918 HA ARG A 128 -16.617 20.129 -15.047 1.00 0.00 H 1921 | ATOM 1919 C ARG A 128 -16.243 18.754 -13.673 1.00 0.00 C 1922 | ATOM 1920 O ARG A 128 -15.880 17.651 -13.400 1.00 0.00 O 1923 | ATOM 1921 CB ARG A 128 -16.433 18.219 -16.087 1.00 0.00 C 1924 | ATOM 1922 HB2 ARG A 128 -16.683 17.251 -16.165 1.00 0.00 H 1925 | ATOM 1923 HB3 ARG A 128 -15.658 17.703 -15.714 1.00 0.00 H 1926 | ATOM 1924 CG ARG A 128 -17.120 18.729 -17.262 1.00 0.00 C 1927 | ATOM 1925 HG2 ARG A 128 -17.167 19.207 -18.143 1.00 0.00 H 1928 | ATOM 1926 HG3 ARG A 128 -17.272 19.466 -16.604 1.00 0.00 H 1929 | ATOM 1927 CD ARG A 128 -17.392 17.601 -18.235 1.00 0.00 C 1930 | ATOM 1928 HD2 ARG A 128 -16.621 17.300 -18.798 1.00 0.00 H 1931 | ATOM 1929 HD3 ARG A 128 -16.630 17.248 -18.780 1.00 0.00 H 1932 | ATOM 1930 NE ARG A 128 -18.789 17.240 -18.353 1.00 0.00 N 1933 | ATOM 1931 HE ARG A 128 -19.042 16.746 -17.520 1.00 0.00 H 1934 | ATOM 1932 CZ ARG A 128 -19.667 17.736 -19.226 1.00 0.00 C 1935 | ATOM 1933 NH1 ARG A 128 -19.347 18.699 -20.062 1.00 0.00 N 1936 | ATOM 1934 HH11 ARG A 128 -19.286 18.797 -21.057 1.00 0.00 H 1937 | ATOM 1935 HH12 ARG A 128 -18.987 19.577 -19.742 1.00 0.00 H 1938 | ATOM 1936 NH2 ARG A 128 -20.902 17.281 -19.217 1.00 0.00 N 1939 | ATOM 1937 HH21 ARG A 128 -21.627 17.527 -19.866 1.00 0.00 H 1940 | ATOM 1938 HH22 ARG A 128 -21.090 16.854 -18.328 1.00 0.00 H 1941 | ATOM 1939 N LEU A 129 -16.755 19.526 -12.735 1.00 0.00 N 1942 | ATOM 1940 H LEU A 129 -17.158 20.429 -12.891 1.00 0.00 H 1943 | ATOM 1941 CA LEU A 129 -16.673 19.206 -11.302 1.00 0.00 C 1944 | ATOM 1942 HA LEU A 129 -16.153 18.351 -11.281 1.00 0.00 H 1945 | ATOM 1943 C LEU A 129 -18.010 18.861 -10.602 1.00 0.00 C 1946 | ATOM 1944 O LEU A 129 -19.004 19.411 -10.986 1.00 0.00 O 1947 | ATOM 1945 CB LEU A 129 -16.012 20.371 -10.559 1.00 0.00 C 1948 | ATOM 1946 HB2 LEU A 129 -16.535 21.082 -10.087 1.00 0.00 H 1949 | ATOM 1947 HB3 LEU A 129 -16.512 21.130 -10.138 1.00 0.00 H 1950 | ATOM 1948 CG LEU A 129 -14.567 20.437 -10.974 1.00 0.00 C 1951 | ATOM 1949 HG LEU A 129 -14.377 20.475 -11.956 1.00 0.00 H 1952 | ATOM 1950 CD1 LEU A 129 -13.951 21.776 -10.524 1.00 0.00 C 1953 | ATOM 1951 HD11 LEU A 129 -13.103 22.267 -10.311 1.00 0.00 H 1954 | ATOM 1952 HD12 LEU A 129 -14.709 22.382 -10.253 1.00 0.00 H 1955 | ATOM 1953 HD13 LEU A 129 -13.218 22.441 -10.358 1.00 0.00 H 1956 | ATOM 1954 CD2 LEU A 129 -13.940 19.313 -10.259 1.00 0.00 C 1957 | ATOM 1955 HD21 LEU A 129 -14.529 18.824 -9.612 1.00 0.00 H 1958 | ATOM 1956 HD22 LEU A 129 -13.759 18.739 -11.072 1.00 0.00 H 1959 | ATOM 1957 HD23 LEU A 129 -13.212 19.855 -9.832 1.00 0.00 H 1960 | ATOM 1958 OXT LEU A 129 -17.399 18.100 -9.896 1.00 0.00 O 1961 | TER 1959 LEU A 129 1962 | CONECT 101 1914 1963 | CONECT 471 1732 1964 | CONECT 991 1218 1965 | CONECT 1161 1405 1966 | CONECT 1218 991 1967 | CONECT 1405 1161 1968 | CONECT 1732 471 1969 | CONECT 1914 101 1970 | END 1971 | -------------------------------------------------------------------------------- /assets/3WVY_trajectory.dcd: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/cing/HackingStructBiolTalk/d58a716f9557eb89c92f395d7764e7f4a5ab7e64/assets/3WVY_trajectory.dcd -------------------------------------------------------------------------------- /assets/LysozymeCartoon.tga: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/cing/HackingStructBiolTalk/d58a716f9557eb89c92f395d7764e7f4a5ab7e64/assets/LysozymeCartoon.tga -------------------------------------------------------------------------------- /assets/LysozymeLicorice.tga: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/cing/HackingStructBiolTalk/d58a716f9557eb89c92f395d7764e7f4a5ab7e64/assets/LysozymeLicorice.tga -------------------------------------------------------------------------------- /assets/LysozymeRock.gif: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/cing/HackingStructBiolTalk/d58a716f9557eb89c92f395d7764e7f4a5ab7e64/assets/LysozymeRock.gif -------------------------------------------------------------------------------- /assets/LysozymeSequence.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/cing/HackingStructBiolTalk/d58a716f9557eb89c92f395d7764e7f4a5ab7e64/assets/LysozymeSequence.png -------------------------------------------------------------------------------- /assets/LysozymeStructure.gif: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/cing/HackingStructBiolTalk/d58a716f9557eb89c92f395d7764e7f4a5ab7e64/assets/LysozymeStructure.gif -------------------------------------------------------------------------------- /assets/LysozymeStructure.vcr: -------------------------------------------------------------------------------- 1 | #This file contains viewpoints for the VMD viewchangerender plugin. 2 | #Type 'source /Users/cing/Code/PandasMD/assets/LysozymeStructure.vcr' from the VMD command window to load these viewpoints. 3 | 4 | proc viewchangerender_restore_my_state {} { 5 | variable ::VCR::viewpoints 6 | 7 | set ::VCR::viewpoints(1,3) { {{1 0 0 0.19} {0 1 0 -0.02} {0 0 1 0} {0 0 0 1}} } 8 | set ::VCR::viewpoints(2,2) { {{0.0615635 0 0 0} {0 0.0615635 0 0} {0 0 0.0615635 0} {0 0 0 1}} } 9 | set ::VCR::viewpoints(1,4) { 0 } 10 | set ::VCR::viewpoints(2,3) { {{1 0 0 0.19} {0 1 0 -0.02} {0 0 1 0} {0 0 0 1}} } 11 | set ::VCR::viewpoints(2,4) { 0 } 12 | set ::VCR::viewpoints(1,0) { {{0.287077 0.722666 0.628763 0} {0.721672 -0.594799 0.35413 0} {0.629903 0.352097 -0.692282 0} {0 0 0 1}} } 13 | set ::VCR::viewpoints(1,1) { {{1 0 0 0.342298} {0 1 0 -21.5455} {0 0 1 -0.531687} {0 0 0 1}} } 14 | set ::VCR::viewpoints(2,0) { {{0.563568 0.801895 0.198384 0} {0.721672 -0.594799 0.35413 0} {0.401974 -0.0564082 -0.913915 0} {0 0 0 1}} } 15 | set ::VCR::viewpoints(1,2) { {{0.0615635 0 0 0} {0 0.0615635 0 0} {0 0 0.0615635 0} {0 0 0 1}} } 16 | set ::VCR::viewpoints(2,1) { {{1 0 0 0.342298} {0 1 0 -21.5455} {0 0 1 -0.531687} {0 0 0 1}} } 17 | set ::VCR::representations(1,3WVY_fix.pdb) [list NewCartoon_0.300000_10.000000_4.100000_0-protein-Structure-Opaque Licorice_0.300000_12.000000_12.000000-not_protein_and_not_ions_and_not_water-Name-Opaque ] 18 | set ::VCR::representations(2,3WVY_fix.pdb) [list NewCartoon_0.300000_10.000000_4.100000_0-protein-Structure-Opaque Licorice_0.300000_12.000000_12.000000-not_protein_and_not_ions_and_not_water-Name-Opaque ] 19 | set ::VCR::movieList "1 2 1" 20 | set ::VCR::movieTimeList "0.5 0.5 0.0" 21 | set ::VCR::movieTime 1.0 22 | set ::VCR::movieDuration 4.00 23 | ::VCR::calctimescale 0 24 | global PrevScreenSize 25 | set PrevScreenSize [display get size] 26 | proc RestoreScreenSize {} { global PrevScreenSize; display resize [lindex $PrevScreenSize 0] [lindex $PrevScreenSize 1] } 27 | display resize 300 300 28 | if { [parallel noderank] == 0 } { 29 | puts "Loaded viewchangerender viewpoints file /Users/cing/Code/PandasMD/assets/LysozymeStructure.vcr " 30 | puts "Note: The screen size has been changed to that stored in the viewpoints file." 31 | puts "To restore it to its previous size type this into the Tcl console:\n RestoreScreenSize" 32 | } 33 | return 34 | } 35 | 36 | 37 | viewchangerender_restore_my_state 38 | 39 | 40 | -------------------------------------------------------------------------------- /assets/LysozymeStructure.vmd: -------------------------------------------------------------------------------- 1 | #!/usr/local/bin/vmd 2 | # VMD script written by save_state $Revision: 1.47 $ 3 | # VMD version: 1.9.2 4 | set viewplist {} 5 | set fixedlist {} 6 | proc vmdrestoremymaterials {} { 7 | set mlist { Opaque Transparent BrushedMetal Diffuse Ghost Glass1 Glass2 Glass3 Glossy HardPlastic MetallicPastel Steel Translucent Edgy EdgyShiny EdgyGlass Goodsell AOShiny AOChalky AOEdgy BlownGlass GlassBubble RTChrome } 8 | set mymlist [material list] 9 | foreach mat $mlist { 10 | if { [lsearch $mymlist $mat] == -1 } { 11 | material add $mat 12 | } 13 | } 14 | material change ambient Opaque 0.000000 15 | material change diffuse Opaque 0.650000 16 | material change specular Opaque 0.500000 17 | material change shininess Opaque 0.534020 18 | material change mirror Opaque 0.000000 19 | material change opacity Opaque 1.000000 20 | material change outline Opaque 0.000000 21 | material change outlinewidth Opaque 0.000000 22 | material change transmode Opaque 0.000000 23 | material change ambient Transparent 0.000000 24 | material change diffuse Transparent 0.650000 25 | material change specular Transparent 0.500000 26 | material change shininess Transparent 0.534020 27 | material change mirror Transparent 0.000000 28 | material change opacity Transparent 0.300000 29 | material change outline Transparent 0.000000 30 | material change outlinewidth Transparent 0.000000 31 | material change transmode Transparent 0.000000 32 | material change ambient BrushedMetal 0.080000 33 | material change diffuse BrushedMetal 0.390000 34 | material change specular BrushedMetal 0.340000 35 | material change shininess BrushedMetal 0.150000 36 | material change mirror BrushedMetal 0.000000 37 | material change opacity BrushedMetal 1.000000 38 | material change outline BrushedMetal 0.000000 39 | material change outlinewidth BrushedMetal 0.000000 40 | material change transmode BrushedMetal 0.000000 41 | material change ambient Diffuse 0.000000 42 | material change diffuse Diffuse 0.620000 43 | material change specular Diffuse 0.000000 44 | material change shininess Diffuse 0.530000 45 | material change mirror Diffuse 0.000000 46 | material change opacity Diffuse 1.000000 47 | material change outline Diffuse 0.000000 48 | material change outlinewidth Diffuse 0.000000 49 | material change transmode Diffuse 0.000000 50 | material change ambient Ghost 0.000000 51 | material change diffuse Ghost 0.000000 52 | material change specular Ghost 1.000000 53 | material change shininess Ghost 0.230000 54 | material change mirror Ghost 0.000000 55 | material change opacity Ghost 0.100000 56 | material change outline Ghost 0.000000 57 | material change outlinewidth Ghost 0.000000 58 | material change transmode Ghost 0.000000 59 | material change ambient Glass1 0.000000 60 | material change diffuse Glass1 0.500000 61 | material change specular Glass1 0.650000 62 | material change shininess Glass1 0.530000 63 | material change mirror Glass1 0.000000 64 | material change opacity Glass1 0.150000 65 | material change outline Glass1 0.000000 66 | material change outlinewidth Glass1 0.000000 67 | material change transmode Glass1 0.000000 68 | material change ambient Glass2 0.520000 69 | material change diffuse Glass2 0.760000 70 | material change specular Glass2 0.220000 71 | material change shininess Glass2 0.590000 72 | material change mirror Glass2 0.000000 73 | material change opacity Glass2 0.680000 74 | material change outline Glass2 0.000000 75 | material change outlinewidth Glass2 0.000000 76 | material change transmode Glass2 0.000000 77 | material change ambient Glass3 0.150000 78 | material change diffuse Glass3 0.250000 79 | material change specular Glass3 0.750000 80 | material change shininess Glass3 0.800000 81 | material change mirror Glass3 0.000000 82 | material change opacity Glass3 0.500000 83 | material change outline Glass3 0.000000 84 | material change outlinewidth Glass3 0.000000 85 | material change transmode Glass3 0.000000 86 | material change ambient Glossy 0.000000 87 | material change diffuse Glossy 0.650000 88 | material change specular Glossy 1.000000 89 | material change shininess Glossy 0.880000 90 | material change mirror Glossy 0.000000 91 | material change opacity Glossy 1.000000 92 | material change outline Glossy 0.000000 93 | material change outlinewidth Glossy 0.000000 94 | material change transmode Glossy 0.000000 95 | material change ambient HardPlastic 0.000000 96 | material change diffuse HardPlastic 0.560000 97 | material change specular HardPlastic 0.280000 98 | material change shininess HardPlastic 0.690000 99 | material change mirror HardPlastic 0.000000 100 | material change opacity HardPlastic 1.000000 101 | material change outline HardPlastic 0.000000 102 | material change outlinewidth HardPlastic 0.000000 103 | material change transmode HardPlastic 0.000000 104 | material change ambient MetallicPastel 0.000000 105 | material change diffuse MetallicPastel 0.260000 106 | material change specular MetallicPastel 0.550000 107 | material change shininess MetallicPastel 0.190000 108 | material change mirror MetallicPastel 0.000000 109 | material change opacity MetallicPastel 1.000000 110 | material change outline MetallicPastel 0.000000 111 | material change outlinewidth MetallicPastel 0.000000 112 | material change transmode MetallicPastel 0.000000 113 | material change ambient Steel 0.250000 114 | material change diffuse Steel 0.000000 115 | material change specular Steel 0.380000 116 | material change shininess Steel 0.320000 117 | material change mirror Steel 0.000000 118 | material change opacity Steel 1.000000 119 | material change outline Steel 0.000000 120 | material change outlinewidth Steel 0.000000 121 | material change transmode Steel 0.000000 122 | material change ambient Translucent 0.000000 123 | material change diffuse Translucent 0.700000 124 | material change specular Translucent 0.600000 125 | material change shininess Translucent 0.300000 126 | material change mirror Translucent 0.000000 127 | material change opacity Translucent 0.800000 128 | material change outline Translucent 0.000000 129 | material change outlinewidth Translucent 0.000000 130 | material change transmode Translucent 0.000000 131 | material change ambient Edgy 0.000000 132 | material change diffuse Edgy 0.660000 133 | material change specular Edgy 0.000000 134 | material change shininess Edgy 0.750000 135 | material change mirror Edgy 0.000000 136 | material change opacity Edgy 1.000000 137 | material change outline Edgy 0.620000 138 | material change outlinewidth Edgy 0.940000 139 | material change transmode Edgy 0.000000 140 | material change ambient EdgyShiny 0.000000 141 | material change diffuse EdgyShiny 0.660000 142 | material change specular EdgyShiny 0.960000 143 | material change shininess EdgyShiny 0.750000 144 | material change mirror EdgyShiny 0.000000 145 | material change opacity EdgyShiny 1.000000 146 | material change outline EdgyShiny 0.760000 147 | material change outlinewidth EdgyShiny 0.940000 148 | material change transmode EdgyShiny 0.000000 149 | material change ambient EdgyGlass 0.000000 150 | material change diffuse EdgyGlass 0.660000 151 | material change specular EdgyGlass 0.500000 152 | material change shininess EdgyGlass 0.750000 153 | material change mirror EdgyGlass 0.000000 154 | material change opacity EdgyGlass 0.620000 155 | material change outline EdgyGlass 0.620000 156 | material change outlinewidth EdgyGlass 0.940000 157 | material change transmode EdgyGlass 0.000000 158 | material change ambient Goodsell 0.520000 159 | material change diffuse Goodsell 1.000000 160 | material change specular Goodsell 0.000000 161 | material change shininess Goodsell 0.000000 162 | material change mirror Goodsell 0.000000 163 | material change opacity Goodsell 1.000000 164 | material change outline Goodsell 4.000000 165 | material change outlinewidth Goodsell 0.900000 166 | material change transmode Goodsell 0.000000 167 | material change ambient AOShiny 0.000000 168 | material change diffuse AOShiny 0.850000 169 | material change specular AOShiny 0.200000 170 | material change shininess AOShiny 0.530000 171 | material change mirror AOShiny 0.000000 172 | material change opacity AOShiny 1.000000 173 | material change outline AOShiny 0.000000 174 | material change outlinewidth AOShiny 0.000000 175 | material change transmode AOShiny 0.000000 176 | material change ambient AOChalky 0.000000 177 | material change diffuse AOChalky 0.850000 178 | material change specular AOChalky 0.000000 179 | material change shininess AOChalky 0.530000 180 | material change mirror AOChalky 0.000000 181 | material change opacity AOChalky 1.000000 182 | material change outline AOChalky 0.000000 183 | material change outlinewidth AOChalky 0.000000 184 | material change transmode AOChalky 0.000000 185 | material change ambient AOEdgy 0.000000 186 | material change diffuse AOEdgy 0.900000 187 | material change specular AOEdgy 0.200000 188 | material change shininess AOEdgy 0.530000 189 | material change mirror AOEdgy 0.000000 190 | material change opacity AOEdgy 1.000000 191 | material change outline AOEdgy 0.620000 192 | material change outlinewidth AOEdgy 0.930000 193 | material change transmode AOEdgy 0.000000 194 | material change ambient BlownGlass 0.040000 195 | material change diffuse BlownGlass 0.340000 196 | material change specular BlownGlass 1.000000 197 | material change shininess BlownGlass 1.000000 198 | material change mirror BlownGlass 0.000000 199 | material change opacity BlownGlass 0.100000 200 | material change outline BlownGlass 0.000000 201 | material change outlinewidth BlownGlass 0.000000 202 | material change transmode BlownGlass 1.000000 203 | material change ambient GlassBubble 0.250000 204 | material change diffuse GlassBubble 0.340000 205 | material change specular GlassBubble 1.000000 206 | material change shininess GlassBubble 1.000000 207 | material change mirror GlassBubble 0.000000 208 | material change opacity GlassBubble 0.040000 209 | material change outline GlassBubble 0.000000 210 | material change outlinewidth GlassBubble 0.000000 211 | material change transmode GlassBubble 1.000000 212 | material change ambient RTChrome 0.000000 213 | material change diffuse RTChrome 0.650000 214 | material change specular RTChrome 0.500000 215 | material change shininess RTChrome 0.530000 216 | material change mirror RTChrome 0.700000 217 | material change opacity RTChrome 1.000000 218 | material change outline RTChrome 0.000000 219 | material change outlinewidth RTChrome 0.000000 220 | material change transmode RTChrome 0.000000 221 | } 222 | vmdrestoremymaterials 223 | # Atom selection macros 224 | atomselect macro at {resname ADE A THY T 225 | } 226 | atomselect macro acidic {resname ASP GLU 227 | } 228 | atomselect macro cyclic {resname HIS PHE PRO TRP TYR 229 | } 230 | atomselect macro acyclic {protein and not cyclic 231 | } 232 | atomselect macro aliphatic {resname ALA GLY ILE LEU VAL 233 | } 234 | atomselect macro alpha {protein and name CA 235 | } 236 | atomselect macro amino {protein 237 | } 238 | atomselect macro aromatic {resname HIS PHE TRP TYR 239 | } 240 | atomselect macro basic {resname ARG HIS LYS HSP 241 | } 242 | atomselect macro bonded {numbonds > 0 243 | } 244 | atomselect macro buried {resname ALA LEU VAL ILE PHE CYS MET TRP 245 | } 246 | atomselect macro cg {resname CYT C GUA G 247 | } 248 | atomselect macro charged {basic or acidic 249 | } 250 | atomselect macro hetero {not (protein or nucleic) 251 | } 252 | atomselect macro hydrophobic {resname ALA LEU VAL ILE PRO PHE MET TRP 253 | } 254 | atomselect macro small {resname ALA GLY SER 255 | } 256 | atomselect macro medium {resname VAL THR ASP ASN PRO CYS ASX PCA HYP 257 | } 258 | atomselect macro large {protein and not (small or medium) 259 | } 260 | atomselect macro neutral {resname VAL PHE GLN TYR HIS CYS MET TRP ASX GLX PCA HYP 261 | } 262 | atomselect macro polar {protein and not hydrophobic 263 | } 264 | atomselect macro purine {resname ADE A GUA G 265 | } 266 | atomselect macro pyrimidine {resname CYT C THY T URA U 267 | } 268 | atomselect macro surface {protein and not buried 269 | } 270 | atomselect macro lipid {resname DLPE DMPC DPPC GPC LPPC PALM PC PGCL POPC POPE 271 | } 272 | atomselect macro lipids {lipid 273 | } 274 | atomselect macro ion {resname AL BA CA CAL CD CES CLA CL CO CS CU CU1 CUA HG IN IOD K MG MN3 MO3 MO4 MO5 MO6 NA NAW OC7 PB POT PT RB SOD TB TL WO4 YB ZN ZN1 ZN2 275 | } 276 | atomselect macro ions {ion 277 | } 278 | atomselect macro sugar {resname AGLC 279 | } 280 | atomselect macro solvent {not (protein or sugar or nucleic or lipid) 281 | } 282 | atomselect macro carbon {name "C.*" and not ion 283 | } 284 | atomselect macro hydrogen {name "[0-9]?H.*" 285 | } 286 | atomselect macro nitrogen {name "N.*" 287 | } 288 | atomselect macro oxygen {name "O.*" 289 | } 290 | atomselect macro sulfur {name "S.*" and not ion 291 | } 292 | atomselect macro noh {not hydrogen 293 | } 294 | atomselect macro heme {resname HEM HEME 295 | } 296 | atomselect macro conformationall {altloc "" 297 | } 298 | atomselect macro conformationA {altloc "" or altloc "A" 299 | } 300 | atomselect macro conformationB {altloc "" or altloc "B" 301 | } 302 | atomselect macro conformationC {altloc "" or altloc "C" 303 | } 304 | atomselect macro conformationD {altloc "" or altloc "D" 305 | } 306 | atomselect macro conformationE {altloc "" or altloc "E" 307 | } 308 | atomselect macro conformationF {altloc "" or altloc "F" 309 | } 310 | atomselect macro drude {type DRUD or type LP 311 | } 312 | atomselect macro unparametrized beta<1 313 | atomselect macro addedmolefacture {occupancy 0.8} 314 | # Display settings 315 | display eyesep 0.065000 316 | display focallength 2.000000 317 | display height 6.000000 318 | display distance -2.000000 319 | display projection Orthographic 320 | display nearclip set 0.500000 321 | display farclip set 10.000000 322 | display depthcue on 323 | display cuestart 0.500000 324 | display cueend 10.000000 325 | display cuestart 0.500000 326 | display cueend 10.000000 327 | display cuedensity 0.320000 328 | display cuemode Exp2 329 | display shadows on 330 | display ambientocclusion on 331 | display aoambient 0.800000 332 | display aodirect 0.300000 333 | display dof off 334 | display dof_fnumber 64.000000 335 | display dof_focaldist 0.700000 336 | mol new /Users/cing/Downloads/3WVY_fix.pdb type pdb first 0 last -1 step 1 filebonds 1 autobonds 1 waitfor all 337 | mol delrep 0 top 338 | mol representation NewCartoon 0.300000 10.000000 4.100000 0 339 | mol color Structure 340 | mol selection {protein} 341 | mol material Opaque 342 | mol addrep top 343 | mol selupdate 0 top 0 344 | mol colupdate 0 top 0 345 | mol scaleminmax top 0 0.000000 0.000000 346 | mol smoothrep top 0 0 347 | mol drawframes top 0 {now} 348 | mol clipplane center 0 0 top {0.0 0.0 0.0} 349 | mol clipplane color 0 0 top {0.5 0.5 0.5 } 350 | mol clipplane normal 0 0 top {0.0 0.0 1.0} 351 | mol clipplane status 0 0 top {0} 352 | mol clipplane center 1 0 top {0.0 0.0 0.0} 353 | mol clipplane color 1 0 top {0.5 0.5 0.5 } 354 | mol clipplane normal 1 0 top {0.0 0.0 1.0} 355 | mol clipplane status 1 0 top {0} 356 | mol clipplane center 2 0 top {0.0 0.0 0.0} 357 | mol clipplane color 2 0 top {0.5 0.5 0.5 } 358 | mol clipplane normal 2 0 top {0.0 0.0 1.0} 359 | mol clipplane status 2 0 top {0} 360 | mol clipplane center 3 0 top {0.0 0.0 0.0} 361 | mol clipplane color 3 0 top {0.5 0.5 0.5 } 362 | mol clipplane normal 3 0 top {0.0 0.0 1.0} 363 | mol clipplane status 3 0 top {0} 364 | mol clipplane center 4 0 top {0.0 0.0 0.0} 365 | mol clipplane color 4 0 top {0.5 0.5 0.5 } 366 | mol clipplane normal 4 0 top {0.0 0.0 1.0} 367 | mol clipplane status 4 0 top {0} 368 | mol clipplane center 5 0 top {0.0 0.0 0.0} 369 | mol clipplane color 5 0 top {0.5 0.5 0.5 } 370 | mol clipplane normal 5 0 top {0.0 0.0 1.0} 371 | mol clipplane status 5 0 top {0} 372 | mol representation Licorice 0.300000 12.000000 12.000000 373 | mol color Name 374 | mol selection {not protein and not ions and not water} 375 | mol material Opaque 376 | mol addrep top 377 | mol selupdate 1 top 0 378 | mol colupdate 1 top 0 379 | mol scaleminmax top 1 0.000000 0.000000 380 | mol smoothrep top 1 0 381 | mol drawframes top 1 {now} 382 | mol clipplane center 0 1 top {0.0 0.0 0.0} 383 | mol clipplane color 0 1 top {0.5 0.5 0.5 } 384 | mol clipplane normal 0 1 top {0.0 0.0 1.0} 385 | mol clipplane status 0 1 top {0} 386 | mol clipplane center 1 1 top {0.0 0.0 0.0} 387 | mol clipplane color 1 1 top {0.5 0.5 0.5 } 388 | mol clipplane normal 1 1 top {0.0 0.0 1.0} 389 | mol clipplane status 1 1 top {0} 390 | mol clipplane center 2 1 top {0.0 0.0 0.0} 391 | mol clipplane color 2 1 top {0.5 0.5 0.5 } 392 | mol clipplane normal 2 1 top {0.0 0.0 1.0} 393 | mol clipplane status 2 1 top {0} 394 | mol clipplane center 3 1 top {0.0 0.0 0.0} 395 | mol clipplane color 3 1 top {0.5 0.5 0.5 } 396 | mol clipplane normal 3 1 top {0.0 0.0 1.0} 397 | mol clipplane status 3 1 top {0} 398 | mol clipplane center 4 1 top {0.0 0.0 0.0} 399 | mol clipplane color 4 1 top {0.5 0.5 0.5 } 400 | mol clipplane normal 4 1 top {0.0 0.0 1.0} 401 | mol clipplane status 4 1 top {0} 402 | mol clipplane center 5 1 top {0.0 0.0 0.0} 403 | mol clipplane color 5 1 top {0.5 0.5 0.5 } 404 | mol clipplane normal 5 1 top {0.0 0.0 1.0} 405 | mol clipplane status 5 1 top {0} 406 | mol rename top 3WVY_fix.pdb 407 | set viewpoints([molinfo top]) {{{1 0 0 0.342298} {0 1 0 -21.5455} {0 0 1 -0.531687} {0 0 0 1}} {{0.287077 0.722666 0.628763 0} {0.721672 -0.594799 0.35413 0} {0.629903 0.352097 -0.692282 0} {0 0 0 1}} {{0.0616128 0 0 0} {0 0.0616128 0 0} {0 0 0.0616128 0} {0 0 0 1}} {{1 0 0 0.19} {0 1 0 -0.02} {0 0 1 0} {0 0 0 1}}} 408 | lappend viewplist [molinfo top] 409 | set topmol [molinfo top] 410 | # done with molecule 0 411 | foreach v $viewplist { 412 | molinfo $v set {center_matrix rotate_matrix scale_matrix global_matrix} $viewpoints($v) 413 | } 414 | foreach v $fixedlist { 415 | molinfo $v set fixed 1 416 | } 417 | unset viewplist 418 | unset fixedlist 419 | mol top $topmol 420 | unset topmol 421 | proc vmdrestoremycolors {} { 422 | color scale colors RWB {1.0 0.0 0.0} {1.0 1.0 1.0} {0.0 0.0 1.0} 423 | color scale colors BWR {0.0 0.0 1.0} {1.0 1.0 1.0} {1.0 0.0 0.0} 424 | color scale colors RGryB {1.0 0.0 0.0} {0.5 0.5 0.5} {0.0 0.0 1.0} 425 | color scale colors BGryR {0.0 0.0 1.0} {0.5 0.5 0.5} {1.0 0.0 0.0} 426 | color scale colors RGB {1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0} 427 | color scale colors BGR {0.0 0.0 1.0} {0.0 1.0 0.0} {1.0 0.0 0.0} 428 | color scale colors RWG {1.0 0.0 0.0} {1.0 1.0 1.0} {0.0 1.0 0.0} 429 | color scale colors GWR {0.0 1.0 0.0} {1.0 1.0 1.0} {1.0 0.0 0.0} 430 | color scale colors GWB {0.0 1.0 0.0} {1.0 1.0 1.0} {0.0 0.0 1.0} 431 | color scale colors BWG {0.0 0.0 1.0} {1.0 1.0 1.0} {0.0 1.0 0.0} 432 | color scale colors BlkW {0.0 0.0 0.0} {0.5 0.5 0.5} {1.0 1.0 1.0} 433 | color scale colors WBlk {1.0 1.0 1.0} {0.5 0.5 0.5} {0.0 0.0 0.0} 434 | color scale method RWB 435 | set colorcmds { 436 | {color Display {Background} white} 437 | {color Display {BackgroundTop} black} 438 | {color Display {BackgroundBot} blue2} 439 | {color Display {FPS} white} 440 | {color Name {LPA} green} 441 | {color Name {LPB} green} 442 | {color Type {LP} green} 443 | {color Type {DRUD} pink} 444 | {color Element {X} cyan} 445 | {color Element {Ac} ochre} 446 | {color Element {Ag} ochre} 447 | {color Element {Al} ochre} 448 | {color Element {Am} ochre} 449 | {color Element {Ar} ochre} 450 | {color Element {As} ochre} 451 | {color Element {At} ochre} 452 | {color Element {Au} ochre} 453 | {color Element {B} ochre} 454 | {color Element {Ba} ochre} 455 | {color Element {Be} ochre} 456 | {color Element {Bh} ochre} 457 | {color Element {Bi} ochre} 458 | {color Element {Bk} ochre} 459 | {color Element {Br} ochre} 460 | {color Element {Ca} ochre} 461 | {color Element {Cd} ochre} 462 | {color Element {Ce} ochre} 463 | {color Element {Cf} ochre} 464 | {color Element {Cl} ochre} 465 | {color Element {Cm} ochre} 466 | {color Element {Co} ochre} 467 | {color Element {Cr} ochre} 468 | {color Element {Cs} ochre} 469 | {color Element {Cu} ochre} 470 | {color Element {Db} ochre} 471 | {color Element {Ds} ochre} 472 | {color Element {Dy} ochre} 473 | {color Element {Er} ochre} 474 | {color Element {Es} ochre} 475 | {color Element {Eu} ochre} 476 | {color Element {F} ochre} 477 | {color Element {Fe} ochre} 478 | {color Element {Fm} ochre} 479 | {color Element {Fr} ochre} 480 | {color Element {Ga} ochre} 481 | {color Element {Gd} ochre} 482 | {color Element {Ge} ochre} 483 | {color Element {He} ochre} 484 | {color Element {Hf} ochre} 485 | {color Element {Hg} ochre} 486 | {color Element {Ho} ochre} 487 | {color Element {Hs} ochre} 488 | {color Element {I} ochre} 489 | {color Element {In} ochre} 490 | {color Element {Ir} ochre} 491 | {color Element {K} ochre} 492 | {color Element {Kr} ochre} 493 | {color Element {La} ochre} 494 | {color Element {Li} ochre} 495 | {color Element {Lr} ochre} 496 | {color Element {Lu} ochre} 497 | {color Element {Md} ochre} 498 | {color Element {Mg} ochre} 499 | {color Element {Mn} ochre} 500 | {color Element {Mo} ochre} 501 | {color Element {Mt} ochre} 502 | {color Element {Na} ochre} 503 | {color Element {Nb} ochre} 504 | {color Element {Nd} ochre} 505 | {color Element {Ne} ochre} 506 | {color Element {Ni} ochre} 507 | {color Element {No} ochre} 508 | {color Element {Np} ochre} 509 | {color Element {Os} ochre} 510 | {color Element {Pa} ochre} 511 | {color Element {Pb} ochre} 512 | {color Element {Pd} ochre} 513 | {color Element {Pm} ochre} 514 | {color Element {Po} ochre} 515 | {color Element {Pr} ochre} 516 | {color Element {Pt} ochre} 517 | {color Element {Pu} ochre} 518 | {color Element {Ra} ochre} 519 | {color Element {Rb} ochre} 520 | {color Element {Re} ochre} 521 | {color Element {Rf} ochre} 522 | {color Element {Rg} ochre} 523 | {color Element {Rh} ochre} 524 | {color Element {Rn} ochre} 525 | {color Element {Ru} ochre} 526 | {color Element {Sb} ochre} 527 | {color Element {Sc} ochre} 528 | {color Element {Se} ochre} 529 | {color Element {Sg} ochre} 530 | {color Element {Si} ochre} 531 | {color Element {Sm} ochre} 532 | {color Element {Sn} ochre} 533 | {color Element {Sr} ochre} 534 | {color Element {Ta} ochre} 535 | {color Element {Tb} ochre} 536 | {color Element {Tc} ochre} 537 | {color Element {Te} ochre} 538 | {color Element {Th} ochre} 539 | {color Element {Ti} ochre} 540 | {color Element {Tl} ochre} 541 | {color Element {Tm} ochre} 542 | {color Element {U} ochre} 543 | {color Element {V} ochre} 544 | {color Element {W} ochre} 545 | {color Element {Xe} ochre} 546 | {color Element {Y} ochre} 547 | {color Element {Yb} ochre} 548 | {color Element {Zr} ochre} 549 | {color Resname {NAG} silver} 550 | {color Resname {HOH} green} 551 | {color Chain {A} blue} 552 | {color Chain {B} red} 553 | {color Chain {C} gray} 554 | {color Segname {} blue} 555 | {color Conformation {all} blue} 556 | {color Molecule {0} blue} 557 | {color Structure {3_10_Helix} blue} 558 | {color Surface {Grasp} gray} 559 | {color Labels {Springs} orange} 560 | {color Stage {Even} gray} 561 | {color Stage {Odd} silver} 562 | } 563 | foreach colcmd $colorcmds { 564 | set val [catch {eval $colcmd}] 565 | } 566 | color change rgb 0 0.0 0.0 1.0 567 | color change rgb 2 0.3499999940395355 0.3499999940395355 0.3499999940395355 568 | color change rgb 3 1.0 0.5 0.0 569 | color change rgb 4 1.0 1.0 0.0 570 | color change rgb 5 0.5 0.5 0.20000000298023224 571 | color change rgb 6 0.6000000238418579 0.6000000238418579 0.6000000238418579 572 | color change rgb 7 0.0 1.0 0.0 573 | color change rgb 9 1.0 0.6000000238418579 0.6000000238418579 574 | color change rgb 11 0.6499999761581421 0.0 0.6499999761581421 575 | color change rgb 12 0.5 0.8999999761581421 0.4000000059604645 576 | color change rgb 13 0.8999999761581421 0.4000000059604645 0.699999988079071 577 | color change rgb 14 0.5 0.30000001192092896 0.0 578 | color change rgb 15 0.5 0.5 0.75 579 | color change rgb 17 0.8799999952316284 0.9700000286102295 0.019999999552965164 580 | color change rgb 18 0.550000011920929 0.8999999761581421 0.019999999552965164 581 | color change rgb 19 0.0 0.8999999761581421 0.03999999910593033 582 | color change rgb 20 0.0 0.8999999761581421 0.5 583 | color change rgb 21 0.0 0.8799999952316284 1.0 584 | color change rgb 22 0.0 0.7599999904632568 1.0 585 | color change rgb 23 0.019999999552965164 0.3799999952316284 0.6700000166893005 586 | color change rgb 24 0.009999999776482582 0.03999999910593033 0.9300000071525574 587 | color change rgb 25 0.27000001072883606 0.0 0.9800000190734863 588 | color change rgb 26 0.44999998807907104 0.0 0.8999999761581421 589 | color change rgb 27 0.8999999761581421 0.0 0.8999999761581421 590 | color change rgb 28 1.0 0.0 0.6600000262260437 591 | color change rgb 29 0.9800000190734863 0.0 0.23000000417232513 592 | color change rgb 30 0.8100000023841858 0.0 0.0 593 | color change rgb 31 0.8899999856948853 0.3499999940395355 0.0 594 | color change rgb 32 0.9599999785423279 0.7200000286102295 0.0 595 | } 596 | vmdrestoremycolors 597 | label textsize 1.0 598 | -------------------------------------------------------------------------------- /assets/LysozymeVDW.tga: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/cing/HackingStructBiolTalk/d58a716f9557eb89c92f395d7764e7f4a5ab7e64/assets/LysozymeVDW.tga 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