USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 LYS NZ :NH3+ -142:sc= -0.0397 (180deg=-2.26!) USER MOD Set 1.2: A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 8 TYR OH : rot 30:sc= 1.14 USER MOD Set 2.2: A 41 TYR OH : rot 168:sc= 1.29 USER MOD Set 3.1: A 4 SER OG : rot -44:sc= 0.988 USER MOD Set 3.2: A 114 SER OG : rot -58:sc= 0.94 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= 0 (180deg=-0.227) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.036 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.0255 X(o=-0.026,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= -0.0115 (180deg=-0.544) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.0136 X(o=0.014,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -1.54 K(o=-1.5,f=-2.5) USER MOD Single : A 68 HIS : no HD1:sc= -0.349 X(o=-0.35,f=-0.046) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 168:sc=-0.000173 (180deg=-0.0891) USER MOD Single : A 83 CYS SG : rot 180:sc= -0.292 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.032 X(o=-0.032,f=-0.037) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -2.52 F(o=-4!,f=-2.5) USER MOD Single : A 100 SER OG : rot 77:sc= 1.01 USER MOD Single : A 102 SER OG : rot -60:sc= 0.491 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 180:sc= -0.0546 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.040 12.983 -3.849 1.00 75.03 N ATOM 2 CA MET A 1 -16.843 13.519 -3.211 1.00 11.15 C ATOM 3 C MET A 1 -16.087 12.422 -2.468 1.00 14.33 C ATOM 4 O MET A 1 -16.642 11.756 -1.594 1.00 1.25 O ATOM 5 CB MET A 1 -17.215 14.644 -2.244 1.00 30.24 C ATOM 6 CG MET A 1 -18.093 15.717 -2.868 1.00 25.51 C ATOM 7 SD MET A 1 -17.948 17.306 -2.029 1.00 60.23 S ATOM 8 CE MET A 1 -19.653 17.855 -2.047 1.00 31.42 C ATOM 0 H1 MET A 1 -18.378 13.652 -4.570 1.00 75.03 H new ATOM 0 H2 MET A 1 -17.816 12.073 -4.299 1.00 75.03 H new ATOM 0 H3 MET A 1 -18.781 12.842 -3.133 1.00 75.03 H new ATOM 0 HA MET A 1 -16.194 13.920 -3.990 1.00 11.15 H new ATOM 0 HB2 MET A 1 -17.732 14.217 -1.385 1.00 30.24 H new ATOM 0 HB3 MET A 1 -16.302 15.106 -1.869 1.00 30.24 H new ATOM 0 HG2 MET A 1 -17.822 15.838 -3.917 1.00 25.51 H new ATOM 0 HG3 MET A 1 -19.133 15.391 -2.843 1.00 25.51 H new ATOM 0 HE1 MET A 1 -19.727 18.828 -1.562 1.00 31.42 H new ATOM 0 HE2 MET A 1 -19.998 17.936 -3.078 1.00 31.42 H new ATOM 0 HE3 MET A 1 -20.273 17.135 -1.513 1.00 31.42 H new ATOM 16 N ASP A 2 -14.820 12.240 -2.821 1.00 31.12 N ATOM 17 CA ASP A 2 -13.987 11.224 -2.186 1.00 44.43 C ATOM 18 C ASP A 2 -12.506 11.543 -2.369 1.00 14.44 C ATOM 19 O ASP A 2 -11.842 10.981 -3.241 1.00 51.24 O ATOM 20 CB ASP A 2 -14.300 9.844 -2.764 1.00 70.10 C ATOM 21 CG ASP A 2 -15.275 9.063 -1.905 1.00 11.14 C ATOM 22 OD1 ASP A 2 -14.888 8.658 -0.788 1.00 33.30 O ATOM 23 OD2 ASP A 2 -16.424 8.855 -2.349 1.00 44.51 O ATOM 0 H ASP A 2 -14.346 12.782 -3.543 1.00 31.12 H new ATOM 0 HA ASP A 2 -14.210 11.221 -1.119 1.00 44.43 H new ATOM 0 HB2 ASP A 2 -14.714 9.959 -3.766 1.00 70.10 H new ATOM 0 HB3 ASP A 2 -13.374 9.277 -2.865 1.00 70.10 H new ATOM 27 N THR A 3 -11.995 12.449 -1.541 1.00 35.51 N ATOM 28 CA THR A 3 -10.594 12.844 -1.614 1.00 21.34 C ATOM 29 C THR A 3 -9.677 11.697 -1.202 1.00 5.21 C ATOM 30 O THR A 3 -10.074 10.816 -0.441 1.00 13.44 O ATOM 31 CB THR A 3 -10.307 14.063 -0.717 1.00 44.23 C ATOM 32 OG1 THR A 3 -11.022 13.942 0.518 1.00 23.35 O ATOM 33 CG2 THR A 3 -10.707 15.355 -1.415 1.00 34.32 C ATOM 0 H THR A 3 -12.530 12.922 -0.813 1.00 35.51 H new ATOM 0 HA THR A 3 -10.394 13.110 -2.652 1.00 21.34 H new ATOM 0 HB THR A 3 -9.236 14.093 -0.515 1.00 44.23 H new ATOM 0 HG1 THR A 3 -10.833 14.720 1.083 1.00 23.35 H new ATOM 0 HG21 THR A 3 -10.495 16.202 -0.762 1.00 34.32 H new ATOM 0 HG22 THR A 3 -10.140 15.459 -2.340 1.00 34.32 H new ATOM 0 HG23 THR A 3 -11.773 15.331 -1.643 1.00 34.32 H new ATOM 41 N SER A 4 -8.448 11.717 -1.708 1.00 55.02 N ATOM 42 CA SER A 4 -7.477 10.677 -1.395 1.00 25.53 C ATOM 43 C SER A 4 -7.167 10.654 0.100 1.00 14.13 C ATOM 44 O SER A 4 -6.655 9.666 0.625 1.00 1.44 O ATOM 45 CB SER A 4 -6.187 10.897 -2.190 1.00 52.31 C ATOM 46 OG SER A 4 -6.436 10.854 -3.584 1.00 44.11 O ATOM 0 H SER A 4 -8.102 12.442 -2.336 1.00 55.02 H new ATOM 0 HA SER A 4 -7.909 9.716 -1.674 1.00 25.53 H new ATOM 0 HB2 SER A 4 -5.752 11.860 -1.924 1.00 52.31 H new ATOM 0 HB3 SER A 4 -5.457 10.133 -1.924 1.00 52.31 H new ATOM 0 HG SER A 4 -7.025 10.098 -3.788 1.00 44.11 H new ATOM 51 N LYS A 5 -7.483 11.751 0.779 1.00 52.41 N ATOM 52 CA LYS A 5 -7.242 11.860 2.213 1.00 61.13 C ATOM 53 C LYS A 5 -7.948 10.740 2.969 1.00 25.15 C ATOM 54 O LYS A 5 -7.576 10.407 4.095 1.00 1.24 O ATOM 55 CB LYS A 5 -7.720 13.219 2.730 1.00 65.30 C ATOM 56 CG LYS A 5 -6.975 14.396 2.122 1.00 14.25 C ATOM 57 CD LYS A 5 -5.669 14.666 2.850 1.00 73.12 C ATOM 58 CE LYS A 5 -5.637 16.070 3.433 1.00 41.34 C ATOM 59 NZ LYS A 5 -4.795 16.142 4.660 1.00 52.25 N ATOM 0 H LYS A 5 -7.907 12.578 0.359 1.00 52.41 H new ATOM 0 HA LYS A 5 -6.169 11.770 2.384 1.00 61.13 H new ATOM 0 HB2 LYS A 5 -8.784 13.325 2.519 1.00 65.30 H new ATOM 0 HB3 LYS A 5 -7.605 13.247 3.814 1.00 65.30 H new ATOM 0 HG2 LYS A 5 -6.771 14.195 1.070 1.00 14.25 H new ATOM 0 HG3 LYS A 5 -7.604 15.285 2.160 1.00 14.25 H new ATOM 0 HD2 LYS A 5 -5.539 13.936 3.649 1.00 73.12 H new ATOM 0 HD3 LYS A 5 -4.834 14.538 2.161 1.00 73.12 H new ATOM 0 HE2 LYS A 5 -5.251 16.764 2.687 1.00 41.34 H new ATOM 0 HE3 LYS A 5 -6.652 16.388 3.670 1.00 41.34 H new ATOM 0 HZ1 LYS A 5 -4.799 17.115 5.027 1.00 52.25 H new ATOM 0 HZ2 LYS A 5 -5.177 15.498 5.382 1.00 52.25 H new ATOM 0 HZ3 LYS A 5 -3.820 15.863 4.429 1.00 52.25 H new ATOM 69 N PHE A 6 -8.968 10.161 2.345 1.00 73.14 N ATOM 70 CA PHE A 6 -9.726 9.078 2.960 1.00 30.24 C ATOM 71 C PHE A 6 -8.847 7.848 3.169 1.00 63.23 C ATOM 72 O PHE A 6 -8.977 7.140 4.167 1.00 42.25 O ATOM 73 CB PHE A 6 -10.932 8.714 2.091 1.00 55.53 C ATOM 74 CG PHE A 6 -12.202 9.396 2.513 1.00 51.15 C ATOM 75 CD1 PHE A 6 -12.740 9.172 3.770 1.00 11.51 C ATOM 76 CD2 PHE A 6 -12.858 10.261 1.652 1.00 71.21 C ATOM 77 CE1 PHE A 6 -13.908 9.798 4.161 1.00 52.50 C ATOM 78 CE2 PHE A 6 -14.027 10.890 2.038 1.00 23.51 C ATOM 79 CZ PHE A 6 -14.553 10.658 3.294 1.00 63.04 C ATOM 0 H PHE A 6 -9.289 10.424 1.413 1.00 73.14 H new ATOM 0 HA PHE A 6 -10.077 9.421 3.933 1.00 30.24 H new ATOM 0 HB2 PHE A 6 -10.716 8.975 1.055 1.00 55.53 H new ATOM 0 HB3 PHE A 6 -11.081 7.635 2.123 1.00 55.53 H new ATOM 0 HD1 PHE A 6 -12.240 8.500 4.452 1.00 11.51 H new ATOM 0 HD2 PHE A 6 -12.452 10.446 0.669 1.00 71.21 H new ATOM 0 HE1 PHE A 6 -14.316 9.615 5.144 1.00 52.50 H new ATOM 0 HE2 PHE A 6 -14.529 11.562 1.358 1.00 23.51 H new ATOM 0 HZ PHE A 6 -15.466 11.148 3.597 1.00 63.04 H new ATOM 88 N TRP A 7 -7.951 7.602 2.220 1.00 73.54 N ATOM 89 CA TRP A 7 -7.050 6.458 2.298 1.00 60.41 C ATOM 90 C TRP A 7 -5.624 6.908 2.596 1.00 44.05 C ATOM 91 O TRP A 7 -4.775 6.102 2.979 1.00 75.20 O ATOM 92 CB TRP A 7 -7.084 5.664 0.991 1.00 54.41 C ATOM 93 CG TRP A 7 -6.659 6.465 -0.202 1.00 73.01 C ATOM 94 CD1 TRP A 7 -5.441 7.048 -0.405 1.00 52.23 C ATOM 95 CD2 TRP A 7 -7.451 6.772 -1.354 1.00 72.20 C ATOM 96 NE1 TRP A 7 -5.428 7.699 -1.615 1.00 50.44 N ATOM 97 CE2 TRP A 7 -6.649 7.544 -2.217 1.00 21.01 C ATOM 98 CE3 TRP A 7 -8.759 6.467 -1.742 1.00 65.42 C ATOM 99 CZ2 TRP A 7 -7.114 8.016 -3.442 1.00 12.14 C ATOM 100 CZ3 TRP A 7 -9.219 6.937 -2.958 1.00 44.13 C ATOM 101 CH2 TRP A 7 -8.399 7.703 -3.797 1.00 23.42 C ATOM 0 H TRP A 7 -7.829 8.179 1.388 1.00 73.54 H new ATOM 0 HA TRP A 7 -7.387 5.817 3.113 1.00 60.41 H new ATOM 0 HB2 TRP A 7 -6.434 4.794 1.086 1.00 54.41 H new ATOM 0 HB3 TRP A 7 -8.095 5.290 0.827 1.00 54.41 H new ATOM 0 HD1 TRP A 7 -4.610 7.004 0.284 1.00 52.23 H new ATOM 0 HE1 TRP A 7 -4.637 8.214 -2.002 1.00 50.44 H new ATOM 0 HE3 TRP A 7 -9.398 5.875 -1.104 1.00 65.42 H new ATOM 0 HZ2 TRP A 7 -6.484 8.608 -4.089 1.00 12.14 H new ATOM 0 HZ3 TRP A 7 -10.229 6.710 -3.267 1.00 44.13 H new ATOM 0 HH2 TRP A 7 -8.788 8.053 -4.742 1.00 23.42 H new ATOM 111 N TYR A 8 -5.367 8.199 2.419 1.00 63.33 N ATOM 112 CA TYR A 8 -4.042 8.756 2.667 1.00 73.21 C ATOM 113 C TYR A 8 -3.979 9.423 4.037 1.00 41.04 C ATOM 114 O TYR A 8 -4.577 10.476 4.256 1.00 63.04 O ATOM 115 CB TYR A 8 -3.678 9.766 1.578 1.00 41.15 C ATOM 116 CG TYR A 8 -2.359 10.466 1.817 1.00 33.41 C ATOM 117 CD1 TYR A 8 -2.289 11.610 2.603 1.00 54.51 C ATOM 118 CD2 TYR A 8 -1.182 9.985 1.256 1.00 15.31 C ATOM 119 CE1 TYR A 8 -1.087 12.253 2.823 1.00 1.23 C ATOM 120 CE2 TYR A 8 0.024 10.621 1.473 1.00 32.54 C ATOM 121 CZ TYR A 8 0.067 11.754 2.257 1.00 31.41 C ATOM 122 OH TYR A 8 1.267 12.391 2.474 1.00 0.21 O ATOM 0 H TYR A 8 -6.059 8.880 2.105 1.00 63.33 H new ATOM 0 HA TYR A 8 -3.323 7.937 2.649 1.00 73.21 H new ATOM 0 HB2 TYR A 8 -3.638 9.253 0.617 1.00 41.15 H new ATOM 0 HB3 TYR A 8 -4.469 10.513 1.508 1.00 41.15 H new ATOM 0 HD1 TYR A 8 -3.190 12.003 3.050 1.00 54.51 H new ATOM 0 HD2 TYR A 8 -1.211 9.099 0.640 1.00 15.31 H new ATOM 0 HE1 TYR A 8 -1.051 13.142 3.435 1.00 1.23 H new ATOM 0 HE2 TYR A 8 0.929 10.233 1.031 1.00 32.54 H new ATOM 0 HH TYR A 8 1.251 12.829 3.351 1.00 0.21 H new ATOM 131 N LYS A 9 -3.249 8.802 4.957 1.00 3.31 N ATOM 132 CA LYS A 9 -3.104 9.335 6.307 1.00 31.35 C ATOM 133 C LYS A 9 -1.678 9.149 6.815 1.00 32.51 C ATOM 134 O LYS A 9 -1.227 8.033 7.077 1.00 61.13 O ATOM 135 CB LYS A 9 -4.089 8.647 7.257 1.00 63.50 C ATOM 136 CG LYS A 9 -5.538 9.031 7.013 1.00 71.43 C ATOM 137 CD LYS A 9 -6.493 8.017 7.618 1.00 44.20 C ATOM 138 CE LYS A 9 -7.930 8.288 7.204 1.00 52.22 C ATOM 139 NZ LYS A 9 -8.905 7.635 8.120 1.00 33.11 N ATOM 0 H LYS A 9 -2.748 7.929 4.793 1.00 3.31 H new ATOM 0 HA LYS A 9 -3.323 10.402 6.275 1.00 31.35 H new ATOM 0 HB2 LYS A 9 -3.986 7.567 7.154 1.00 63.50 H new ATOM 0 HB3 LYS A 9 -3.824 8.896 8.285 1.00 63.50 H new ATOM 0 HG2 LYS A 9 -5.732 10.015 7.441 1.00 71.43 H new ATOM 0 HG3 LYS A 9 -5.719 9.108 5.941 1.00 71.43 H new ATOM 0 HD2 LYS A 9 -6.206 7.013 7.304 1.00 44.20 H new ATOM 0 HD3 LYS A 9 -6.415 8.046 8.705 1.00 44.20 H new ATOM 0 HE2 LYS A 9 -8.108 9.363 7.192 1.00 52.22 H new ATOM 0 HE3 LYS A 9 -8.089 7.927 6.188 1.00 52.22 H new ATOM 0 HZ1 LYS A 9 -9.873 7.844 7.803 1.00 33.11 H new ATOM 0 HZ2 LYS A 9 -8.753 6.606 8.113 1.00 33.11 H new ATOM 0 HZ3 LYS A 9 -8.771 7.998 9.085 1.00 33.11 H new ATOM 149 N PRO A 10 -0.950 10.266 6.960 1.00 73.30 N ATOM 150 CA PRO A 10 0.436 10.252 7.439 1.00 75.10 C ATOM 151 C PRO A 10 0.534 9.879 8.915 1.00 70.02 C ATOM 152 O PRO A 10 1.481 9.213 9.335 1.00 10.30 O ATOM 153 CB PRO A 10 0.901 11.693 7.219 1.00 62.14 C ATOM 154 CG PRO A 10 -0.348 12.504 7.249 1.00 61.31 C ATOM 155 CD PRO A 10 -1.423 11.629 6.666 1.00 11.34 C ATOM 0 HA PRO A 10 1.041 9.511 6.918 1.00 75.10 H new ATOM 0 HB2 PRO A 10 1.596 12.008 7.998 1.00 62.14 H new ATOM 0 HB3 PRO A 10 1.420 11.800 6.266 1.00 62.14 H new ATOM 0 HG2 PRO A 10 -0.596 12.801 8.268 1.00 61.31 H new ATOM 0 HG3 PRO A 10 -0.233 13.420 6.669 1.00 61.31 H new ATOM 0 HD2 PRO A 10 -2.393 11.825 7.123 1.00 11.34 H new ATOM 0 HD3 PRO A 10 -1.537 11.792 5.594 1.00 11.34 H new ATOM 160 N HIS A 11 -0.449 10.313 9.697 1.00 41.10 N ATOM 161 CA HIS A 11 -0.473 10.024 11.126 1.00 52.12 C ATOM 162 C HIS A 11 -0.852 8.568 11.380 1.00 42.00 C ATOM 163 O HIS A 11 -0.808 8.093 12.516 1.00 32.52 O ATOM 164 CB HIS A 11 -1.459 10.951 11.839 1.00 71.43 C ATOM 165 CG HIS A 11 -0.808 12.133 12.488 1.00 70.44 C ATOM 166 ND1 HIS A 11 -0.114 12.052 13.677 1.00 13.52 N ATOM 167 CD2 HIS A 11 -0.744 13.430 12.105 1.00 70.12 C ATOM 168 CE1 HIS A 11 0.345 13.249 13.998 1.00 1.44 C ATOM 169 NE2 HIS A 11 -0.024 14.102 13.060 1.00 44.11 N ATOM 0 H HIS A 11 -1.239 10.866 9.365 1.00 41.10 H new ATOM 0 HA HIS A 11 0.528 10.195 11.523 1.00 52.12 H new ATOM 0 HB2 HIS A 11 -2.199 11.303 11.120 1.00 71.43 H new ATOM 0 HB3 HIS A 11 -1.997 10.382 12.597 1.00 71.43 H new ATOM 0 HD2 HIS A 11 -1.179 13.856 11.213 1.00 70.12 H new ATOM 0 HE1 HIS A 11 0.924 13.489 14.878 1.00 1.44 H new ATOM 0 HE2 HIS A 11 0.191 15.099 13.048 1.00 44.11 H new ATOM 176 N LEU A 12 -1.224 7.865 10.316 1.00 63.22 N ATOM 177 CA LEU A 12 -1.610 6.462 10.423 1.00 50.11 C ATOM 178 C LEU A 12 -0.382 5.566 10.536 1.00 4.44 C ATOM 179 O LEU A 12 0.645 5.821 9.908 1.00 24.24 O ATOM 180 CB LEU A 12 -2.447 6.050 9.211 1.00 21.21 C ATOM 181 CG LEU A 12 -3.591 5.073 9.486 1.00 72.32 C ATOM 182 CD1 LEU A 12 -4.566 5.663 10.492 1.00 53.02 C ATOM 183 CD2 LEU A 12 -4.308 4.715 8.192 1.00 71.31 C ATOM 0 H LEU A 12 -1.267 8.243 9.370 1.00 63.22 H new ATOM 0 HA LEU A 12 -2.207 6.343 11.327 1.00 50.11 H new ATOM 0 HB2 LEU A 12 -2.865 6.950 8.760 1.00 21.21 H new ATOM 0 HB3 LEU A 12 -1.783 5.602 8.471 1.00 21.21 H new ATOM 0 HG LEU A 12 -3.171 4.161 9.910 1.00 72.32 H new ATOM 0 HD11 LEU A 12 -5.373 4.954 10.675 1.00 53.02 H new ATOM 0 HD12 LEU A 12 -4.044 5.869 11.427 1.00 53.02 H new ATOM 0 HD13 LEU A 12 -4.980 6.590 10.096 1.00 53.02 H new ATOM 0 HD21 LEU A 12 -5.119 4.019 8.406 1.00 71.31 H new ATOM 0 HD22 LEU A 12 -4.716 5.619 7.740 1.00 71.31 H new ATOM 0 HD23 LEU A 12 -3.604 4.250 7.502 1.00 71.31 H new ATOM 194 N SER A 13 -0.495 4.513 11.340 1.00 12.33 N ATOM 195 CA SER A 13 0.606 3.579 11.538 1.00 75.44 C ATOM 196 C SER A 13 0.419 2.329 10.682 1.00 32.21 C ATOM 197 O SER A 13 -0.690 2.026 10.242 1.00 72.14 O ATOM 198 CB SER A 13 0.715 3.189 13.012 1.00 14.22 C ATOM 199 OG SER A 13 -0.435 3.597 13.734 1.00 34.33 O ATOM 0 H SER A 13 -1.339 4.286 11.865 1.00 12.33 H new ATOM 0 HA SER A 13 1.528 4.074 11.232 1.00 75.44 H new ATOM 0 HB2 SER A 13 0.838 2.109 13.098 1.00 14.22 H new ATOM 0 HB3 SER A 13 1.603 3.647 13.448 1.00 14.22 H new ATOM 0 HG SER A 13 -0.342 3.334 14.674 1.00 34.33 H new ATOM 204 N ARG A 14 1.512 1.609 10.451 1.00 15.34 N ATOM 205 CA ARG A 14 1.468 0.392 9.648 1.00 23.14 C ATOM 206 C ARG A 14 0.423 -0.580 10.187 1.00 41.12 C ATOM 207 O ARG A 14 -0.390 -1.114 9.433 1.00 4.02 O ATOM 208 CB ARG A 14 2.843 -0.280 9.628 1.00 54.31 C ATOM 209 CG ARG A 14 3.434 -0.497 11.011 1.00 2.14 C ATOM 210 CD ARG A 14 4.882 -0.955 10.932 1.00 4.50 C ATOM 211 NE ARG A 14 5.785 -0.034 11.617 1.00 25.31 N ATOM 212 CZ ARG A 14 5.970 -0.028 12.932 1.00 42.43 C ATOM 213 NH1 ARG A 14 5.317 -0.887 13.701 1.00 30.15 N ATOM 214 NH2 ARG A 14 6.809 0.841 13.481 1.00 44.11 N ATOM 0 H ARG A 14 2.438 1.847 10.808 1.00 15.34 H new ATOM 0 HA ARG A 14 1.190 0.668 8.631 1.00 23.14 H new ATOM 0 HB2 ARG A 14 2.761 -1.242 9.122 1.00 54.31 H new ATOM 0 HB3 ARG A 14 3.528 0.331 9.041 1.00 54.31 H new ATOM 0 HG2 ARG A 14 3.375 0.429 11.583 1.00 2.14 H new ATOM 0 HG3 ARG A 14 2.845 -1.241 11.547 1.00 2.14 H new ATOM 0 HD2 ARG A 14 4.973 -1.947 11.373 1.00 4.50 H new ATOM 0 HD3 ARG A 14 5.178 -1.043 9.887 1.00 4.50 H new ATOM 0 HE ARG A 14 6.302 0.642 11.054 1.00 25.31 H new ATOM 0 HH11 ARG A 14 4.670 -1.556 13.283 1.00 30.15 H new ATOM 0 HH12 ARG A 14 5.462 -0.880 14.711 1.00 30.15 H new ATOM 0 HH21 ARG A 14 7.312 1.505 12.893 1.00 44.11 H new ATOM 0 HH22 ARG A 14 6.950 0.845 14.491 1.00 44.11 H new ATOM 225 N ASP A 15 0.451 -0.803 11.497 1.00 70.04 N ATOM 226 CA ASP A 15 -0.494 -1.709 12.138 1.00 34.14 C ATOM 227 C ASP A 15 -1.932 -1.282 11.857 1.00 13.23 C ATOM 228 O ASP A 15 -2.794 -2.117 11.584 1.00 74.23 O ATOM 229 CB ASP A 15 -0.248 -1.755 13.646 1.00 25.11 C ATOM 230 CG ASP A 15 -0.584 -3.105 14.248 1.00 34.42 C ATOM 231 OD1 ASP A 15 -1.487 -3.785 13.713 1.00 2.35 O ATOM 232 OD2 ASP A 15 0.055 -3.483 15.251 1.00 32.13 O ATOM 0 H ASP A 15 1.118 -0.369 12.135 1.00 70.04 H new ATOM 0 HA ASP A 15 -0.342 -2.705 11.723 1.00 34.14 H new ATOM 0 HB2 ASP A 15 0.797 -1.521 13.848 1.00 25.11 H new ATOM 0 HB3 ASP A 15 -0.847 -0.985 14.132 1.00 25.11 H new ATOM 236 N GLN A 16 -2.182 0.021 11.930 1.00 33.44 N ATOM 237 CA GLN A 16 -3.515 0.558 11.686 1.00 74.52 C ATOM 238 C GLN A 16 -3.960 0.279 10.254 1.00 2.40 C ATOM 239 O GLN A 16 -5.113 -0.077 10.010 1.00 53.54 O ATOM 240 CB GLN A 16 -3.539 2.063 11.956 1.00 13.34 C ATOM 241 CG GLN A 16 -3.678 2.414 13.429 1.00 21.24 C ATOM 242 CD GLN A 16 -5.121 2.426 13.893 1.00 25.22 C ATOM 243 OE1 GLN A 16 -5.936 3.210 13.405 1.00 24.51 O ATOM 244 NE2 GLN A 16 -5.446 1.555 14.841 1.00 31.25 N ATOM 0 H GLN A 16 -1.479 0.724 12.156 1.00 33.44 H new ATOM 0 HA GLN A 16 -4.209 0.063 12.366 1.00 74.52 H new ATOM 0 HB2 GLN A 16 -2.622 2.508 11.570 1.00 13.34 H new ATOM 0 HB3 GLN A 16 -4.367 2.510 11.405 1.00 13.34 H new ATOM 0 HG2 GLN A 16 -3.115 1.695 14.024 1.00 21.24 H new ATOM 0 HG3 GLN A 16 -3.235 3.393 13.608 1.00 21.24 H new ATOM 0 HE21 GLN A 16 -4.739 0.923 15.217 1.00 31.25 H new ATOM 0 HE22 GLN A 16 -6.403 1.517 15.193 1.00 31.25 H new ATOM 251 N ALA A 17 -3.039 0.444 9.310 1.00 20.21 N ATOM 252 CA ALA A 17 -3.336 0.209 7.902 1.00 0.53 C ATOM 253 C ALA A 17 -3.681 -1.256 7.652 1.00 70.53 C ATOM 254 O ALA A 17 -4.595 -1.565 6.887 1.00 24.20 O ATOM 255 CB ALA A 17 -2.159 0.632 7.037 1.00 33.31 C ATOM 0 H ALA A 17 -2.080 0.740 9.495 1.00 20.21 H new ATOM 0 HA ALA A 17 -4.204 0.811 7.633 1.00 0.53 H new ATOM 0 HB1 ALA A 17 -2.395 0.451 5.988 1.00 33.31 H new ATOM 0 HB2 ALA A 17 -1.961 1.693 7.186 1.00 33.31 H new ATOM 0 HB3 ALA A 17 -1.277 0.055 7.316 1.00 33.31 H new ATOM 261 N ILE A 18 -2.944 -2.152 8.300 1.00 52.40 N ATOM 262 CA ILE A 18 -3.173 -3.583 8.147 1.00 72.21 C ATOM 263 C ILE A 18 -4.536 -3.984 8.700 1.00 53.31 C ATOM 264 O ILE A 18 -5.252 -4.783 8.098 1.00 73.43 O ATOM 265 CB ILE A 18 -2.082 -4.407 8.854 1.00 63.01 C ATOM 266 CG1 ILE A 18 -0.702 -4.055 8.292 1.00 42.42 C ATOM 267 CG2 ILE A 18 -2.357 -5.895 8.701 1.00 52.52 C ATOM 268 CD1 ILE A 18 0.439 -4.437 9.209 1.00 44.24 C ATOM 0 H ILE A 18 -2.183 -1.912 8.936 1.00 52.40 H new ATOM 0 HA ILE A 18 -3.141 -3.795 7.078 1.00 72.21 H new ATOM 0 HB ILE A 18 -2.095 -4.163 9.916 1.00 63.01 H new ATOM 0 HG12 ILE A 18 -0.570 -4.556 7.333 1.00 42.42 H new ATOM 0 HG13 ILE A 18 -0.660 -2.983 8.100 1.00 42.42 H new ATOM 0 HG21 ILE A 18 -1.576 -6.463 9.207 1.00 52.52 H new ATOM 0 HG22 ILE A 18 -3.324 -6.134 9.144 1.00 52.52 H new ATOM 0 HG23 ILE A 18 -2.368 -6.156 7.643 1.00 52.52 H new ATOM 0 HD11 ILE A 18 1.386 -4.158 8.747 1.00 44.24 H new ATOM 0 HD12 ILE A 18 0.332 -3.915 10.160 1.00 44.24 H new ATOM 0 HD13 ILE A 18 0.422 -5.513 9.382 1.00 44.24 H new ATOM 279 N ALA A 19 -4.889 -3.422 9.852 1.00 14.44 N ATOM 280 CA ALA A 19 -6.169 -3.718 10.486 1.00 30.44 C ATOM 281 C ALA A 19 -7.330 -3.179 9.657 1.00 3.12 C ATOM 282 O ALA A 19 -8.391 -3.800 9.578 1.00 23.44 O ATOM 283 CB ALA A 19 -6.207 -3.139 11.893 1.00 35.40 C ATOM 0 H ALA A 19 -4.307 -2.760 10.365 1.00 14.44 H new ATOM 0 HA ALA A 19 -6.274 -4.801 10.548 1.00 30.44 H new ATOM 0 HB1 ALA A 19 -7.168 -3.367 12.355 1.00 35.40 H new ATOM 0 HB2 ALA A 19 -5.405 -3.576 12.488 1.00 35.40 H new ATOM 0 HB3 ALA A 19 -6.075 -2.058 11.845 1.00 35.40 H new ATOM 289 N LEU A 20 -7.123 -2.020 9.042 1.00 73.42 N ATOM 290 CA LEU A 20 -8.153 -1.397 8.219 1.00 43.02 C ATOM 291 C LEU A 20 -8.333 -2.152 6.906 1.00 24.42 C ATOM 292 O LEU A 20 -9.430 -2.197 6.348 1.00 71.12 O ATOM 293 CB LEU A 20 -7.794 0.063 7.936 1.00 25.44 C ATOM 294 CG LEU A 20 -8.951 0.971 7.519 1.00 43.50 C ATOM 295 CD1 LEU A 20 -9.603 1.600 8.741 1.00 74.31 C ATOM 296 CD2 LEU A 20 -8.466 2.046 6.558 1.00 10.21 C ATOM 0 H LEU A 20 -6.252 -1.493 9.098 1.00 73.42 H new ATOM 0 HA LEU A 20 -9.093 -1.434 8.769 1.00 43.02 H new ATOM 0 HB2 LEU A 20 -7.334 0.483 8.830 1.00 25.44 H new ATOM 0 HB3 LEU A 20 -7.040 0.085 7.149 1.00 25.44 H new ATOM 0 HG LEU A 20 -9.697 0.364 7.006 1.00 43.50 H new ATOM 0 HD11 LEU A 20 -10.424 2.243 8.425 1.00 74.31 H new ATOM 0 HD12 LEU A 20 -9.987 0.815 9.393 1.00 74.31 H new ATOM 0 HD13 LEU A 20 -8.866 2.193 9.282 1.00 74.31 H new ATOM 0 HD21 LEU A 20 -9.303 2.683 6.272 1.00 10.21 H new ATOM 0 HD22 LEU A 20 -7.700 2.650 7.044 1.00 10.21 H new ATOM 0 HD23 LEU A 20 -8.047 1.576 5.668 1.00 10.21 H new ATOM 307 N LEU A 21 -7.249 -2.746 6.418 1.00 74.14 N ATOM 308 CA LEU A 21 -7.287 -3.502 5.170 1.00 2.44 C ATOM 309 C LEU A 21 -7.945 -4.862 5.378 1.00 5.42 C ATOM 310 O LEU A 21 -8.734 -5.316 4.549 1.00 25.14 O ATOM 311 CB LEU A 21 -5.872 -3.686 4.620 1.00 61.45 C ATOM 312 CG LEU A 21 -5.256 -2.466 3.934 1.00 61.33 C ATOM 313 CD1 LEU A 21 -3.846 -2.778 3.455 1.00 21.51 C ATOM 314 CD2 LEU A 21 -6.126 -2.012 2.771 1.00 42.55 C ATOM 0 H LEU A 21 -6.334 -2.719 6.867 1.00 74.14 H new ATOM 0 HA LEU A 21 -7.880 -2.938 4.450 1.00 2.44 H new ATOM 0 HB2 LEU A 21 -5.220 -3.984 5.441 1.00 61.45 H new ATOM 0 HB3 LEU A 21 -5.885 -4.511 3.908 1.00 61.45 H new ATOM 0 HG LEU A 21 -5.201 -1.655 4.660 1.00 61.33 H new ATOM 0 HD11 LEU A 21 -3.424 -1.898 2.969 1.00 21.51 H new ATOM 0 HD12 LEU A 21 -3.225 -3.055 4.307 1.00 21.51 H new ATOM 0 HD13 LEU A 21 -3.877 -3.604 2.745 1.00 21.51 H new ATOM 0 HD21 LEU A 21 -5.672 -1.143 2.295 1.00 42.55 H new ATOM 0 HD22 LEU A 21 -6.213 -2.820 2.044 1.00 42.55 H new ATOM 0 HD23 LEU A 21 -7.117 -1.748 3.140 1.00 42.55 H new ATOM 325 N LYS A 22 -7.616 -5.508 6.492 1.00 2.11 N ATOM 326 CA LYS A 22 -8.176 -6.816 6.813 1.00 14.21 C ATOM 327 C LYS A 22 -9.644 -6.696 7.214 1.00 63.55 C ATOM 328 O LYS A 22 -10.358 -7.694 7.294 1.00 52.13 O ATOM 329 CB LYS A 22 -7.380 -7.472 7.943 1.00 51.33 C ATOM 330 CG LYS A 22 -7.670 -6.883 9.312 1.00 12.42 C ATOM 331 CD LYS A 22 -6.889 -7.597 10.403 1.00 22.12 C ATOM 332 CE LYS A 22 -7.463 -7.308 11.781 1.00 34.22 C ATOM 333 NZ LYS A 22 -6.590 -7.831 12.867 1.00 14.15 N ATOM 0 H LYS A 22 -6.964 -5.147 7.188 1.00 2.11 H new ATOM 0 HA LYS A 22 -8.110 -7.440 5.922 1.00 14.21 H new ATOM 0 HB2 LYS A 22 -7.603 -8.539 7.961 1.00 51.33 H new ATOM 0 HB3 LYS A 22 -6.315 -7.372 7.732 1.00 51.33 H new ATOM 0 HG2 LYS A 22 -7.415 -5.823 9.315 1.00 12.42 H new ATOM 0 HG3 LYS A 22 -8.737 -6.954 9.521 1.00 12.42 H new ATOM 0 HD2 LYS A 22 -6.905 -8.671 10.219 1.00 22.12 H new ATOM 0 HD3 LYS A 22 -5.846 -7.283 10.369 1.00 22.12 H new ATOM 0 HE2 LYS A 22 -7.589 -6.232 11.903 1.00 34.22 H new ATOM 0 HE3 LYS A 22 -8.453 -7.757 11.863 1.00 34.22 H new ATOM 0 HZ1 LYS A 22 -7.016 -7.614 13.790 1.00 14.15 H new ATOM 0 HZ2 LYS A 22 -6.490 -8.861 12.766 1.00 14.15 H new ATOM 0 HZ3 LYS A 22 -5.653 -7.384 12.805 1.00 14.15 H new ATOM 343 N ASP A 23 -10.085 -5.468 7.463 1.00 61.04 N ATOM 344 CA ASP A 23 -11.467 -5.217 7.853 1.00 52.21 C ATOM 345 C ASP A 23 -12.228 -4.511 6.734 1.00 32.50 C ATOM 346 O ASP A 23 -13.380 -4.113 6.906 1.00 1.05 O ATOM 347 CB ASP A 23 -11.515 -4.374 9.128 1.00 21.15 C ATOM 348 CG ASP A 23 -12.836 -4.506 9.860 1.00 54.22 C ATOM 349 OD1 ASP A 23 -13.492 -5.558 9.714 1.00 41.30 O ATOM 350 OD2 ASP A 23 -13.215 -3.556 10.577 1.00 51.44 O ATOM 0 H ASP A 23 -9.505 -4.631 7.402 1.00 61.04 H new ATOM 0 HA ASP A 23 -11.944 -6.178 8.044 1.00 52.21 H new ATOM 0 HB2 ASP A 23 -10.704 -4.676 9.791 1.00 21.15 H new ATOM 0 HB3 ASP A 23 -11.346 -3.327 8.875 1.00 21.15 H new ATOM 354 N LYS A 24 -11.576 -4.360 5.587 1.00 72.34 N ATOM 355 CA LYS A 24 -12.190 -3.704 4.438 1.00 60.35 C ATOM 356 C LYS A 24 -12.249 -4.645 3.240 1.00 60.40 C ATOM 357 O LYS A 24 -11.737 -5.764 3.292 1.00 33.11 O ATOM 358 CB LYS A 24 -11.409 -2.440 4.069 1.00 22.13 C ATOM 359 CG LYS A 24 -11.821 -1.215 4.867 1.00 35.20 C ATOM 360 CD LYS A 24 -12.922 -0.437 4.166 1.00 33.32 C ATOM 361 CE LYS A 24 -13.924 0.128 5.159 1.00 55.41 C ATOM 362 NZ LYS A 24 -15.154 -0.707 5.241 1.00 54.41 N ATOM 0 H LYS A 24 -10.622 -4.683 5.428 1.00 72.34 H new ATOM 0 HA LYS A 24 -13.209 -3.428 4.711 1.00 60.35 H new ATOM 0 HB2 LYS A 24 -10.345 -2.622 4.223 1.00 22.13 H new ATOM 0 HB3 LYS A 24 -11.547 -2.235 3.007 1.00 22.13 H new ATOM 0 HG2 LYS A 24 -12.164 -1.522 5.855 1.00 35.20 H new ATOM 0 HG3 LYS A 24 -10.956 -0.569 5.016 1.00 35.20 H new ATOM 0 HD2 LYS A 24 -12.483 0.376 3.588 1.00 33.32 H new ATOM 0 HD3 LYS A 24 -13.436 -1.089 3.460 1.00 33.32 H new ATOM 0 HE2 LYS A 24 -13.462 0.192 6.144 1.00 55.41 H new ATOM 0 HE3 LYS A 24 -14.193 1.143 4.866 1.00 55.41 H new ATOM 0 HZ1 LYS A 24 -15.812 -0.289 5.929 1.00 54.41 H new ATOM 0 HZ2 LYS A 24 -15.609 -0.748 4.307 1.00 54.41 H new ATOM 0 HZ3 LYS A 24 -14.901 -1.669 5.545 1.00 54.41 H new ATOM 372 N ASP A 25 -12.874 -4.185 2.162 1.00 21.42 N ATOM 373 CA ASP A 25 -12.997 -4.986 0.949 1.00 21.43 C ATOM 374 C ASP A 25 -11.629 -5.240 0.324 1.00 22.11 C ATOM 375 O ASP A 25 -10.671 -4.499 0.546 1.00 21.55 O ATOM 376 CB ASP A 25 -13.909 -4.287 -0.059 1.00 52.40 C ATOM 377 CG ASP A 25 -15.376 -4.593 0.178 1.00 22.44 C ATOM 378 OD1 ASP A 25 -15.782 -4.671 1.356 1.00 35.03 O ATOM 379 OD2 ASP A 25 -16.116 -4.756 -0.814 1.00 71.12 O ATOM 0 H ASP A 25 -13.303 -3.262 2.103 1.00 21.42 H new ATOM 0 HA ASP A 25 -13.436 -5.946 1.221 1.00 21.43 H new ATOM 0 HB2 ASP A 25 -13.752 -3.210 -0.001 1.00 52.40 H new ATOM 0 HB3 ASP A 25 -13.635 -4.596 -1.068 1.00 52.40 H new ATOM 383 N PRO A 26 -11.532 -6.314 -0.474 1.00 41.24 N ATOM 384 CA PRO A 26 -10.286 -6.691 -1.148 1.00 44.43 C ATOM 385 C PRO A 26 -9.904 -5.711 -2.253 1.00 1.30 C ATOM 386 O PRO A 26 -10.767 -5.083 -2.863 1.00 34.03 O ATOM 387 CB PRO A 26 -10.603 -8.067 -1.738 1.00 44.42 C ATOM 388 CG PRO A 26 -12.083 -8.073 -1.909 1.00 40.32 C ATOM 389 CD PRO A 26 -12.633 -7.242 -0.783 1.00 51.33 C ATOM 0 HA PRO A 26 -9.437 -6.691 -0.464 1.00 44.43 H new ATOM 0 HB2 PRO A 26 -10.094 -8.217 -2.690 1.00 44.42 H new ATOM 0 HB3 PRO A 26 -10.278 -8.867 -1.073 1.00 44.42 H new ATOM 0 HG2 PRO A 26 -12.366 -7.656 -2.876 1.00 40.32 H new ATOM 0 HG3 PRO A 26 -12.476 -9.089 -1.872 1.00 40.32 H new ATOM 0 HD2 PRO A 26 -13.536 -6.709 -1.081 1.00 51.33 H new ATOM 0 HD3 PRO A 26 -12.895 -7.856 0.079 1.00 51.33 H new ATOM 394 N GLY A 27 -8.605 -5.587 -2.504 1.00 21.41 N ATOM 395 CA GLY A 27 -8.132 -4.682 -3.536 1.00 14.20 C ATOM 396 C GLY A 27 -7.901 -3.278 -3.015 1.00 20.44 C ATOM 397 O GLY A 27 -7.305 -2.446 -3.699 1.00 4.43 O ATOM 0 H GLY A 27 -7.871 -6.097 -2.012 1.00 21.41 H new ATOM 0 HA2 GLY A 27 -7.203 -5.068 -3.955 1.00 14.20 H new ATOM 0 HA3 GLY A 27 -8.859 -4.650 -4.348 1.00 14.20 H new ATOM 401 N ALA A 28 -8.375 -3.013 -1.801 1.00 73.54 N ATOM 402 CA ALA A 28 -8.216 -1.700 -1.190 1.00 10.25 C ATOM 403 C ALA A 28 -6.796 -1.504 -0.672 1.00 24.23 C ATOM 404 O ALA A 28 -6.127 -2.463 -0.285 1.00 31.10 O ATOM 405 CB ALA A 28 -9.221 -1.518 -0.062 1.00 14.40 C ATOM 0 H ALA A 28 -8.872 -3.690 -1.222 1.00 73.54 H new ATOM 0 HA ALA A 28 -8.403 -0.946 -1.954 1.00 10.25 H new ATOM 0 HB1 ALA A 28 -9.091 -0.533 0.386 1.00 14.40 H new ATOM 0 HB2 ALA A 28 -10.233 -1.606 -0.458 1.00 14.40 H new ATOM 0 HB3 ALA A 28 -9.060 -2.285 0.696 1.00 14.40 H new ATOM 411 N PHE A 29 -6.340 -0.256 -0.666 1.00 44.12 N ATOM 412 CA PHE A 29 -4.997 0.065 -0.196 1.00 73.30 C ATOM 413 C PHE A 29 -5.021 1.271 0.739 1.00 54.12 C ATOM 414 O PHE A 29 -6.037 1.958 0.858 1.00 63.44 O ATOM 415 CB PHE A 29 -4.071 0.344 -1.382 1.00 41.44 C ATOM 416 CG PHE A 29 -4.318 1.674 -2.035 1.00 54.11 C ATOM 417 CD1 PHE A 29 -5.524 1.939 -2.665 1.00 40.42 C ATOM 418 CD2 PHE A 29 -3.345 2.660 -2.018 1.00 72.50 C ATOM 419 CE1 PHE A 29 -5.753 3.162 -3.266 1.00 53.51 C ATOM 420 CE2 PHE A 29 -3.568 3.885 -2.618 1.00 75.12 C ATOM 421 CZ PHE A 29 -4.775 4.136 -3.242 1.00 53.12 C ATOM 0 H PHE A 29 -6.880 0.550 -0.981 1.00 44.12 H new ATOM 0 HA PHE A 29 -4.619 -0.794 0.357 1.00 73.30 H new ATOM 0 HB2 PHE A 29 -3.036 0.301 -1.043 1.00 41.44 H new ATOM 0 HB3 PHE A 29 -4.196 -0.445 -2.124 1.00 41.44 H new ATOM 0 HD1 PHE A 29 -6.293 1.181 -2.686 1.00 40.42 H new ATOM 0 HD2 PHE A 29 -2.401 2.469 -1.530 1.00 72.50 H new ATOM 0 HE1 PHE A 29 -6.697 3.356 -3.754 1.00 53.51 H new ATOM 0 HE2 PHE A 29 -2.800 4.644 -2.599 1.00 75.12 H new ATOM 0 HZ PHE A 29 -4.953 5.093 -3.710 1.00 53.12 H new ATOM 430 N LEU A 30 -3.897 1.521 1.401 1.00 40.43 N ATOM 431 CA LEU A 30 -3.789 2.644 2.326 1.00 24.14 C ATOM 432 C LEU A 30 -2.373 3.213 2.328 1.00 31.04 C ATOM 433 O LEU A 30 -1.399 2.479 2.160 1.00 3.12 O ATOM 434 CB LEU A 30 -4.176 2.205 3.739 1.00 21.02 C ATOM 435 CG LEU A 30 -4.262 3.315 4.788 1.00 21.41 C ATOM 436 CD1 LEU A 30 -5.469 3.107 5.688 1.00 54.34 C ATOM 437 CD2 LEU A 30 -2.984 3.370 5.612 1.00 24.24 C ATOM 0 H LEU A 30 -3.048 0.962 1.315 1.00 40.43 H new ATOM 0 HA LEU A 30 -4.474 3.424 1.994 1.00 24.14 H new ATOM 0 HB2 LEU A 30 -5.143 1.704 3.690 1.00 21.02 H new ATOM 0 HB3 LEU A 30 -3.451 1.466 4.080 1.00 21.02 H new ATOM 0 HG LEU A 30 -4.380 4.268 4.272 1.00 21.41 H new ATOM 0 HD11 LEU A 30 -5.513 3.906 6.428 1.00 54.34 H new ATOM 0 HD12 LEU A 30 -6.378 3.119 5.086 1.00 54.34 H new ATOM 0 HD13 LEU A 30 -5.383 2.147 6.196 1.00 54.34 H new ATOM 0 HD21 LEU A 30 -3.063 4.165 6.353 1.00 24.24 H new ATOM 0 HD22 LEU A 30 -2.836 2.416 6.118 1.00 24.24 H new ATOM 0 HD23 LEU A 30 -2.136 3.568 4.956 1.00 24.24 H new ATOM 448 N ILE A 31 -2.268 4.524 2.521 1.00 1.34 N ATOM 449 CA ILE A 31 -0.972 5.189 2.549 1.00 61.34 C ATOM 450 C ILE A 31 -0.668 5.743 3.936 1.00 43.31 C ATOM 451 O ILE A 31 -1.513 6.389 4.557 1.00 23.23 O ATOM 452 CB ILE A 31 -0.907 6.338 1.525 1.00 75.15 C ATOM 453 CG1 ILE A 31 -1.191 5.811 0.116 1.00 0.22 C ATOM 454 CG2 ILE A 31 0.452 7.019 1.577 1.00 52.51 C ATOM 455 CD1 ILE A 31 -1.366 6.904 -0.915 1.00 43.23 C ATOM 0 H ILE A 31 -3.065 5.146 2.660 1.00 1.34 H new ATOM 0 HA ILE A 31 -0.226 4.438 2.289 1.00 61.34 H new ATOM 0 HB ILE A 31 -1.670 7.074 1.779 1.00 75.15 H new ATOM 0 HG12 ILE A 31 -0.372 5.161 -0.192 1.00 0.22 H new ATOM 0 HG13 ILE A 31 -2.092 5.199 0.141 1.00 0.22 H new ATOM 0 HG21 ILE A 31 0.482 7.828 0.848 1.00 52.51 H new ATOM 0 HG22 ILE A 31 0.618 7.424 2.575 1.00 52.51 H new ATOM 0 HG23 ILE A 31 1.232 6.293 1.346 1.00 52.51 H new ATOM 0 HD11 ILE A 31 -1.564 6.457 -1.889 1.00 43.23 H new ATOM 0 HD12 ILE A 31 -2.203 7.541 -0.631 1.00 43.23 H new ATOM 0 HD13 ILE A 31 -0.457 7.502 -0.969 1.00 43.23 H new ATOM 466 N ARG A 32 0.545 5.489 4.416 1.00 72.22 N ATOM 467 CA ARG A 32 0.962 5.962 5.730 1.00 53.52 C ATOM 468 C ARG A 32 2.336 6.621 5.661 1.00 63.24 C ATOM 469 O ARG A 32 3.114 6.361 4.743 1.00 71.13 O ATOM 470 CB ARG A 32 0.989 4.804 6.729 1.00 20.31 C ATOM 471 CG ARG A 32 2.170 3.865 6.539 1.00 4.53 C ATOM 472 CD ARG A 32 1.721 2.415 6.452 1.00 64.44 C ATOM 473 NE ARG A 32 2.843 1.488 6.561 1.00 24.34 N ATOM 474 CZ ARG A 32 2.738 0.179 6.358 1.00 2.24 C ATOM 475 NH1 ARG A 32 1.566 -0.353 6.038 1.00 30.31 N ATOM 476 NH2 ARG A 32 3.805 -0.601 6.477 1.00 43.32 N ATOM 0 H ARG A 32 1.256 4.958 3.914 1.00 72.22 H new ATOM 0 HA ARG A 32 0.239 6.705 6.066 1.00 53.52 H new ATOM 0 HB2 ARG A 32 1.016 5.208 7.741 1.00 20.31 H new ATOM 0 HB3 ARG A 32 0.064 4.235 6.638 1.00 20.31 H new ATOM 0 HG2 ARG A 32 2.709 4.135 5.631 1.00 4.53 H new ATOM 0 HG3 ARG A 32 2.866 3.982 7.369 1.00 4.53 H new ATOM 0 HD2 ARG A 32 1.003 2.210 7.246 1.00 64.44 H new ATOM 0 HD3 ARG A 32 1.206 2.251 5.505 1.00 64.44 H new ATOM 0 HE ARG A 32 3.758 1.866 6.807 1.00 24.34 H new ATOM 0 HH11 ARG A 32 0.743 0.243 5.947 1.00 30.31 H new ATOM 0 HH12 ARG A 32 1.488 -1.358 5.883 1.00 30.31 H new ATOM 0 HH21 ARG A 32 4.708 -0.196 6.725 1.00 43.32 H new ATOM 0 HH22 ARG A 32 3.722 -1.606 6.321 1.00 43.32 H new ATOM 487 N ASP A 33 2.628 7.474 6.636 1.00 43.34 N ATOM 488 CA ASP A 33 3.909 8.170 6.685 1.00 51.51 C ATOM 489 C ASP A 33 5.032 7.214 7.074 1.00 74.14 C ATOM 490 O ASP A 33 5.010 6.620 8.152 1.00 65.02 O ATOM 491 CB ASP A 33 3.844 9.331 7.679 1.00 2.22 C ATOM 492 CG ASP A 33 5.123 10.145 7.702 1.00 45.40 C ATOM 493 OD1 ASP A 33 5.798 10.218 6.654 1.00 30.20 O ATOM 494 OD2 ASP A 33 5.450 10.708 8.768 1.00 54.30 O ATOM 0 H ASP A 33 1.995 7.701 7.403 1.00 43.34 H new ATOM 0 HA ASP A 33 4.119 8.564 5.691 1.00 51.51 H new ATOM 0 HB2 ASP A 33 3.008 9.981 7.420 1.00 2.22 H new ATOM 0 HB3 ASP A 33 3.647 8.940 8.677 1.00 2.22 H new ATOM 498 N SER A 34 6.011 7.068 6.187 1.00 71.04 N ATOM 499 CA SER A 34 7.140 6.180 6.435 1.00 25.41 C ATOM 500 C SER A 34 8.284 6.930 7.112 1.00 53.42 C ATOM 501 O SER A 34 9.138 7.515 6.446 1.00 23.12 O ATOM 502 CB SER A 34 7.628 5.562 5.123 1.00 32.42 C ATOM 503 OG SER A 34 8.081 4.234 5.322 1.00 33.10 O ATOM 0 H SER A 34 6.045 7.553 5.290 1.00 71.04 H new ATOM 0 HA SER A 34 6.805 5.385 7.101 1.00 25.41 H new ATOM 0 HB2 SER A 34 6.820 5.568 4.392 1.00 32.42 H new ATOM 0 HB3 SER A 34 8.435 6.167 4.711 1.00 32.42 H new ATOM 0 HG SER A 34 8.386 3.861 4.469 1.00 33.10 H new ATOM 508 N HIS A 35 8.292 6.909 8.441 1.00 10.11 N ATOM 509 CA HIS A 35 9.329 7.586 9.211 1.00 70.15 C ATOM 510 C HIS A 35 10.644 6.814 9.148 1.00 11.53 C ATOM 511 O HIS A 35 11.693 7.322 9.543 1.00 11.41 O ATOM 512 CB HIS A 35 8.889 7.752 10.665 1.00 53.00 C ATOM 513 CG HIS A 35 8.847 9.178 11.119 1.00 41.43 C ATOM 514 ND1 HIS A 35 7.759 9.731 11.762 1.00 43.43 N ATOM 515 CD2 HIS A 35 9.767 10.167 11.022 1.00 11.44 C ATOM 516 CE1 HIS A 35 8.011 10.998 12.039 1.00 72.24 C ATOM 517 NE2 HIS A 35 9.223 11.287 11.601 1.00 12.22 N ATOM 0 H HIS A 35 7.592 6.430 9.007 1.00 10.11 H new ATOM 0 HA HIS A 35 9.486 8.572 8.774 1.00 70.15 H new ATOM 0 HB2 HIS A 35 7.900 7.311 10.789 1.00 53.00 H new ATOM 0 HB3 HIS A 35 9.570 7.195 11.308 1.00 53.00 H new ATOM 0 HD2 HIS A 35 10.746 10.089 10.573 1.00 11.44 H new ATOM 0 HE1 HIS A 35 7.340 11.681 12.539 1.00 72.24 H new ATOM 0 HE2 HIS A 35 9.681 12.195 11.680 1.00 12.22 H new ATOM 524 N SER A 36 10.577 5.583 8.652 1.00 21.51 N ATOM 525 CA SER A 36 11.761 4.738 8.543 1.00 13.12 C ATOM 526 C SER A 36 12.870 5.454 7.777 1.00 35.55 C ATOM 527 O SER A 36 13.897 5.822 8.348 1.00 2.42 O ATOM 528 CB SER A 36 11.412 3.421 7.845 1.00 50.42 C ATOM 529 OG SER A 36 11.205 2.384 8.789 1.00 65.15 O ATOM 0 H SER A 36 9.716 5.148 8.319 1.00 21.51 H new ATOM 0 HA SER A 36 12.118 4.523 9.550 1.00 13.12 H new ATOM 0 HB2 SER A 36 10.514 3.552 7.241 1.00 50.42 H new ATOM 0 HB3 SER A 36 12.216 3.142 7.164 1.00 50.42 H new ATOM 0 HG SER A 36 10.982 1.554 8.319 1.00 65.15 H new ATOM 534 N PHE A 37 12.656 5.646 6.480 1.00 14.42 N ATOM 535 CA PHE A 37 13.637 6.316 5.634 1.00 20.13 C ATOM 536 C PHE A 37 13.080 7.628 5.089 1.00 4.44 C ATOM 537 O PHE A 37 11.885 7.739 4.815 1.00 45.41 O ATOM 538 CB PHE A 37 14.051 5.405 4.476 1.00 2.55 C ATOM 539 CG PHE A 37 15.456 4.887 4.595 1.00 30.41 C ATOM 540 CD1 PHE A 37 16.538 5.733 4.412 1.00 21.43 C ATOM 541 CD2 PHE A 37 15.695 3.554 4.887 1.00 52.50 C ATOM 542 CE1 PHE A 37 17.832 5.259 4.520 1.00 11.30 C ATOM 543 CE2 PHE A 37 16.986 3.075 4.997 1.00 63.20 C ATOM 544 CZ PHE A 37 18.057 3.928 4.813 1.00 52.23 C ATOM 0 H PHE A 37 11.812 5.347 5.991 1.00 14.42 H new ATOM 0 HA PHE A 37 14.513 6.539 6.243 1.00 20.13 H new ATOM 0 HB2 PHE A 37 13.364 4.560 4.425 1.00 2.55 H new ATOM 0 HB3 PHE A 37 13.952 5.954 3.539 1.00 2.55 H new ATOM 0 HD1 PHE A 37 16.368 6.775 4.182 1.00 21.43 H new ATOM 0 HD2 PHE A 37 14.862 2.881 5.030 1.00 52.50 H new ATOM 0 HE1 PHE A 37 18.667 5.929 4.375 1.00 11.30 H new ATOM 0 HE2 PHE A 37 17.158 2.034 5.227 1.00 63.20 H new ATOM 0 HZ PHE A 37 19.067 3.555 4.898 1.00 52.23 H new ATOM 553 N GLN A 38 13.954 8.617 4.936 1.00 2.34 N ATOM 554 CA GLN A 38 13.550 9.922 4.426 1.00 3.25 C ATOM 555 C GLN A 38 12.977 9.801 3.018 1.00 42.21 C ATOM 556 O GLN A 38 13.479 9.036 2.196 1.00 42.32 O ATOM 557 CB GLN A 38 14.739 10.884 4.426 1.00 62.24 C ATOM 558 CG GLN A 38 14.855 11.709 5.697 1.00 75.23 C ATOM 559 CD GLN A 38 16.007 12.693 5.652 1.00 73.24 C ATOM 560 OE1 GLN A 38 15.802 13.902 5.544 1.00 70.41 O ATOM 561 NE2 GLN A 38 17.229 12.179 5.733 1.00 12.23 N ATOM 0 H GLN A 38 14.947 8.540 5.158 1.00 2.34 H new ATOM 0 HA GLN A 38 12.774 10.317 5.082 1.00 3.25 H new ATOM 0 HB2 GLN A 38 15.657 10.313 4.288 1.00 62.24 H new ATOM 0 HB3 GLN A 38 14.651 11.557 3.573 1.00 62.24 H new ATOM 0 HG2 GLN A 38 13.924 12.253 5.859 1.00 75.23 H new ATOM 0 HG3 GLN A 38 14.986 11.041 6.548 1.00 75.23 H new ATOM 0 HE21 GLN A 38 17.353 11.170 5.822 1.00 12.23 H new ATOM 0 HE22 GLN A 38 18.043 12.793 5.707 1.00 12.23 H new ATOM 568 N GLY A 39 11.921 10.563 2.746 1.00 60.52 N ATOM 569 CA GLY A 39 11.297 10.526 1.436 1.00 63.00 C ATOM 570 C GLY A 39 10.739 9.158 1.099 1.00 42.04 C ATOM 571 O GLY A 39 10.856 8.695 -0.036 1.00 2.53 O ATOM 0 H GLY A 39 11.487 11.205 3.409 1.00 60.52 H new ATOM 0 HA2 GLY A 39 10.494 11.262 1.398 1.00 63.00 H new ATOM 0 HA3 GLY A 39 12.028 10.813 0.680 1.00 63.00 H new ATOM 575 N ALA A 40 10.131 8.509 2.086 1.00 54.32 N ATOM 576 CA ALA A 40 9.552 7.186 1.887 1.00 11.32 C ATOM 577 C ALA A 40 8.106 7.142 2.371 1.00 52.30 C ATOM 578 O ALA A 40 7.738 7.831 3.322 1.00 51.13 O ATOM 579 CB ALA A 40 10.382 6.133 2.605 1.00 31.42 C ATOM 0 H ALA A 40 10.026 8.878 3.031 1.00 54.32 H new ATOM 0 HA ALA A 40 9.558 6.971 0.818 1.00 11.32 H new ATOM 0 HB1 ALA A 40 9.938 5.150 2.448 1.00 31.42 H new ATOM 0 HB2 ALA A 40 11.398 6.139 2.211 1.00 31.42 H new ATOM 0 HB3 ALA A 40 10.406 6.354 3.672 1.00 31.42 H new ATOM 585 N TYR A 41 7.292 6.327 1.710 1.00 15.32 N ATOM 586 CA TYR A 41 5.884 6.195 2.071 1.00 32.14 C ATOM 587 C TYR A 41 5.484 4.727 2.173 1.00 14.42 C ATOM 588 O TYR A 41 5.880 3.904 1.349 1.00 4.04 O ATOM 589 CB TYR A 41 5.004 6.906 1.042 1.00 32.14 C ATOM 590 CG TYR A 41 4.707 8.347 1.390 1.00 34.23 C ATOM 591 CD1 TYR A 41 5.608 9.357 1.075 1.00 5.22 C ATOM 592 CD2 TYR A 41 3.527 8.698 2.035 1.00 22.54 C ATOM 593 CE1 TYR A 41 5.342 10.675 1.393 1.00 75.41 C ATOM 594 CE2 TYR A 41 3.253 10.014 2.354 1.00 71.40 C ATOM 595 CZ TYR A 41 4.163 10.999 2.031 1.00 22.55 C ATOM 596 OH TYR A 41 3.894 12.309 2.348 1.00 41.31 O ATOM 0 H TYR A 41 7.582 5.748 0.922 1.00 15.32 H new ATOM 0 HA TYR A 41 5.739 6.660 3.046 1.00 32.14 H new ATOM 0 HB2 TYR A 41 5.495 6.870 0.070 1.00 32.14 H new ATOM 0 HB3 TYR A 41 4.064 6.364 0.944 1.00 32.14 H new ATOM 0 HD1 TYR A 41 6.531 9.108 0.573 1.00 5.22 H new ATOM 0 HD2 TYR A 41 2.813 7.930 2.291 1.00 22.54 H new ATOM 0 HE1 TYR A 41 6.054 11.448 1.143 1.00 75.41 H new ATOM 0 HE2 TYR A 41 2.331 10.270 2.854 1.00 71.40 H new ATOM 0 HH TYR A 41 2.956 12.394 2.619 1.00 41.31 H new ATOM 605 N GLY A 42 4.692 4.405 3.193 1.00 43.14 N ATOM 606 CA GLY A 42 4.249 3.036 3.385 1.00 62.13 C ATOM 607 C GLY A 42 2.962 2.734 2.644 1.00 12.01 C ATOM 608 O GLY A 42 1.923 3.335 2.920 1.00 10.21 O ATOM 0 H GLY A 42 4.350 5.068 3.889 1.00 43.14 H new ATOM 0 HA2 GLY A 42 5.029 2.354 3.046 1.00 62.13 H new ATOM 0 HA3 GLY A 42 4.104 2.850 4.449 1.00 62.13 H new ATOM 612 N LEU A 43 3.030 1.802 1.701 1.00 71.41 N ATOM 613 CA LEU A 43 1.861 1.422 0.916 1.00 72.15 C ATOM 614 C LEU A 43 1.383 0.022 1.292 1.00 41.25 C ATOM 615 O LEU A 43 2.133 -0.948 1.190 1.00 45.23 O ATOM 616 CB LEU A 43 2.185 1.477 -0.579 1.00 55.44 C ATOM 617 CG LEU A 43 1.086 0.987 -1.522 1.00 31.12 C ATOM 618 CD1 LEU A 43 0.146 2.125 -1.885 1.00 13.41 C ATOM 619 CD2 LEU A 43 1.695 0.375 -2.776 1.00 53.10 C ATOM 0 H LEU A 43 3.882 1.295 1.461 1.00 71.41 H new ATOM 0 HA LEU A 43 1.062 2.130 1.135 1.00 72.15 H new ATOM 0 HB2 LEU A 43 2.428 2.507 -0.840 1.00 55.44 H new ATOM 0 HB3 LEU A 43 3.081 0.883 -0.758 1.00 55.44 H new ATOM 0 HG LEU A 43 0.509 0.218 -1.008 1.00 31.12 H new ATOM 0 HD11 LEU A 43 -0.629 1.756 -2.557 1.00 13.41 H new ATOM 0 HD12 LEU A 43 -0.316 2.519 -0.979 1.00 13.41 H new ATOM 0 HD13 LEU A 43 0.708 2.917 -2.380 1.00 13.41 H new ATOM 0 HD21 LEU A 43 0.899 0.031 -3.437 1.00 53.10 H new ATOM 0 HD22 LEU A 43 2.296 1.124 -3.291 1.00 53.10 H new ATOM 0 HD23 LEU A 43 2.327 -0.469 -2.499 1.00 53.10 H new ATOM 630 N ALA A 44 0.130 -0.072 1.725 1.00 22.33 N ATOM 631 CA ALA A 44 -0.448 -1.353 2.113 1.00 14.41 C ATOM 632 C ALA A 44 -1.593 -1.742 1.184 1.00 53.24 C ATOM 633 O ALA A 44 -2.396 -0.898 0.784 1.00 53.44 O ATOM 634 CB ALA A 44 -0.932 -1.299 3.554 1.00 22.24 C ATOM 0 H ALA A 44 -0.503 0.722 1.816 1.00 22.33 H new ATOM 0 HA ALA A 44 0.328 -2.114 2.030 1.00 14.41 H new ATOM 0 HB1 ALA A 44 -1.361 -2.262 3.830 1.00 22.24 H new ATOM 0 HB2 ALA A 44 -0.092 -1.074 4.212 1.00 22.24 H new ATOM 0 HB3 ALA A 44 -1.690 -0.522 3.654 1.00 22.24 H new ATOM 640 N LEU A 45 -1.663 -3.024 0.842 1.00 52.30 N ATOM 641 CA LEU A 45 -2.710 -3.524 -0.041 1.00 34.31 C ATOM 642 C LEU A 45 -3.295 -4.828 0.492 1.00 52.40 C ATOM 643 O LEU A 45 -2.573 -5.678 1.015 1.00 54.43 O ATOM 644 CB LEU A 45 -2.156 -3.740 -1.450 1.00 71.22 C ATOM 645 CG LEU A 45 -3.116 -4.368 -2.461 1.00 11.32 C ATOM 646 CD1 LEU A 45 -4.080 -3.323 -3.002 1.00 73.34 C ATOM 647 CD2 LEU A 45 -2.343 -5.023 -3.596 1.00 61.13 C ATOM 0 H LEU A 45 -1.007 -3.736 1.163 1.00 52.30 H new ATOM 0 HA LEU A 45 -3.505 -2.779 -0.079 1.00 34.31 H new ATOM 0 HB2 LEU A 45 -1.828 -2.777 -1.841 1.00 71.22 H new ATOM 0 HB3 LEU A 45 -1.272 -4.373 -1.378 1.00 71.22 H new ATOM 0 HG LEU A 45 -3.696 -5.138 -1.952 1.00 11.32 H new ATOM 0 HD11 LEU A 45 -4.755 -3.788 -3.720 1.00 73.34 H new ATOM 0 HD12 LEU A 45 -4.658 -2.901 -2.180 1.00 73.34 H new ATOM 0 HD13 LEU A 45 -3.518 -2.530 -3.494 1.00 73.34 H new ATOM 0 HD21 LEU A 45 -3.043 -5.464 -4.306 1.00 61.13 H new ATOM 0 HD22 LEU A 45 -1.736 -4.273 -4.103 1.00 61.13 H new ATOM 0 HD23 LEU A 45 -1.695 -5.802 -3.193 1.00 61.13 H new ATOM 658 N LYS A 46 -4.608 -4.982 0.355 1.00 70.35 N ATOM 659 CA LYS A 46 -5.291 -6.182 0.819 1.00 35.32 C ATOM 660 C LYS A 46 -5.623 -7.106 -0.349 1.00 40.13 C ATOM 661 O LYS A 46 -6.103 -6.657 -1.391 1.00 24.41 O ATOM 662 CB LYS A 46 -6.572 -5.809 1.568 1.00 54.24 C ATOM 663 CG LYS A 46 -6.943 -6.789 2.667 1.00 51.02 C ATOM 664 CD LYS A 46 -8.357 -7.317 2.489 1.00 5.52 C ATOM 665 CE LYS A 46 -8.689 -8.380 3.525 1.00 24.35 C ATOM 666 NZ LYS A 46 -9.931 -8.052 4.279 1.00 64.31 N ATOM 0 H LYS A 46 -5.220 -4.289 -0.075 1.00 70.35 H new ATOM 0 HA LYS A 46 -4.622 -6.710 1.498 1.00 35.32 H new ATOM 0 HB2 LYS A 46 -6.452 -4.817 2.003 1.00 54.24 H new ATOM 0 HB3 LYS A 46 -7.394 -5.747 0.855 1.00 54.24 H new ATOM 0 HG2 LYS A 46 -6.240 -7.622 2.666 1.00 51.02 H new ATOM 0 HG3 LYS A 46 -6.856 -6.300 3.637 1.00 51.02 H new ATOM 0 HD2 LYS A 46 -9.067 -6.494 2.570 1.00 5.52 H new ATOM 0 HD3 LYS A 46 -8.467 -7.735 1.489 1.00 5.52 H new ATOM 0 HE2 LYS A 46 -8.808 -9.344 3.031 1.00 24.35 H new ATOM 0 HE3 LYS A 46 -7.857 -8.480 4.222 1.00 24.35 H new ATOM 0 HZ1 LYS A 46 -9.980 -8.635 5.139 1.00 64.31 H new ATOM 0 HZ2 LYS A 46 -9.921 -7.046 4.543 1.00 64.31 H new ATOM 0 HZ3 LYS A 46 -10.761 -8.245 3.682 1.00 64.31 H new ATOM 676 N VAL A 47 -5.367 -8.397 -0.169 1.00 2.04 N ATOM 677 CA VAL A 47 -5.642 -9.384 -1.206 1.00 22.50 C ATOM 678 C VAL A 47 -6.340 -10.610 -0.629 1.00 42.32 C ATOM 679 O VAL A 47 -6.151 -10.953 0.537 1.00 2.54 O ATOM 680 CB VAL A 47 -4.347 -9.830 -1.913 1.00 73.11 C ATOM 681 CG1 VAL A 47 -3.848 -8.741 -2.850 1.00 74.13 C ATOM 682 CG2 VAL A 47 -3.281 -10.195 -0.890 1.00 60.23 C ATOM 0 H VAL A 47 -4.969 -8.785 0.686 1.00 2.04 H new ATOM 0 HA VAL A 47 -6.299 -8.905 -1.932 1.00 22.50 H new ATOM 0 HB VAL A 47 -4.565 -10.716 -2.509 1.00 73.11 H new ATOM 0 HG11 VAL A 47 -2.933 -9.074 -3.340 1.00 74.13 H new ATOM 0 HG12 VAL A 47 -4.608 -8.533 -3.603 1.00 74.13 H new ATOM 0 HG13 VAL A 47 -3.645 -7.835 -2.279 1.00 74.13 H new ATOM 0 HG21 VAL A 47 -2.373 -10.508 -1.406 1.00 60.23 H new ATOM 0 HG22 VAL A 47 -3.063 -9.328 -0.266 1.00 60.23 H new ATOM 0 HG23 VAL A 47 -3.642 -11.011 -0.264 1.00 60.23 H new ATOM 692 N ALA A 48 -7.148 -11.267 -1.454 1.00 54.32 N ATOM 693 CA ALA A 48 -7.874 -12.457 -1.026 1.00 62.05 C ATOM 694 C ALA A 48 -7.144 -13.727 -1.449 1.00 51.14 C ATOM 695 O ALA A 48 -7.770 -14.731 -1.792 1.00 62.34 O ATOM 696 CB ALA A 48 -9.287 -12.444 -1.591 1.00 51.31 C ATOM 0 H ALA A 48 -7.317 -10.996 -2.423 1.00 54.32 H new ATOM 0 HA ALA A 48 -7.930 -12.447 0.063 1.00 62.05 H new ATOM 0 HB1 ALA A 48 -9.818 -13.338 -1.264 1.00 51.31 H new ATOM 0 HB2 ALA A 48 -9.813 -11.559 -1.235 1.00 51.31 H new ATOM 0 HB3 ALA A 48 -9.243 -12.426 -2.680 1.00 51.31 H new ATOM 702 N THR A 49 -5.816 -13.676 -1.426 1.00 2.23 N ATOM 703 CA THR A 49 -5.001 -14.822 -1.808 1.00 71.11 C ATOM 704 C THR A 49 -3.575 -14.682 -1.287 1.00 1.11 C ATOM 705 O THR A 49 -3.110 -13.587 -0.967 1.00 55.33 O ATOM 706 CB THR A 49 -4.960 -14.996 -3.339 1.00 1.30 C ATOM 707 OG1 THR A 49 -5.344 -13.775 -3.981 1.00 22.10 O ATOM 708 CG2 THR A 49 -5.886 -16.120 -3.779 1.00 75.30 C ATOM 0 H THR A 49 -5.282 -12.853 -1.147 1.00 2.23 H new ATOM 0 HA THR A 49 -5.464 -15.702 -1.360 1.00 71.11 H new ATOM 0 HB THR A 49 -3.941 -15.252 -3.628 1.00 1.30 H new ATOM 0 HG1 THR A 49 -5.314 -13.893 -4.953 1.00 22.10 H new ATOM 0 HG21 THR A 49 -5.841 -16.225 -4.863 1.00 75.30 H new ATOM 0 HG22 THR A 49 -5.573 -17.053 -3.311 1.00 75.30 H new ATOM 0 HG23 THR A 49 -6.908 -15.888 -3.479 1.00 75.30 H new ATOM 716 N PRO A 50 -2.863 -15.815 -1.197 1.00 2.11 N ATOM 717 CA PRO A 50 -1.479 -15.843 -0.715 1.00 30.22 C ATOM 718 C PRO A 50 -0.509 -15.196 -1.698 1.00 0.22 C ATOM 719 O PRO A 50 -0.847 -14.920 -2.849 1.00 50.12 O ATOM 720 CB PRO A 50 -1.182 -17.339 -0.578 1.00 60.22 C ATOM 721 CG PRO A 50 -2.110 -17.999 -1.539 1.00 41.11 C ATOM 722 CD PRO A 50 -3.354 -17.155 -1.559 1.00 72.24 C ATOM 0 HA PRO A 50 -1.359 -15.283 0.213 1.00 30.22 H new ATOM 0 HB2 PRO A 50 -0.142 -17.560 -0.817 1.00 60.22 H new ATOM 0 HB3 PRO A 50 -1.355 -17.685 0.441 1.00 60.22 H new ATOM 0 HG2 PRO A 50 -1.664 -18.061 -2.532 1.00 41.11 H new ATOM 0 HG3 PRO A 50 -2.335 -19.019 -1.226 1.00 41.11 H new ATOM 0 HD2 PRO A 50 -3.826 -17.158 -2.542 1.00 72.24 H new ATOM 0 HD3 PRO A 50 -4.096 -17.517 -0.848 1.00 72.24 H new ATOM 727 N PRO A 51 0.725 -14.948 -1.236 1.00 25.33 N ATOM 728 CA PRO A 51 1.769 -14.331 -2.059 1.00 62.31 C ATOM 729 C PRO A 51 2.263 -15.261 -3.162 1.00 75.43 C ATOM 730 O PRO A 51 1.974 -16.457 -3.174 1.00 12.11 O ATOM 731 CB PRO A 51 2.891 -14.048 -1.057 1.00 10.22 C ATOM 732 CG PRO A 51 2.684 -15.041 0.034 1.00 55.54 C ATOM 733 CD PRO A 51 1.197 -15.251 0.126 1.00 31.22 C ATOM 0 HA PRO A 51 1.407 -13.443 -2.577 1.00 62.31 H new ATOM 0 HB2 PRO A 51 3.872 -14.165 -1.518 1.00 10.22 H new ATOM 0 HB3 PRO A 51 2.836 -13.027 -0.679 1.00 10.22 H new ATOM 0 HG2 PRO A 51 3.197 -15.977 -0.187 1.00 55.54 H new ATOM 0 HG3 PRO A 51 3.085 -14.673 0.978 1.00 55.54 H new ATOM 0 HD2 PRO A 51 0.953 -16.272 0.418 1.00 31.22 H new ATOM 0 HD3 PRO A 51 0.743 -14.591 0.865 1.00 31.22 H new ATOM 738 N PRO A 52 3.026 -14.700 -4.112 1.00 21.23 N ATOM 739 CA PRO A 52 3.577 -15.462 -5.237 1.00 34.34 C ATOM 740 C PRO A 52 4.665 -16.436 -4.800 1.00 24.54 C ATOM 741 O PRO A 52 5.027 -17.351 -5.540 1.00 44.03 O ATOM 742 CB PRO A 52 4.162 -14.379 -6.146 1.00 71.14 C ATOM 743 CG PRO A 52 4.463 -13.241 -5.234 1.00 45.14 C ATOM 744 CD PRO A 52 3.411 -13.280 -4.162 1.00 51.13 C ATOM 0 HA PRO A 52 2.820 -16.080 -5.720 1.00 34.34 H new ATOM 0 HB2 PRO A 52 5.062 -14.730 -6.651 1.00 71.14 H new ATOM 0 HB3 PRO A 52 3.454 -14.088 -6.922 1.00 71.14 H new ATOM 0 HG2 PRO A 52 5.461 -13.338 -4.805 1.00 45.14 H new ATOM 0 HG3 PRO A 52 4.438 -12.293 -5.771 1.00 45.14 H new ATOM 0 HD2 PRO A 52 3.801 -12.936 -3.204 1.00 51.13 H new ATOM 0 HD3 PRO A 52 2.562 -12.642 -4.409 1.00 51.13 H new ATOM 749 N SER A 53 5.183 -16.234 -3.592 1.00 22.11 N ATOM 750 CA SER A 53 6.234 -17.093 -3.057 1.00 33.43 C ATOM 751 C SER A 53 5.636 -18.311 -2.360 1.00 21.21 C ATOM 752 O SER A 53 6.210 -19.399 -2.387 1.00 60.41 O ATOM 753 CB SER A 53 7.113 -16.312 -2.080 1.00 41.54 C ATOM 754 OG SER A 53 8.115 -15.582 -2.767 1.00 10.24 O ATOM 0 H SER A 53 4.892 -15.483 -2.966 1.00 22.11 H new ATOM 0 HA SER A 53 6.848 -17.437 -3.890 1.00 33.43 H new ATOM 0 HB2 SER A 53 6.496 -15.628 -1.497 1.00 41.54 H new ATOM 0 HB3 SER A 53 7.579 -17.000 -1.375 1.00 41.54 H new ATOM 0 HG SER A 53 8.663 -15.090 -2.120 1.00 10.24 H new ATOM 759 N ALA A 54 4.479 -18.120 -1.735 1.00 64.34 N ATOM 760 CA ALA A 54 3.802 -19.202 -1.031 1.00 54.24 C ATOM 761 C ALA A 54 4.735 -19.875 -0.031 1.00 43.34 C ATOM 762 O ALA A 54 5.189 -20.997 -0.251 1.00 4.44 O ATOM 763 CB ALA A 54 3.266 -20.222 -2.024 1.00 35.42 C ATOM 0 H ALA A 54 3.991 -17.225 -1.702 1.00 64.34 H new ATOM 0 HA ALA A 54 2.966 -18.775 -0.477 1.00 54.24 H new ATOM 0 HB1 ALA A 54 2.763 -21.025 -1.485 1.00 35.42 H new ATOM 0 HB2 ALA A 54 2.559 -19.738 -2.697 1.00 35.42 H new ATOM 0 HB3 ALA A 54 4.092 -20.636 -2.602 1.00 35.42 H new ATOM 769 N GLN A 55 5.018 -19.180 1.067 1.00 12.24 N ATOM 770 CA GLN A 55 5.898 -19.712 2.101 1.00 70.44 C ATOM 771 C GLN A 55 5.139 -19.929 3.404 1.00 14.33 C ATOM 772 O GLN A 55 5.303 -19.194 4.378 1.00 45.05 O ATOM 773 CB GLN A 55 7.075 -18.763 2.335 1.00 64.25 C ATOM 774 CG GLN A 55 6.663 -17.305 2.472 1.00 3.21 C ATOM 775 CD GLN A 55 7.334 -16.617 3.644 1.00 1.14 C ATOM 776 OE1 GLN A 55 8.474 -16.163 3.543 1.00 24.44 O ATOM 777 NE2 GLN A 55 6.630 -16.537 4.767 1.00 54.53 N ATOM 0 H GLN A 55 4.651 -18.249 1.263 1.00 12.24 H new ATOM 0 HA GLN A 55 6.278 -20.675 1.759 1.00 70.44 H new ATOM 0 HB2 GLN A 55 7.604 -19.069 3.238 1.00 64.25 H new ATOM 0 HB3 GLN A 55 7.777 -18.857 1.507 1.00 64.25 H new ATOM 0 HG2 GLN A 55 6.911 -16.773 1.553 1.00 3.21 H new ATOM 0 HG3 GLN A 55 5.581 -17.247 2.592 1.00 3.21 H new ATOM 0 HE21 GLN A 55 5.688 -16.927 4.807 1.00 54.53 H new ATOM 0 HE22 GLN A 55 7.031 -16.086 5.589 1.00 54.53 H new ATOM 784 N PRO A 56 4.284 -20.964 3.427 1.00 64.43 N ATOM 785 CA PRO A 56 3.482 -21.302 4.606 1.00 50.01 C ATOM 786 C PRO A 56 4.331 -21.851 5.747 1.00 35.01 C ATOM 787 O PRO A 56 5.430 -22.358 5.526 1.00 23.30 O ATOM 788 CB PRO A 56 2.524 -22.377 4.085 1.00 1.25 C ATOM 789 CG PRO A 56 3.234 -22.989 2.928 1.00 3.32 C ATOM 790 CD PRO A 56 4.038 -21.882 2.303 1.00 71.11 C ATOM 0 HA PRO A 56 2.979 -20.429 5.022 1.00 50.01 H new ATOM 0 HB2 PRO A 56 2.306 -23.119 4.853 1.00 1.25 H new ATOM 0 HB3 PRO A 56 1.571 -21.944 3.781 1.00 1.25 H new ATOM 0 HG2 PRO A 56 3.880 -23.805 3.253 1.00 3.32 H new ATOM 0 HG3 PRO A 56 2.526 -23.409 2.213 1.00 3.32 H new ATOM 0 HD2 PRO A 56 4.970 -22.253 1.876 1.00 71.11 H new ATOM 0 HD3 PRO A 56 3.491 -21.393 1.497 1.00 71.11 H new ATOM 795 N TRP A 57 3.813 -21.748 6.965 1.00 4.15 N ATOM 796 CA TRP A 57 4.526 -22.236 8.142 1.00 55.32 C ATOM 797 C TRP A 57 3.550 -22.757 9.191 1.00 75.24 C ATOM 798 O TRP A 57 3.649 -22.418 10.370 1.00 22.50 O ATOM 799 CB TRP A 57 5.389 -21.123 8.739 1.00 72.34 C ATOM 800 CG TRP A 57 6.584 -21.634 9.484 1.00 24.23 C ATOM 801 CD1 TRP A 57 7.619 -22.365 8.972 1.00 12.43 C ATOM 802 CD2 TRP A 57 6.867 -21.455 10.876 1.00 24.32 C ATOM 803 NE1 TRP A 57 8.527 -22.650 9.962 1.00 70.21 N ATOM 804 CE2 TRP A 57 8.090 -22.102 11.139 1.00 22.30 C ATOM 805 CE3 TRP A 57 6.208 -20.809 11.924 1.00 3.32 C ATOM 806 CZ2 TRP A 57 8.664 -22.122 12.407 1.00 50.21 C ATOM 807 CZ3 TRP A 57 6.779 -20.829 13.183 1.00 41.31 C ATOM 808 CH2 TRP A 57 7.997 -21.481 13.416 1.00 23.24 C ATOM 0 H TRP A 57 2.903 -21.332 7.165 1.00 4.15 H new ATOM 0 HA TRP A 57 5.170 -23.058 7.831 1.00 55.32 H new ATOM 0 HB2 TRP A 57 5.724 -20.463 7.938 1.00 72.34 H new ATOM 0 HB3 TRP A 57 4.779 -20.522 9.413 1.00 72.34 H new ATOM 0 HD1 TRP A 57 7.709 -22.673 7.941 1.00 12.43 H new ATOM 0 HE1 TRP A 57 9.388 -23.184 9.841 1.00 70.21 H new ATOM 0 HE3 TRP A 57 5.269 -20.303 11.754 1.00 3.32 H new ATOM 0 HZ2 TRP A 57 9.602 -22.625 12.588 1.00 50.21 H new ATOM 0 HZ3 TRP A 57 6.277 -20.333 14.001 1.00 41.31 H new ATOM 0 HH2 TRP A 57 8.418 -21.478 14.411 1.00 23.24 H new ATOM 818 N LYS A 58 2.606 -23.585 8.755 1.00 41.30 N ATOM 819 CA LYS A 58 1.612 -24.155 9.658 1.00 72.44 C ATOM 820 C LYS A 58 0.810 -23.057 10.348 1.00 54.04 C ATOM 821 O LYS A 58 0.368 -23.218 11.485 1.00 33.31 O ATOM 822 CB LYS A 58 2.291 -25.040 10.704 1.00 20.13 C ATOM 823 CG LYS A 58 1.589 -26.369 10.926 1.00 4.11 C ATOM 824 CD LYS A 58 2.261 -27.178 12.023 1.00 41.45 C ATOM 825 CE LYS A 58 1.444 -28.408 12.387 1.00 42.20 C ATOM 826 NZ LYS A 58 0.480 -28.128 13.487 1.00 23.14 N ATOM 0 H LYS A 58 2.508 -23.876 7.782 1.00 41.30 H new ATOM 0 HA LYS A 58 0.927 -24.763 9.067 1.00 72.44 H new ATOM 0 HB2 LYS A 58 3.319 -25.229 10.395 1.00 20.13 H new ATOM 0 HB3 LYS A 58 2.336 -24.500 11.650 1.00 20.13 H new ATOM 0 HG2 LYS A 58 0.547 -26.191 11.190 1.00 4.11 H new ATOM 0 HG3 LYS A 58 1.589 -26.941 9.998 1.00 4.11 H new ATOM 0 HD2 LYS A 58 3.254 -27.484 11.695 1.00 41.45 H new ATOM 0 HD3 LYS A 58 2.395 -26.554 12.907 1.00 41.45 H new ATOM 0 HE2 LYS A 58 0.901 -28.756 11.508 1.00 42.20 H new ATOM 0 HE3 LYS A 58 2.114 -29.213 12.688 1.00 42.20 H new ATOM 0 HZ1 LYS A 58 -0.058 -28.991 13.706 1.00 23.14 H new ATOM 0 HZ2 LYS A 58 0.999 -27.820 14.334 1.00 23.14 H new ATOM 0 HZ3 LYS A 58 -0.176 -27.377 13.191 1.00 23.14 H new ATOM 836 N GLY A 59 0.624 -21.939 9.652 1.00 62.34 N ATOM 837 CA GLY A 59 -0.126 -20.831 10.214 1.00 5.43 C ATOM 838 C GLY A 59 -0.623 -19.870 9.153 1.00 42.31 C ATOM 839 O GLY A 59 -1.684 -20.079 8.565 1.00 52.24 O ATOM 0 H GLY A 59 0.979 -21.781 8.709 1.00 62.34 H new ATOM 0 HA2 GLY A 59 -0.976 -21.219 10.775 1.00 5.43 H new ATOM 0 HA3 GLY A 59 0.504 -20.292 10.922 1.00 5.43 H new ATOM 843 N ASP A 60 0.143 -18.813 8.909 1.00 61.31 N ATOM 844 CA ASP A 60 -0.226 -17.815 7.911 1.00 31.11 C ATOM 845 C ASP A 60 -1.528 -17.118 8.295 1.00 12.33 C ATOM 846 O ASP A 60 -2.590 -17.380 7.732 1.00 72.23 O ATOM 847 CB ASP A 60 -0.369 -18.467 6.535 1.00 61.34 C ATOM 848 CG ASP A 60 0.737 -19.464 6.249 1.00 32.22 C ATOM 849 OD1 ASP A 60 1.881 -19.222 6.686 1.00 72.12 O ATOM 850 OD2 ASP A 60 0.458 -20.486 5.588 1.00 13.21 O ATOM 0 H ASP A 60 1.023 -18.625 9.388 1.00 61.31 H new ATOM 0 HA ASP A 60 0.567 -17.068 7.870 1.00 31.11 H new ATOM 0 HB2 ASP A 60 -1.333 -18.971 6.474 1.00 61.34 H new ATOM 0 HB3 ASP A 60 -0.364 -17.693 5.767 1.00 61.34 H new ATOM 854 N PRO A 61 -1.446 -16.211 9.279 1.00 61.23 N ATOM 855 CA PRO A 61 -2.607 -15.458 9.761 1.00 12.34 C ATOM 856 C PRO A 61 -3.109 -14.446 8.736 1.00 73.21 C ATOM 857 O PRO A 61 -2.662 -14.436 7.589 1.00 14.10 O ATOM 858 CB PRO A 61 -2.075 -14.741 11.004 1.00 71.35 C ATOM 859 CG PRO A 61 -0.608 -14.624 10.774 1.00 62.44 C ATOM 860 CD PRO A 61 -0.211 -15.848 9.996 1.00 52.25 C ATOM 0 HA PRO A 61 -3.459 -16.108 9.959 1.00 12.34 H new ATOM 0 HB2 PRO A 61 -2.536 -13.761 11.124 1.00 71.35 H new ATOM 0 HB3 PRO A 61 -2.290 -15.307 11.910 1.00 71.35 H new ATOM 0 HG2 PRO A 61 -0.371 -13.716 10.220 1.00 62.44 H new ATOM 0 HG3 PRO A 61 -0.068 -14.570 11.719 1.00 62.44 H new ATOM 0 HD2 PRO A 61 0.607 -15.638 9.307 1.00 52.25 H new ATOM 0 HD3 PRO A 61 0.123 -16.651 10.653 1.00 52.25 H new ATOM 865 N VAL A 62 -4.040 -13.596 9.157 1.00 1.23 N ATOM 866 CA VAL A 62 -4.601 -12.578 8.276 1.00 33.04 C ATOM 867 C VAL A 62 -3.505 -11.707 7.676 1.00 43.34 C ATOM 868 O VAL A 62 -3.682 -11.115 6.611 1.00 42.14 O ATOM 869 CB VAL A 62 -5.605 -11.681 9.022 1.00 5.52 C ATOM 870 CG1 VAL A 62 -4.892 -10.836 10.067 1.00 11.30 C ATOM 871 CG2 VAL A 62 -6.365 -10.801 8.041 1.00 25.13 C ATOM 0 H VAL A 62 -4.422 -13.592 10.103 1.00 1.23 H new ATOM 0 HA VAL A 62 -5.122 -13.104 7.476 1.00 33.04 H new ATOM 0 HB VAL A 62 -6.325 -12.319 9.535 1.00 5.52 H new ATOM 0 HG11 VAL A 62 -5.618 -10.208 10.584 1.00 11.30 H new ATOM 0 HG12 VAL A 62 -4.398 -11.488 10.787 1.00 11.30 H new ATOM 0 HG13 VAL A 62 -4.149 -10.205 9.579 1.00 11.30 H new ATOM 0 HG21 VAL A 62 -7.070 -10.174 8.586 1.00 25.13 H new ATOM 0 HG22 VAL A 62 -5.662 -10.169 7.498 1.00 25.13 H new ATOM 0 HG23 VAL A 62 -6.908 -11.429 7.335 1.00 25.13 H new ATOM 881 N GLU A 63 -2.371 -11.631 8.366 1.00 20.03 N ATOM 882 CA GLU A 63 -1.245 -10.829 7.900 1.00 22.35 C ATOM 883 C GLU A 63 -0.786 -11.288 6.519 1.00 62.05 C ATOM 884 O GLU A 63 -0.258 -10.498 5.736 1.00 31.24 O ATOM 885 CB GLU A 63 -0.083 -10.918 8.891 1.00 21.31 C ATOM 886 CG GLU A 63 0.646 -9.601 9.093 1.00 45.31 C ATOM 887 CD GLU A 63 1.217 -9.458 10.491 1.00 35.33 C ATOM 888 OE1 GLU A 63 1.753 -10.456 11.017 1.00 72.11 O ATOM 889 OE2 GLU A 63 1.129 -8.350 11.059 1.00 41.22 O ATOM 0 H GLU A 63 -2.208 -12.115 9.249 1.00 20.03 H new ATOM 0 HA GLU A 63 -1.574 -9.792 7.829 1.00 22.35 H new ATOM 0 HB2 GLU A 63 -0.462 -11.265 9.852 1.00 21.31 H new ATOM 0 HB3 GLU A 63 0.627 -11.666 8.539 1.00 21.31 H new ATOM 0 HG2 GLU A 63 1.453 -9.522 8.365 1.00 45.31 H new ATOM 0 HG3 GLU A 63 -0.040 -8.777 8.899 1.00 45.31 H new ATOM 894 N GLN A 64 -0.990 -12.568 6.228 1.00 12.43 N ATOM 895 CA GLN A 64 -0.597 -13.133 4.942 1.00 42.15 C ATOM 896 C GLN A 64 -1.440 -12.550 3.812 1.00 64.52 C ATOM 897 O GLN A 64 -1.005 -12.504 2.660 1.00 33.04 O ATOM 898 CB GLN A 64 -0.735 -14.656 4.965 1.00 44.21 C ATOM 899 CG GLN A 64 0.590 -15.388 4.828 1.00 30.15 C ATOM 900 CD GLN A 64 0.645 -16.269 3.595 1.00 15.44 C ATOM 901 OE1 GLN A 64 1.607 -16.225 2.829 1.00 64.42 O ATOM 902 NE2 GLN A 64 -0.391 -17.077 3.398 1.00 44.21 N ATOM 0 H GLN A 64 -1.426 -13.234 6.866 1.00 12.43 H new ATOM 0 HA GLN A 64 0.447 -12.874 4.764 1.00 42.15 H new ATOM 0 HB2 GLN A 64 -1.211 -14.955 5.899 1.00 44.21 H new ATOM 0 HB3 GLN A 64 -1.397 -14.965 4.156 1.00 44.21 H new ATOM 0 HG2 GLN A 64 1.400 -14.660 4.786 1.00 30.15 H new ATOM 0 HG3 GLN A 64 0.756 -16.000 5.715 1.00 30.15 H new ATOM 0 HE21 GLN A 64 -1.168 -17.081 4.059 1.00 44.21 H new ATOM 0 HE22 GLN A 64 -0.410 -17.694 2.586 1.00 44.21 H new ATOM 909 N LEU A 65 -2.645 -12.106 4.148 1.00 32.32 N ATOM 910 CA LEU A 65 -3.550 -11.527 3.160 1.00 31.41 C ATOM 911 C LEU A 65 -3.321 -10.025 3.027 1.00 34.45 C ATOM 912 O LEU A 65 -4.087 -9.326 2.364 1.00 74.20 O ATOM 913 CB LEU A 65 -5.004 -11.801 3.549 1.00 65.11 C ATOM 914 CG LEU A 65 -5.429 -13.269 3.570 1.00 5.44 C ATOM 915 CD1 LEU A 65 -6.869 -13.401 4.039 1.00 33.34 C ATOM 916 CD2 LEU A 65 -5.253 -13.896 2.195 1.00 61.14 C ATOM 0 H LEU A 65 -3.019 -12.135 5.096 1.00 32.32 H new ATOM 0 HA LEU A 65 -3.344 -11.994 2.197 1.00 31.41 H new ATOM 0 HB2 LEU A 65 -5.180 -11.379 4.538 1.00 65.11 H new ATOM 0 HB3 LEU A 65 -5.652 -11.266 2.854 1.00 65.11 H new ATOM 0 HG LEU A 65 -4.790 -13.802 4.274 1.00 5.44 H new ATOM 0 HD11 LEU A 65 -7.154 -14.453 4.047 1.00 33.34 H new ATOM 0 HD12 LEU A 65 -6.963 -12.991 5.045 1.00 33.34 H new ATOM 0 HD13 LEU A 65 -7.524 -12.853 3.361 1.00 33.34 H new ATOM 0 HD21 LEU A 65 -5.561 -14.941 2.230 1.00 61.14 H new ATOM 0 HD22 LEU A 65 -5.866 -13.361 1.470 1.00 61.14 H new ATOM 0 HD23 LEU A 65 -4.206 -13.836 1.899 1.00 61.14 H new ATOM 927 N VAL A 66 -2.260 -9.536 3.660 1.00 65.21 N ATOM 928 CA VAL A 66 -1.927 -8.117 3.610 1.00 62.15 C ATOM 929 C VAL A 66 -0.467 -7.908 3.224 1.00 4.30 C ATOM 930 O VAL A 66 0.440 -8.401 3.897 1.00 11.44 O ATOM 931 CB VAL A 66 -2.193 -7.430 4.962 1.00 43.15 C ATOM 932 CG1 VAL A 66 -1.939 -5.933 4.860 1.00 41.23 C ATOM 933 CG2 VAL A 66 -3.614 -7.706 5.429 1.00 71.00 C ATOM 0 H VAL A 66 -1.616 -10.101 4.214 1.00 65.21 H new ATOM 0 HA VAL A 66 -2.568 -7.668 2.851 1.00 62.15 H new ATOM 0 HB VAL A 66 -1.505 -7.842 5.700 1.00 43.15 H new ATOM 0 HG11 VAL A 66 -2.132 -5.465 5.825 1.00 41.23 H new ATOM 0 HG12 VAL A 66 -0.902 -5.759 4.573 1.00 41.23 H new ATOM 0 HG13 VAL A 66 -2.601 -5.502 4.109 1.00 41.23 H new ATOM 0 HG21 VAL A 66 -3.785 -7.213 6.386 1.00 71.00 H new ATOM 0 HG22 VAL A 66 -4.320 -7.323 4.692 1.00 71.00 H new ATOM 0 HG23 VAL A 66 -3.757 -8.780 5.544 1.00 71.00 H new ATOM 943 N ARG A 67 -0.245 -7.174 2.139 1.00 50.41 N ATOM 944 CA ARG A 67 1.106 -6.900 1.664 1.00 14.23 C ATOM 945 C ARG A 67 1.438 -5.417 1.795 1.00 10.45 C ATOM 946 O ARG A 67 0.813 -4.571 1.154 1.00 2.11 O ATOM 947 CB ARG A 67 1.255 -7.341 0.207 1.00 65.23 C ATOM 948 CG ARG A 67 2.400 -8.314 -0.020 1.00 64.44 C ATOM 949 CD ARG A 67 1.998 -9.739 0.324 1.00 12.05 C ATOM 950 NE ARG A 67 2.505 -10.152 1.630 1.00 21.01 N ATOM 951 CZ ARG A 67 3.760 -10.530 1.844 1.00 23.13 C ATOM 952 NH1 ARG A 67 4.631 -10.548 0.844 1.00 43.02 N ATOM 953 NH2 ARG A 67 4.147 -10.891 3.061 1.00 22.31 N ATOM 0 H ARG A 67 -0.984 -6.758 1.572 1.00 50.41 H new ATOM 0 HA ARG A 67 1.804 -7.466 2.281 1.00 14.23 H new ATOM 0 HB2 ARG A 67 0.325 -7.805 -0.120 1.00 65.23 H new ATOM 0 HB3 ARG A 67 1.409 -6.460 -0.417 1.00 65.23 H new ATOM 0 HG2 ARG A 67 2.718 -8.266 -1.061 1.00 64.44 H new ATOM 0 HG3 ARG A 67 3.255 -8.019 0.588 1.00 64.44 H new ATOM 0 HD2 ARG A 67 0.911 -9.821 0.315 1.00 12.05 H new ATOM 0 HD3 ARG A 67 2.375 -10.417 -0.442 1.00 12.05 H new ATOM 0 HE ARG A 67 1.860 -10.150 2.420 1.00 21.01 H new ATOM 0 HH11 ARG A 67 4.338 -10.271 -0.093 1.00 43.02 H new ATOM 0 HH12 ARG A 67 5.594 -10.839 1.012 1.00 43.02 H new ATOM 0 HH21 ARG A 67 3.480 -10.878 3.833 1.00 22.31 H new ATOM 0 HH22 ARG A 67 5.111 -11.181 3.224 1.00 22.31 H new ATOM 964 N HIS A 68 2.425 -5.108 2.630 1.00 43.13 N ATOM 965 CA HIS A 68 2.840 -3.727 2.845 1.00 65.25 C ATOM 966 C HIS A 68 4.309 -3.537 2.478 1.00 71.40 C ATOM 967 O HIS A 68 5.182 -4.248 2.978 1.00 52.34 O ATOM 968 CB HIS A 68 2.612 -3.324 4.302 1.00 13.13 C ATOM 969 CG HIS A 68 3.279 -4.234 5.287 1.00 15.43 C ATOM 970 ND1 HIS A 68 2.661 -5.342 5.826 1.00 13.45 N ATOM 971 CD2 HIS A 68 4.519 -4.196 5.828 1.00 30.25 C ATOM 972 CE1 HIS A 68 3.491 -5.946 6.658 1.00 51.03 C ATOM 973 NE2 HIS A 68 4.625 -5.271 6.677 1.00 23.21 N ATOM 0 H HIS A 68 2.952 -5.795 3.169 1.00 43.13 H new ATOM 0 HA HIS A 68 2.236 -3.089 2.200 1.00 65.25 H new ATOM 0 HB2 HIS A 68 2.980 -2.309 4.451 1.00 13.13 H new ATOM 0 HB3 HIS A 68 1.541 -3.308 4.502 1.00 13.13 H new ATOM 0 HD2 HIS A 68 5.283 -3.458 5.629 1.00 30.25 H new ATOM 0 HE1 HIS A 68 3.278 -6.840 7.226 1.00 51.03 H new ATOM 0 HE2 HIS A 68 5.447 -5.509 7.232 1.00 23.21 H new ATOM 980 N PHE A 69 4.574 -2.576 1.599 1.00 63.31 N ATOM 981 CA PHE A 69 5.937 -2.294 1.163 1.00 22.53 C ATOM 982 C PHE A 69 6.241 -0.802 1.258 1.00 31.42 C ATOM 983 O PHE A 69 5.342 0.034 1.156 1.00 63.32 O ATOM 984 CB PHE A 69 6.145 -2.779 -0.273 1.00 62.54 C ATOM 985 CG PHE A 69 5.868 -4.244 -0.458 1.00 43.05 C ATOM 986 CD1 PHE A 69 6.728 -5.196 0.062 1.00 10.02 C ATOM 987 CD2 PHE A 69 4.746 -4.667 -1.152 1.00 55.24 C ATOM 988 CE1 PHE A 69 6.475 -6.544 -0.108 1.00 34.14 C ATOM 989 CE2 PHE A 69 4.487 -6.014 -1.324 1.00 62.52 C ATOM 990 CZ PHE A 69 5.353 -6.954 -0.801 1.00 1.42 C ATOM 0 H PHE A 69 3.863 -1.980 1.175 1.00 63.31 H new ATOM 0 HA PHE A 69 6.621 -2.828 1.822 1.00 22.53 H new ATOM 0 HB2 PHE A 69 5.497 -2.208 -0.938 1.00 62.54 H new ATOM 0 HB3 PHE A 69 7.172 -2.571 -0.573 1.00 62.54 H new ATOM 0 HD1 PHE A 69 7.606 -4.882 0.606 1.00 10.02 H new ATOM 0 HD2 PHE A 69 4.066 -3.936 -1.563 1.00 55.24 H new ATOM 0 HE1 PHE A 69 7.155 -7.277 0.301 1.00 34.14 H new ATOM 0 HE2 PHE A 69 3.609 -6.331 -1.867 1.00 62.52 H new ATOM 0 HZ PHE A 69 5.153 -8.007 -0.934 1.00 1.42 H new ATOM 999 N LEU A 70 7.515 -0.475 1.452 1.00 15.34 N ATOM 1000 CA LEU A 70 7.938 0.917 1.562 1.00 31.53 C ATOM 1001 C LEU A 70 8.504 1.419 0.236 1.00 12.44 C ATOM 1002 O LEU A 70 9.435 0.831 -0.314 1.00 64.42 O ATOM 1003 CB LEU A 70 8.988 1.065 2.666 1.00 53.54 C ATOM 1004 CG LEU A 70 10.335 0.390 2.407 1.00 14.31 C ATOM 1005 CD1 LEU A 70 11.380 1.421 2.011 1.00 32.13 C ATOM 1006 CD2 LEU A 70 10.787 -0.386 3.635 1.00 14.33 C ATOM 0 H LEU A 70 8.272 -1.154 1.536 1.00 15.34 H new ATOM 0 HA LEU A 70 7.065 1.519 1.816 1.00 31.53 H new ATOM 0 HB2 LEU A 70 9.163 2.128 2.833 1.00 53.54 H new ATOM 0 HB3 LEU A 70 8.574 0.661 3.590 1.00 53.54 H new ATOM 0 HG LEU A 70 10.216 -0.312 1.582 1.00 14.31 H new ATOM 0 HD11 LEU A 70 12.333 0.923 1.830 1.00 32.13 H new ATOM 0 HD12 LEU A 70 11.060 1.933 1.103 1.00 32.13 H new ATOM 0 HD13 LEU A 70 11.497 2.148 2.815 1.00 32.13 H new ATOM 0 HD21 LEU A 70 11.747 -0.860 3.433 1.00 14.33 H new ATOM 0 HD22 LEU A 70 10.890 0.296 4.479 1.00 14.33 H new ATOM 0 HD23 LEU A 70 10.048 -1.151 3.874 1.00 14.33 H new ATOM 1017 N ILE A 71 7.934 2.509 -0.268 1.00 24.43 N ATOM 1018 CA ILE A 71 8.384 3.092 -1.526 1.00 31.33 C ATOM 1019 C ILE A 71 9.282 4.300 -1.282 1.00 44.33 C ATOM 1020 O ILE A 71 8.981 5.149 -0.443 1.00 21.03 O ATOM 1021 CB ILE A 71 7.195 3.518 -2.405 1.00 72.14 C ATOM 1022 CG1 ILE A 71 6.111 2.438 -2.394 1.00 43.22 C ATOM 1023 CG2 ILE A 71 7.659 3.795 -3.828 1.00 22.03 C ATOM 1024 CD1 ILE A 71 5.014 2.694 -1.384 1.00 23.12 C ATOM 0 H ILE A 71 7.161 3.005 0.175 1.00 24.43 H new ATOM 0 HA ILE A 71 8.952 2.321 -2.047 1.00 31.33 H new ATOM 0 HB ILE A 71 6.772 4.436 -1.996 1.00 72.14 H new ATOM 0 HG12 ILE A 71 5.669 2.368 -3.388 1.00 43.22 H new ATOM 0 HG13 ILE A 71 6.572 1.474 -2.181 1.00 43.22 H new ATOM 0 HG21 ILE A 71 6.806 4.095 -4.437 1.00 22.03 H new ATOM 0 HG22 ILE A 71 8.399 4.595 -3.820 1.00 22.03 H new ATOM 0 HG23 ILE A 71 8.105 2.893 -4.247 1.00 22.03 H new ATOM 0 HD11 ILE A 71 4.281 1.889 -1.432 1.00 23.12 H new ATOM 0 HD12 ILE A 71 5.443 2.735 -0.383 1.00 23.12 H new ATOM 0 HD13 ILE A 71 4.527 3.643 -1.609 1.00 23.12 H new ATOM 1035 N GLU A 72 10.383 4.373 -2.023 1.00 14.43 N ATOM 1036 CA GLU A 72 11.323 5.479 -1.888 1.00 25.13 C ATOM 1037 C GLU A 72 11.332 6.342 -3.146 1.00 41.14 C ATOM 1038 O GLU A 72 11.245 5.833 -4.264 1.00 5.44 O ATOM 1039 CB GLU A 72 12.731 4.949 -1.609 1.00 41.24 C ATOM 1040 CG GLU A 72 13.789 6.038 -1.541 1.00 41.01 C ATOM 1041 CD GLU A 72 15.128 5.521 -1.053 1.00 65.04 C ATOM 1042 OE1 GLU A 72 15.145 4.496 -0.340 1.00 55.40 O ATOM 1043 OE2 GLU A 72 16.159 6.143 -1.384 1.00 32.31 O ATOM 0 H GLU A 72 10.646 3.679 -2.723 1.00 14.43 H new ATOM 0 HA GLU A 72 11.002 6.095 -1.048 1.00 25.13 H new ATOM 0 HB2 GLU A 72 12.724 4.402 -0.666 1.00 41.24 H new ATOM 0 HB3 GLU A 72 13.003 4.238 -2.389 1.00 41.24 H new ATOM 0 HG2 GLU A 72 13.913 6.481 -2.529 1.00 41.01 H new ATOM 0 HG3 GLU A 72 13.446 6.831 -0.877 1.00 41.01 H new ATOM 1048 N THR A 73 11.437 7.654 -2.956 1.00 31.23 N ATOM 1049 CA THR A 73 11.456 8.589 -4.073 1.00 61.54 C ATOM 1050 C THR A 73 12.793 9.317 -4.158 1.00 14.31 C ATOM 1051 O THR A 73 13.217 9.970 -3.206 1.00 31.14 O ATOM 1052 CB THR A 73 10.325 9.628 -3.955 1.00 52.30 C ATOM 1053 OG1 THR A 73 10.506 10.662 -4.930 1.00 12.53 O ATOM 1054 CG2 THR A 73 10.293 10.237 -2.562 1.00 14.33 C ATOM 0 H THR A 73 11.510 8.093 -2.038 1.00 31.23 H new ATOM 0 HA THR A 73 11.307 8.002 -4.979 1.00 61.54 H new ATOM 0 HB THR A 73 9.376 9.122 -4.135 1.00 52.30 H new ATOM 0 HG1 THR A 73 9.782 11.318 -4.850 1.00 12.53 H new ATOM 0 HG21 THR A 73 9.486 10.968 -2.503 1.00 14.33 H new ATOM 0 HG22 THR A 73 10.126 9.451 -1.825 1.00 14.33 H new ATOM 0 HG23 THR A 73 11.244 10.729 -2.358 1.00 14.33 H new ATOM 1062 N GLY A 74 13.452 9.202 -5.307 1.00 54.31 N ATOM 1063 CA GLY A 74 14.733 9.856 -5.496 1.00 24.42 C ATOM 1064 C GLY A 74 14.789 10.665 -6.776 1.00 21.43 C ATOM 1065 O GLY A 74 13.775 10.899 -7.432 1.00 45.54 O ATOM 0 H GLY A 74 13.121 8.667 -6.110 1.00 54.31 H new ATOM 0 HA2 GLY A 74 14.932 10.511 -4.647 1.00 24.42 H new ATOM 0 HA3 GLY A 74 15.522 9.104 -5.510 1.00 24.42 H new ATOM 1069 N PRO A 75 16.000 11.107 -7.150 1.00 2.51 N ATOM 1070 CA PRO A 75 16.213 11.902 -8.363 1.00 11.31 C ATOM 1071 C PRO A 75 16.012 11.085 -9.634 1.00 35.12 C ATOM 1072 O PRO A 75 16.021 11.625 -10.740 1.00 61.42 O ATOM 1073 CB PRO A 75 17.672 12.351 -8.241 1.00 13.23 C ATOM 1074 CG PRO A 75 18.315 11.320 -7.379 1.00 32.44 C ATOM 1075 CD PRO A 75 17.253 10.865 -6.416 1.00 31.54 C ATOM 0 HA PRO A 75 15.504 12.726 -8.440 1.00 11.31 H new ATOM 0 HB2 PRO A 75 18.152 12.406 -9.218 1.00 13.23 H new ATOM 0 HB3 PRO A 75 17.745 13.342 -7.794 1.00 13.23 H new ATOM 0 HG2 PRO A 75 18.683 10.486 -7.977 1.00 32.44 H new ATOM 0 HG3 PRO A 75 19.172 11.734 -6.848 1.00 32.44 H new ATOM 0 HD2 PRO A 75 17.370 9.813 -6.157 1.00 31.54 H new ATOM 0 HD3 PRO A 75 17.288 11.429 -5.484 1.00 31.54 H new ATOM 1080 N LYS A 76 15.828 9.779 -9.470 1.00 63.22 N ATOM 1081 CA LYS A 76 15.623 8.886 -10.603 1.00 74.24 C ATOM 1082 C LYS A 76 14.184 8.382 -10.646 1.00 13.50 C ATOM 1083 O LYS A 76 13.821 7.578 -11.503 1.00 70.13 O ATOM 1084 CB LYS A 76 16.587 7.700 -10.528 1.00 51.11 C ATOM 1085 CG LYS A 76 18.016 8.054 -10.901 1.00 25.41 C ATOM 1086 CD LYS A 76 18.640 6.991 -11.790 1.00 2.12 C ATOM 1087 CE LYS A 76 20.143 7.185 -11.920 1.00 52.14 C ATOM 1088 NZ LYS A 76 20.861 6.803 -10.672 1.00 61.03 N ATOM 0 H LYS A 76 15.817 9.316 -8.561 1.00 63.22 H new ATOM 0 HA LYS A 76 15.820 9.449 -11.515 1.00 74.24 H new ATOM 0 HB2 LYS A 76 16.574 7.295 -9.516 1.00 51.11 H new ATOM 0 HB3 LYS A 76 16.232 6.911 -11.191 1.00 51.11 H new ATOM 0 HG2 LYS A 76 18.031 9.015 -11.416 1.00 25.41 H new ATOM 0 HG3 LYS A 76 18.612 8.168 -9.995 1.00 25.41 H new ATOM 0 HD2 LYS A 76 18.434 6.003 -11.377 1.00 2.12 H new ATOM 0 HD3 LYS A 76 18.181 7.026 -12.778 1.00 2.12 H new ATOM 0 HE2 LYS A 76 20.516 6.587 -12.751 1.00 52.14 H new ATOM 0 HE3 LYS A 76 20.356 8.227 -12.157 1.00 52.14 H new ATOM 0 HZ1 LYS A 76 21.883 6.753 -10.861 1.00 61.03 H new ATOM 0 HZ2 LYS A 76 20.679 7.514 -9.935 1.00 61.03 H new ATOM 0 HZ3 LYS A 76 20.523 5.874 -10.348 1.00 61.03 H new ATOM 1098 N GLY A 77 13.366 8.863 -9.713 1.00 34.42 N ATOM 1099 CA GLY A 77 11.975 8.450 -9.662 1.00 30.32 C ATOM 1100 C GLY A 77 11.628 7.741 -8.368 1.00 73.03 C ATOM 1101 O GLY A 77 12.487 7.543 -7.510 1.00 25.35 O ATOM 0 H GLY A 77 13.642 9.530 -8.993 1.00 34.42 H new ATOM 0 HA2 GLY A 77 11.335 9.325 -9.776 1.00 30.32 H new ATOM 0 HA3 GLY A 77 11.764 7.789 -10.503 1.00 30.32 H new ATOM 1105 N VAL A 78 10.362 7.358 -8.226 1.00 63.53 N ATOM 1106 CA VAL A 78 9.903 6.668 -7.028 1.00 54.41 C ATOM 1107 C VAL A 78 9.536 5.220 -7.334 1.00 13.45 C ATOM 1108 O VAL A 78 8.765 4.944 -8.254 1.00 31.32 O ATOM 1109 CB VAL A 78 8.684 7.374 -6.406 1.00 53.33 C ATOM 1110 CG1 VAL A 78 7.525 7.406 -7.391 1.00 34.23 C ATOM 1111 CG2 VAL A 78 8.275 6.689 -5.111 1.00 55.50 C ATOM 0 H VAL A 78 9.637 7.515 -8.926 1.00 63.53 H new ATOM 0 HA VAL A 78 10.728 6.688 -6.316 1.00 54.41 H new ATOM 0 HB VAL A 78 8.961 8.402 -6.174 1.00 53.33 H new ATOM 0 HG11 VAL A 78 6.673 7.909 -6.934 1.00 34.23 H new ATOM 0 HG12 VAL A 78 7.826 7.946 -8.289 1.00 34.23 H new ATOM 0 HG13 VAL A 78 7.245 6.387 -7.657 1.00 34.23 H new ATOM 0 HG21 VAL A 78 7.412 7.201 -4.685 1.00 55.50 H new ATOM 0 HG22 VAL A 78 8.016 5.650 -5.315 1.00 55.50 H new ATOM 0 HG23 VAL A 78 9.103 6.724 -4.403 1.00 55.50 H new ATOM 1121 N LYS A 79 10.093 4.298 -6.557 1.00 12.33 N ATOM 1122 CA LYS A 79 9.823 2.876 -6.743 1.00 24.14 C ATOM 1123 C LYS A 79 9.778 2.152 -5.401 1.00 54.21 C ATOM 1124 O LYS A 79 10.307 2.640 -4.402 1.00 42.25 O ATOM 1125 CB LYS A 79 10.893 2.246 -7.638 1.00 44.41 C ATOM 1126 CG LYS A 79 12.261 2.157 -6.981 1.00 74.01 C ATOM 1127 CD LYS A 79 12.487 0.795 -6.346 1.00 53.45 C ATOM 1128 CE LYS A 79 13.602 0.840 -5.314 1.00 61.01 C ATOM 1129 NZ LYS A 79 14.370 -0.434 -5.272 1.00 23.45 N ATOM 0 H LYS A 79 10.734 4.509 -5.792 1.00 12.33 H new ATOM 0 HA LYS A 79 8.850 2.776 -7.224 1.00 24.14 H new ATOM 0 HB2 LYS A 79 10.571 1.245 -7.925 1.00 44.41 H new ATOM 0 HB3 LYS A 79 10.977 2.829 -8.555 1.00 44.41 H new ATOM 0 HG2 LYS A 79 13.036 2.346 -7.724 1.00 74.01 H new ATOM 0 HG3 LYS A 79 12.352 2.933 -6.221 1.00 74.01 H new ATOM 0 HD2 LYS A 79 11.566 0.455 -5.873 1.00 53.45 H new ATOM 0 HD3 LYS A 79 12.735 0.068 -7.120 1.00 53.45 H new ATOM 0 HE2 LYS A 79 14.277 1.664 -5.545 1.00 61.01 H new ATOM 0 HE3 LYS A 79 13.178 1.041 -4.330 1.00 61.01 H new ATOM 0 HZ1 LYS A 79 14.621 -0.656 -4.287 1.00 23.45 H new ATOM 0 HZ2 LYS A 79 13.789 -1.203 -5.662 1.00 23.45 H new ATOM 0 HZ3 LYS A 79 15.238 -0.335 -5.837 1.00 23.45 H new ATOM 1139 N ILE A 80 9.143 0.984 -5.386 1.00 45.41 N ATOM 1140 CA ILE A 80 9.031 0.192 -4.168 1.00 2.21 C ATOM 1141 C ILE A 80 10.362 -0.462 -3.813 1.00 12.13 C ATOM 1142 O ILE A 80 10.881 -1.287 -4.565 1.00 13.24 O ATOM 1143 CB ILE A 80 7.955 -0.901 -4.304 1.00 53.00 C ATOM 1144 CG1 ILE A 80 6.595 -0.273 -4.618 1.00 23.51 C ATOM 1145 CG2 ILE A 80 7.879 -1.731 -3.031 1.00 14.31 C ATOM 1146 CD1 ILE A 80 5.558 -1.275 -5.076 1.00 52.54 C ATOM 0 H ILE A 80 8.699 0.566 -6.204 1.00 45.41 H new ATOM 0 HA ILE A 80 8.742 0.878 -3.372 1.00 2.21 H new ATOM 0 HB ILE A 80 8.230 -1.559 -5.128 1.00 53.00 H new ATOM 0 HG12 ILE A 80 6.226 0.239 -3.729 1.00 23.51 H new ATOM 0 HG13 ILE A 80 6.723 0.484 -5.391 1.00 23.51 H new ATOM 0 HG21 ILE A 80 7.114 -2.499 -3.143 1.00 14.31 H new ATOM 0 HG22 ILE A 80 8.844 -2.204 -2.847 1.00 14.31 H new ATOM 0 HG23 ILE A 80 7.625 -1.085 -2.190 1.00 14.31 H new ATOM 0 HD11 ILE A 80 4.620 -0.760 -5.281 1.00 52.54 H new ATOM 0 HD12 ILE A 80 5.906 -1.770 -5.983 1.00 52.54 H new ATOM 0 HD13 ILE A 80 5.401 -2.019 -4.295 1.00 52.54 H new ATOM 1157 N LYS A 81 10.909 -0.090 -2.660 1.00 71.42 N ATOM 1158 CA LYS A 81 12.178 -0.642 -2.202 1.00 41.05 C ATOM 1159 C LYS A 81 12.056 -2.139 -1.934 1.00 44.24 C ATOM 1160 O LYS A 81 11.123 -2.585 -1.267 1.00 32.21 O ATOM 1161 CB LYS A 81 12.643 0.078 -0.933 1.00 70.45 C ATOM 1162 CG LYS A 81 14.150 0.075 -0.750 1.00 0.15 C ATOM 1163 CD LYS A 81 14.792 1.299 -1.380 1.00 60.14 C ATOM 1164 CE LYS A 81 16.307 1.263 -1.252 1.00 0.43 C ATOM 1165 NZ LYS A 81 16.962 0.852 -2.525 1.00 24.11 N ATOM 0 H LYS A 81 10.493 0.592 -2.026 1.00 71.42 H new ATOM 0 HA LYS A 81 12.916 -0.491 -2.990 1.00 41.05 H new ATOM 0 HB2 LYS A 81 12.291 1.109 -0.961 1.00 70.45 H new ATOM 0 HB3 LYS A 81 12.179 -0.394 -0.067 1.00 70.45 H new ATOM 0 HG2 LYS A 81 14.388 0.045 0.313 1.00 0.15 H new ATOM 0 HG3 LYS A 81 14.569 -0.827 -1.196 1.00 0.15 H new ATOM 0 HD2 LYS A 81 14.516 1.354 -2.433 1.00 60.14 H new ATOM 0 HD3 LYS A 81 14.407 2.200 -0.902 1.00 60.14 H new ATOM 0 HE2 LYS A 81 16.670 2.248 -0.958 1.00 0.43 H new ATOM 0 HE3 LYS A 81 16.588 0.570 -0.459 1.00 0.43 H new ATOM 0 HZ1 LYS A 81 17.994 0.840 -2.396 1.00 24.11 H new ATOM 0 HZ2 LYS A 81 16.635 -0.098 -2.792 1.00 24.11 H new ATOM 0 HZ3 LYS A 81 16.715 1.527 -3.276 1.00 24.11 H new ATOM 1175 N GLY A 82 13.005 -2.909 -2.458 1.00 41.31 N ATOM 1176 CA GLY A 82 12.985 -4.347 -2.261 1.00 74.24 C ATOM 1177 C GLY A 82 12.744 -5.104 -3.553 1.00 13.40 C ATOM 1178 O GLY A 82 12.997 -6.306 -3.631 1.00 71.23 O ATOM 0 H GLY A 82 13.787 -2.563 -3.015 1.00 41.31 H new ATOM 0 HA2 GLY A 82 13.934 -4.665 -1.828 1.00 74.24 H new ATOM 0 HA3 GLY A 82 12.206 -4.602 -1.543 1.00 74.24 H new ATOM 1182 N CYS A 83 12.251 -4.400 -4.566 1.00 72.42 N ATOM 1183 CA CYS A 83 11.973 -5.014 -5.859 1.00 74.30 C ATOM 1184 C CYS A 83 13.176 -4.891 -6.789 1.00 34.42 C ATOM 1185 O CYS A 83 13.779 -3.827 -6.927 1.00 73.13 O ATOM 1186 CB CYS A 83 10.747 -4.365 -6.503 1.00 13.10 C ATOM 1187 SG CYS A 83 10.438 -4.894 -8.204 1.00 43.02 S ATOM 0 H CYS A 83 12.036 -3.404 -4.517 1.00 72.42 H new ATOM 0 HA CYS A 83 11.770 -6.072 -5.695 1.00 74.30 H new ATOM 0 HB2 CYS A 83 9.869 -4.593 -5.898 1.00 13.10 H new ATOM 0 HB3 CYS A 83 10.873 -3.282 -6.488 1.00 13.10 H new ATOM 0 HG CYS A 83 9.380 -4.292 -8.660 1.00 43.02 H new ATOM 1192 N PRO A 84 13.535 -6.006 -7.443 1.00 53.04 N ATOM 1193 CA PRO A 84 14.669 -6.050 -8.372 1.00 41.41 C ATOM 1194 C PRO A 84 14.400 -5.267 -9.652 1.00 72.32 C ATOM 1195 O PRO A 84 15.287 -4.593 -10.177 1.00 10.10 O ATOM 1196 CB PRO A 84 14.820 -7.542 -8.678 1.00 3.00 C ATOM 1197 CG PRO A 84 13.465 -8.115 -8.445 1.00 73.02 C ATOM 1198 CD PRO A 84 12.860 -7.311 -7.328 1.00 42.41 C ATOM 0 HA PRO A 84 15.564 -5.597 -7.945 1.00 41.41 H new ATOM 0 HB2 PRO A 84 15.147 -7.704 -9.705 1.00 3.00 H new ATOM 0 HB3 PRO A 84 15.563 -8.006 -8.029 1.00 3.00 H new ATOM 0 HG2 PRO A 84 12.855 -8.052 -9.346 1.00 73.02 H new ATOM 0 HG3 PRO A 84 13.528 -9.169 -8.176 1.00 73.02 H new ATOM 0 HD2 PRO A 84 11.780 -7.216 -7.440 1.00 42.41 H new ATOM 0 HD3 PRO A 84 13.040 -7.773 -6.357 1.00 42.41 H new ATOM 1203 N SER A 85 13.171 -5.361 -10.150 1.00 75.33 N ATOM 1204 CA SER A 85 12.786 -4.664 -11.373 1.00 65.21 C ATOM 1205 C SER A 85 13.157 -3.187 -11.295 1.00 41.24 C ATOM 1206 O SER A 85 13.900 -2.676 -12.133 1.00 12.03 O ATOM 1207 CB SER A 85 11.284 -4.813 -11.619 1.00 22.42 C ATOM 1208 OG SER A 85 11.010 -5.010 -12.995 1.00 63.23 O ATOM 0 H SER A 85 12.425 -5.912 -9.726 1.00 75.33 H new ATOM 0 HA SER A 85 13.328 -5.113 -12.205 1.00 65.21 H new ATOM 0 HB2 SER A 85 10.900 -5.656 -11.044 1.00 22.42 H new ATOM 0 HB3 SER A 85 10.764 -3.923 -11.265 1.00 22.42 H new ATOM 0 HG SER A 85 10.043 -5.104 -13.126 1.00 63.23 H new ATOM 1213 N GLU A 86 12.631 -2.504 -10.282 1.00 25.43 N ATOM 1214 CA GLU A 86 12.906 -1.084 -10.094 1.00 43.04 C ATOM 1215 C GLU A 86 12.412 -0.272 -11.288 1.00 73.43 C ATOM 1216 O GLU A 86 13.192 0.197 -12.117 1.00 72.44 O ATOM 1217 CB GLU A 86 14.406 -0.853 -9.893 1.00 14.35 C ATOM 1218 CG GLU A 86 14.819 -0.779 -8.432 1.00 34.32 C ATOM 1219 CD GLU A 86 16.148 -1.458 -8.167 1.00 25.01 C ATOM 1220 OE1 GLU A 86 16.271 -2.662 -8.476 1.00 72.45 O ATOM 1221 OE2 GLU A 86 17.065 -0.786 -7.650 1.00 63.41 O ATOM 0 H GLU A 86 12.013 -2.911 -9.580 1.00 25.43 H new ATOM 0 HA GLU A 86 12.372 -0.752 -9.203 1.00 43.04 H new ATOM 0 HB2 GLU A 86 14.957 -1.659 -10.378 1.00 14.35 H new ATOM 0 HB3 GLU A 86 14.692 0.074 -10.390 1.00 14.35 H new ATOM 0 HG2 GLU A 86 14.882 0.266 -8.129 1.00 34.32 H new ATOM 0 HG3 GLU A 86 14.049 -1.244 -7.816 1.00 34.32 H new ATOM 1226 N PRO A 87 11.084 -0.102 -11.379 1.00 31.31 N ATOM 1227 CA PRO A 87 10.456 0.652 -12.467 1.00 12.12 C ATOM 1228 C PRO A 87 10.740 2.147 -12.375 1.00 54.12 C ATOM 1229 O PRO A 87 10.993 2.805 -13.385 1.00 31.34 O ATOM 1230 CB PRO A 87 8.962 0.377 -12.272 1.00 60.14 C ATOM 1231 CG PRO A 87 8.822 0.059 -10.824 1.00 40.34 C ATOM 1232 CD PRO A 87 10.096 -0.634 -10.427 1.00 0.50 C ATOM 0 HA PRO A 87 10.835 0.351 -13.444 1.00 12.12 H new ATOM 0 HB2 PRO A 87 8.361 1.244 -12.547 1.00 60.14 H new ATOM 0 HB3 PRO A 87 8.628 -0.453 -12.894 1.00 60.14 H new ATOM 0 HG2 PRO A 87 8.672 0.966 -10.238 1.00 40.34 H new ATOM 0 HG3 PRO A 87 7.958 -0.581 -10.647 1.00 40.34 H new ATOM 0 HD2 PRO A 87 10.371 -0.411 -9.396 1.00 0.50 H new ATOM 0 HD3 PRO A 87 10.005 -1.717 -10.505 1.00 0.50 H new ATOM 1237 N TYR A 88 10.694 2.680 -11.159 1.00 22.44 N ATOM 1238 CA TYR A 88 10.945 4.098 -10.935 1.00 41.53 C ATOM 1239 C TYR A 88 9.961 4.956 -11.724 1.00 51.22 C ATOM 1240 O TYR A 88 10.253 5.393 -12.838 1.00 14.11 O ATOM 1241 CB TYR A 88 12.379 4.453 -11.331 1.00 32.11 C ATOM 1242 CG TYR A 88 13.405 4.090 -10.281 1.00 35.24 C ATOM 1243 CD1 TYR A 88 13.637 4.919 -9.192 1.00 63.21 C ATOM 1244 CD2 TYR A 88 14.141 2.915 -10.379 1.00 11.02 C ATOM 1245 CE1 TYR A 88 14.573 4.591 -8.231 1.00 22.34 C ATOM 1246 CE2 TYR A 88 15.079 2.577 -9.422 1.00 53.44 C ATOM 1247 CZ TYR A 88 15.291 3.419 -8.350 1.00 62.11 C ATOM 1248 OH TYR A 88 16.224 3.087 -7.395 1.00 45.14 O ATOM 0 H TYR A 88 10.485 2.150 -10.313 1.00 22.44 H new ATOM 0 HA TYR A 88 10.808 4.302 -9.873 1.00 41.53 H new ATOM 0 HB2 TYR A 88 12.627 3.942 -12.261 1.00 32.11 H new ATOM 0 HB3 TYR A 88 12.438 5.523 -11.530 1.00 32.11 H new ATOM 0 HD1 TYR A 88 13.076 5.837 -9.095 1.00 63.21 H new ATOM 0 HD2 TYR A 88 13.977 2.255 -11.218 1.00 11.02 H new ATOM 0 HE1 TYR A 88 14.742 5.248 -7.391 1.00 22.34 H new ATOM 0 HE2 TYR A 88 15.642 1.660 -9.513 1.00 53.44 H new ATOM 0 HH TYR A 88 16.640 2.231 -7.628 1.00 45.14 H new ATOM 1257 N PHE A 89 8.792 5.195 -11.138 1.00 34.55 N ATOM 1258 CA PHE A 89 7.762 5.999 -11.786 1.00 3.23 C ATOM 1259 C PHE A 89 7.895 7.468 -11.394 1.00 71.44 C ATOM 1260 O PHE A 89 8.879 7.871 -10.774 1.00 12.34 O ATOM 1261 CB PHE A 89 6.371 5.484 -11.410 1.00 22.30 C ATOM 1262 CG PHE A 89 6.176 4.022 -11.696 1.00 20.22 C ATOM 1263 CD1 PHE A 89 5.889 3.586 -12.980 1.00 14.33 C ATOM 1264 CD2 PHE A 89 6.281 3.084 -10.682 1.00 1.42 C ATOM 1265 CE1 PHE A 89 5.709 2.241 -13.246 1.00 64.04 C ATOM 1266 CE2 PHE A 89 6.103 1.739 -10.942 1.00 14.30 C ATOM 1267 CZ PHE A 89 5.815 1.318 -12.225 1.00 33.33 C ATOM 0 H PHE A 89 8.534 4.843 -10.216 1.00 34.55 H new ATOM 0 HA PHE A 89 7.894 5.914 -12.865 1.00 3.23 H new ATOM 0 HB2 PHE A 89 6.200 5.664 -10.349 1.00 22.30 H new ATOM 0 HB3 PHE A 89 5.621 6.056 -11.956 1.00 22.30 H new ATOM 0 HD1 PHE A 89 5.805 4.305 -13.782 1.00 14.33 H new ATOM 0 HD2 PHE A 89 6.505 3.408 -9.676 1.00 1.42 H new ATOM 0 HE1 PHE A 89 5.486 1.913 -14.251 1.00 64.04 H new ATOM 0 HE2 PHE A 89 6.189 1.018 -10.143 1.00 14.30 H new ATOM 0 HZ PHE A 89 5.673 0.267 -12.430 1.00 33.33 H new ATOM 1276 N GLY A 90 6.897 8.266 -11.764 1.00 20.14 N ATOM 1277 CA GLY A 90 6.921 9.680 -11.444 1.00 44.42 C ATOM 1278 C GLY A 90 6.767 9.943 -9.959 1.00 12.02 C ATOM 1279 O GLY A 90 7.731 10.303 -9.282 1.00 40.40 O ATOM 0 H GLY A 90 6.073 7.957 -12.280 1.00 20.14 H new ATOM 0 HA2 GLY A 90 7.860 10.111 -11.790 1.00 44.42 H new ATOM 0 HA3 GLY A 90 6.120 10.185 -11.984 1.00 44.42 H new ATOM 1283 N SER A 91 5.553 9.763 -9.450 1.00 51.33 N ATOM 1284 CA SER A 91 5.274 9.988 -8.037 1.00 20.00 C ATOM 1285 C SER A 91 4.424 8.858 -7.463 1.00 71.53 C ATOM 1286 O SER A 91 4.040 7.930 -8.178 1.00 3.22 O ATOM 1287 CB SER A 91 4.560 11.327 -7.842 1.00 21.14 C ATOM 1288 OG SER A 91 5.103 12.039 -6.744 1.00 0.11 O ATOM 0 H SER A 91 4.746 9.462 -9.996 1.00 51.33 H new ATOM 0 HA SER A 91 6.225 10.010 -7.505 1.00 20.00 H new ATOM 0 HB2 SER A 91 4.650 11.926 -8.748 1.00 21.14 H new ATOM 0 HB3 SER A 91 3.496 11.155 -7.678 1.00 21.14 H new ATOM 0 HG SER A 91 4.631 12.892 -6.641 1.00 0.11 H new ATOM 1293 N LEU A 92 4.134 8.941 -6.170 1.00 70.34 N ATOM 1294 CA LEU A 92 3.330 7.927 -5.499 1.00 20.11 C ATOM 1295 C LEU A 92 2.016 7.695 -6.240 1.00 22.21 C ATOM 1296 O LEU A 92 1.525 6.570 -6.316 1.00 14.25 O ATOM 1297 CB LEU A 92 3.047 8.345 -4.055 1.00 32.20 C ATOM 1298 CG LEU A 92 4.087 7.919 -3.018 1.00 11.14 C ATOM 1299 CD1 LEU A 92 3.769 8.532 -1.662 1.00 20.12 C ATOM 1300 CD2 LEU A 92 4.150 6.402 -2.917 1.00 30.02 C ATOM 0 H LEU A 92 4.444 9.701 -5.565 1.00 70.34 H new ATOM 0 HA LEU A 92 3.894 6.994 -5.497 1.00 20.11 H new ATOM 0 HB2 LEU A 92 2.955 9.431 -4.023 1.00 32.20 H new ATOM 0 HB3 LEU A 92 2.081 7.934 -3.761 1.00 32.20 H new ATOM 0 HG LEU A 92 5.063 8.282 -3.340 1.00 11.14 H new ATOM 0 HD11 LEU A 92 4.519 8.218 -0.936 1.00 20.12 H new ATOM 0 HD12 LEU A 92 3.775 9.619 -1.744 1.00 20.12 H new ATOM 0 HD13 LEU A 92 2.785 8.198 -1.334 1.00 20.12 H new ATOM 0 HD21 LEU A 92 4.895 6.117 -2.174 1.00 30.02 H new ATOM 0 HD22 LEU A 92 3.175 6.016 -2.619 1.00 30.02 H new ATOM 0 HD23 LEU A 92 4.425 5.984 -3.885 1.00 30.02 H new ATOM 1311 N SER A 93 1.455 8.768 -6.787 1.00 14.42 N ATOM 1312 CA SER A 93 0.198 8.682 -7.522 1.00 3.30 C ATOM 1313 C SER A 93 0.390 7.949 -8.846 1.00 4.44 C ATOM 1314 O SER A 93 -0.495 7.227 -9.302 1.00 55.33 O ATOM 1315 CB SER A 93 -0.364 10.082 -7.777 1.00 53.13 C ATOM 1316 OG SER A 93 -1.380 10.051 -8.765 1.00 73.43 O ATOM 0 H SER A 93 1.850 9.707 -6.735 1.00 14.42 H new ATOM 0 HA SER A 93 -0.511 8.118 -6.916 1.00 3.30 H new ATOM 0 HB2 SER A 93 -0.766 10.490 -6.850 1.00 53.13 H new ATOM 0 HB3 SER A 93 0.438 10.747 -8.097 1.00 53.13 H new ATOM 0 HG SER A 93 -1.724 10.957 -8.909 1.00 73.43 H new ATOM 1321 N ALA A 94 1.555 8.140 -9.456 1.00 71.12 N ATOM 1322 CA ALA A 94 1.867 7.497 -10.726 1.00 12.15 C ATOM 1323 C ALA A 94 1.987 5.985 -10.560 1.00 62.34 C ATOM 1324 O ALA A 94 1.446 5.218 -11.357 1.00 30.34 O ATOM 1325 CB ALA A 94 3.150 8.069 -11.308 1.00 43.44 C ATOM 0 H ALA A 94 2.299 8.735 -9.091 1.00 71.12 H new ATOM 0 HA ALA A 94 1.048 7.698 -11.417 1.00 12.15 H new ATOM 0 HB1 ALA A 94 3.370 7.579 -12.256 1.00 43.44 H new ATOM 0 HB2 ALA A 94 3.029 9.140 -11.473 1.00 43.44 H new ATOM 0 HB3 ALA A 94 3.972 7.899 -10.613 1.00 43.44 H new ATOM 1331 N LEU A 95 2.702 5.564 -9.522 1.00 13.41 N ATOM 1332 CA LEU A 95 2.894 4.144 -9.252 1.00 21.34 C ATOM 1333 C LEU A 95 1.610 3.509 -8.727 1.00 73.23 C ATOM 1334 O LEU A 95 1.350 2.328 -8.957 1.00 53.31 O ATOM 1335 CB LEU A 95 4.024 3.946 -8.239 1.00 70.21 C ATOM 1336 CG LEU A 95 3.907 4.741 -6.939 1.00 3.40 C ATOM 1337 CD1 LEU A 95 3.044 3.995 -5.933 1.00 24.55 C ATOM 1338 CD2 LEU A 95 5.286 5.021 -6.359 1.00 33.02 C ATOM 0 H LEU A 95 3.158 6.186 -8.854 1.00 13.41 H new ATOM 0 HA LEU A 95 3.162 3.655 -10.189 1.00 21.34 H new ATOM 0 HB2 LEU A 95 4.080 2.886 -7.990 1.00 70.21 H new ATOM 0 HB3 LEU A 95 4.966 4.210 -8.719 1.00 70.21 H new ATOM 0 HG LEU A 95 3.428 5.695 -7.160 1.00 3.40 H new ATOM 0 HD11 LEU A 95 2.972 4.576 -5.014 1.00 24.55 H new ATOM 0 HD12 LEU A 95 2.047 3.847 -6.348 1.00 24.55 H new ATOM 0 HD13 LEU A 95 3.494 3.026 -5.716 1.00 24.55 H new ATOM 0 HD21 LEU A 95 5.183 5.588 -5.434 1.00 33.02 H new ATOM 0 HD22 LEU A 95 5.792 4.078 -6.153 1.00 33.02 H new ATOM 0 HD23 LEU A 95 5.872 5.598 -7.075 1.00 33.02 H new ATOM 1349 N VAL A 96 0.809 4.303 -8.023 1.00 12.01 N ATOM 1350 CA VAL A 96 -0.451 3.821 -7.470 1.00 22.15 C ATOM 1351 C VAL A 96 -1.474 3.568 -8.570 1.00 21.11 C ATOM 1352 O VAL A 96 -2.195 2.570 -8.545 1.00 5.11 O ATOM 1353 CB VAL A 96 -1.038 4.822 -6.457 1.00 11.15 C ATOM 1354 CG1 VAL A 96 -2.547 4.656 -6.357 1.00 10.23 C ATOM 1355 CG2 VAL A 96 -0.383 4.648 -5.096 1.00 2.24 C ATOM 0 H VAL A 96 1.010 5.283 -7.822 1.00 12.01 H new ATOM 0 HA VAL A 96 -0.234 2.883 -6.959 1.00 22.15 H new ATOM 0 HB VAL A 96 -0.830 5.833 -6.808 1.00 11.15 H new ATOM 0 HG11 VAL A 96 -2.945 5.371 -5.637 1.00 10.23 H new ATOM 0 HG12 VAL A 96 -2.998 4.835 -7.333 1.00 10.23 H new ATOM 0 HG13 VAL A 96 -2.781 3.643 -6.029 1.00 10.23 H new ATOM 0 HG21 VAL A 96 -0.810 5.363 -4.393 1.00 2.24 H new ATOM 0 HG22 VAL A 96 -0.559 3.635 -4.735 1.00 2.24 H new ATOM 0 HG23 VAL A 96 0.690 4.821 -5.184 1.00 2.24 H new ATOM 1365 N SER A 97 -1.532 4.478 -9.537 1.00 74.34 N ATOM 1366 CA SER A 97 -2.470 4.356 -10.647 1.00 13.15 C ATOM 1367 C SER A 97 -2.043 3.242 -11.599 1.00 42.22 C ATOM 1368 O SER A 97 -2.876 2.489 -12.103 1.00 64.12 O ATOM 1369 CB SER A 97 -2.571 5.680 -11.406 1.00 22.03 C ATOM 1370 OG SER A 97 -3.379 5.545 -12.562 1.00 52.24 O ATOM 0 H SER A 97 -0.940 5.308 -9.574 1.00 74.34 H new ATOM 0 HA SER A 97 -3.448 4.105 -10.237 1.00 13.15 H new ATOM 0 HB2 SER A 97 -2.990 6.446 -10.753 1.00 22.03 H new ATOM 0 HB3 SER A 97 -1.574 6.016 -11.692 1.00 22.03 H new ATOM 0 HG SER A 97 -3.429 6.405 -13.029 1.00 52.24 H new ATOM 1375 N GLN A 98 -0.739 3.146 -11.840 1.00 15.14 N ATOM 1376 CA GLN A 98 -0.201 2.125 -12.732 1.00 4.42 C ATOM 1377 C GLN A 98 -0.301 0.741 -12.099 1.00 1.22 C ATOM 1378 O GLN A 98 -0.434 -0.265 -12.796 1.00 75.05 O ATOM 1379 CB GLN A 98 1.255 2.437 -13.077 1.00 20.31 C ATOM 1380 CG GLN A 98 1.415 3.591 -14.053 1.00 63.22 C ATOM 1381 CD GLN A 98 1.032 3.215 -15.471 1.00 4.54 C ATOM 1382 OE1 GLN A 98 -0.099 3.443 -15.902 1.00 63.02 O ATOM 1383 NE2 GLN A 98 1.975 2.636 -16.205 1.00 12.11 N ATOM 0 H GLN A 98 -0.036 3.762 -11.431 1.00 15.14 H new ATOM 0 HA GLN A 98 -0.793 2.129 -13.647 1.00 4.42 H new ATOM 0 HB2 GLN A 98 1.795 2.671 -12.159 1.00 20.31 H new ATOM 0 HB3 GLN A 98 1.718 1.546 -13.501 1.00 20.31 H new ATOM 0 HG2 GLN A 98 0.799 4.428 -13.724 1.00 63.22 H new ATOM 0 HG3 GLN A 98 2.450 3.933 -14.039 1.00 63.22 H new ATOM 0 HE21 GLN A 98 2.899 2.466 -15.807 1.00 12.11 H new ATOM 0 HE22 GLN A 98 1.776 2.361 -17.167 1.00 12.11 H new ATOM 1390 N HIS A 99 -0.235 0.697 -10.772 1.00 25.35 N ATOM 1391 CA HIS A 99 -0.317 -0.565 -10.044 1.00 11.11 C ATOM 1392 C HIS A 99 -1.688 -1.209 -10.228 1.00 52.12 C ATOM 1393 O HIS A 99 -1.876 -2.388 -9.927 1.00 13.01 O ATOM 1394 CB HIS A 99 -0.043 -0.339 -8.557 1.00 50.01 C ATOM 1395 CG HIS A 99 1.404 -0.464 -8.188 1.00 55.21 C ATOM 1396 ND1 HIS A 99 2.389 -1.226 -8.719 1.00 73.14 N flip ATOM 1397 CD2 HIS A 99 1.983 0.247 -7.159 1.00 23.21 C flip ATOM 1398 CE1 HIS A 99 3.534 -0.963 -8.008 1.00 41.01 C flip ATOM 1399 NE2 HIS A 99 3.262 -0.070 -7.073 1.00 41.13 N flip ATOM 0 H HIS A 99 -0.125 1.520 -10.179 1.00 25.35 H new ATOM 0 HA HIS A 99 0.439 -1.239 -10.447 1.00 11.11 H new ATOM 0 HB2 HIS A 99 -0.396 0.654 -8.278 1.00 50.01 H new ATOM 0 HB3 HIS A 99 -0.621 -1.058 -7.976 1.00 50.01 H new ATOM 0 HD1 HIS A 99 2.298 -1.874 -9.501 1.00 73.14 H new ATOM 0 HD2 HIS A 99 1.471 0.953 -6.522 1.00 23.21 H new ATOM 0 HE1 HIS A 99 4.500 -1.413 -8.184 1.00 41.01 H new ATOM 1406 N SER A 100 -2.643 -0.428 -10.723 1.00 25.23 N ATOM 1407 CA SER A 100 -3.997 -0.921 -10.943 1.00 70.31 C ATOM 1408 C SER A 100 -4.166 -1.424 -12.374 1.00 10.11 C ATOM 1409 O SER A 100 -5.264 -1.803 -12.784 1.00 51.23 O ATOM 1410 CB SER A 100 -5.017 0.181 -10.654 1.00 73.01 C ATOM 1411 OG SER A 100 -6.327 -0.233 -11.000 1.00 52.32 O ATOM 0 H SER A 100 -2.504 0.549 -10.979 1.00 25.23 H new ATOM 0 HA SER A 100 -4.169 -1.753 -10.261 1.00 70.31 H new ATOM 0 HB2 SER A 100 -4.983 0.444 -9.597 1.00 73.01 H new ATOM 0 HB3 SER A 100 -4.756 1.079 -11.215 1.00 73.01 H new ATOM 0 HG SER A 100 -6.673 -0.835 -10.309 1.00 52.32 H new ATOM 1416 N ILE A 101 -3.071 -1.425 -13.127 1.00 53.42 N ATOM 1417 CA ILE A 101 -3.099 -1.881 -14.511 1.00 25.21 C ATOM 1418 C ILE A 101 -1.972 -2.871 -14.785 1.00 22.45 C ATOM 1419 O ILE A 101 -2.152 -3.847 -15.513 1.00 10.13 O ATOM 1420 CB ILE A 101 -2.981 -0.702 -15.495 1.00 34.23 C ATOM 1421 CG1 ILE A 101 -4.121 0.294 -15.270 1.00 25.31 C ATOM 1422 CG2 ILE A 101 -2.989 -1.208 -16.930 1.00 71.12 C ATOM 1423 CD1 ILE A 101 -3.666 1.736 -15.248 1.00 60.33 C ATOM 0 H ILE A 101 -2.155 -1.116 -12.802 1.00 53.42 H new ATOM 0 HA ILE A 101 -4.059 -2.375 -14.662 1.00 25.21 H new ATOM 0 HB ILE A 101 -2.035 -0.190 -15.315 1.00 34.23 H new ATOM 0 HG12 ILE A 101 -4.864 0.168 -16.057 1.00 25.31 H new ATOM 0 HG13 ILE A 101 -4.614 0.062 -14.326 1.00 25.31 H new ATOM 0 HG21 ILE A 101 -2.905 -0.364 -17.614 1.00 71.12 H new ATOM 0 HG22 ILE A 101 -2.147 -1.884 -17.082 1.00 71.12 H new ATOM 0 HG23 ILE A 101 -3.921 -1.740 -17.123 1.00 71.12 H new ATOM 0 HD11 ILE A 101 -4.525 2.386 -15.085 1.00 60.33 H new ATOM 0 HD12 ILE A 101 -2.945 1.878 -14.443 1.00 60.33 H new ATOM 0 HD13 ILE A 101 -3.199 1.985 -16.201 1.00 60.33 H new ATOM 1434 N SER A 102 -0.808 -2.614 -14.195 1.00 40.41 N ATOM 1435 CA SER A 102 0.350 -3.481 -14.377 1.00 12.55 C ATOM 1436 C SER A 102 1.173 -3.563 -13.094 1.00 34.21 C ATOM 1437 O SER A 102 2.227 -2.941 -12.963 1.00 0.33 O ATOM 1438 CB SER A 102 1.222 -2.970 -15.525 1.00 42.43 C ATOM 1439 OG SER A 102 2.483 -3.615 -15.533 1.00 70.53 O ATOM 0 H SER A 102 -0.643 -1.812 -13.587 1.00 40.41 H new ATOM 0 HA SER A 102 -0.010 -4.480 -14.622 1.00 12.55 H new ATOM 0 HB2 SER A 102 0.716 -3.142 -16.475 1.00 42.43 H new ATOM 0 HB3 SER A 102 1.361 -1.893 -15.429 1.00 42.43 H new ATOM 0 HG SER A 102 2.948 -3.435 -14.689 1.00 70.53 H new ATOM 1444 N PRO A 103 0.681 -4.349 -12.125 1.00 35.44 N ATOM 1445 CA PRO A 103 1.354 -4.534 -10.837 1.00 64.44 C ATOM 1446 C PRO A 103 2.646 -5.334 -10.966 1.00 73.21 C ATOM 1447 O PRO A 103 2.672 -6.391 -11.599 1.00 50.42 O ATOM 1448 CB PRO A 103 0.327 -5.306 -10.006 1.00 73.20 C ATOM 1449 CG PRO A 103 -0.512 -6.020 -11.010 1.00 65.12 C ATOM 1450 CD PRO A 103 -0.570 -5.121 -12.214 1.00 13.40 C ATOM 0 HA PRO A 103 1.652 -3.584 -10.394 1.00 64.44 H new ATOM 0 HB2 PRO A 103 0.813 -6.006 -9.326 1.00 73.20 H new ATOM 0 HB3 PRO A 103 -0.274 -4.633 -9.394 1.00 73.20 H new ATOM 0 HG2 PRO A 103 -0.078 -6.987 -11.265 1.00 65.12 H new ATOM 0 HG3 PRO A 103 -1.511 -6.213 -10.618 1.00 65.12 H new ATOM 0 HD2 PRO A 103 -0.624 -5.693 -13.140 1.00 13.40 H new ATOM 0 HD3 PRO A 103 -1.445 -4.472 -12.189 1.00 13.40 H new ATOM 1455 N ILE A 104 3.715 -4.825 -10.364 1.00 32.24 N ATOM 1456 CA ILE A 104 5.009 -5.495 -10.411 1.00 21.31 C ATOM 1457 C ILE A 104 5.274 -6.271 -9.126 1.00 1.54 C ATOM 1458 O ILE A 104 5.226 -7.500 -9.109 1.00 22.44 O ATOM 1459 CB ILE A 104 6.154 -4.491 -10.637 1.00 25.14 C ATOM 1460 CG1 ILE A 104 5.938 -3.722 -11.941 1.00 51.12 C ATOM 1461 CG2 ILE A 104 7.494 -5.212 -10.657 1.00 61.03 C ATOM 1462 CD1 ILE A 104 6.738 -2.441 -12.027 1.00 62.45 C ATOM 0 H ILE A 104 3.711 -3.951 -9.838 1.00 32.24 H new ATOM 0 HA ILE A 104 4.974 -6.189 -11.250 1.00 21.31 H new ATOM 0 HB ILE A 104 6.159 -3.777 -9.813 1.00 25.14 H new ATOM 0 HG12 ILE A 104 6.204 -4.364 -12.780 1.00 51.12 H new ATOM 0 HG13 ILE A 104 4.879 -3.487 -12.043 1.00 51.12 H new ATOM 0 HG21 ILE A 104 8.294 -4.489 -10.818 1.00 61.03 H new ATOM 0 HG22 ILE A 104 7.649 -5.719 -9.704 1.00 61.03 H new ATOM 0 HG23 ILE A 104 7.501 -5.945 -11.463 1.00 61.03 H new ATOM 0 HD11 ILE A 104 6.535 -1.949 -12.978 1.00 62.45 H new ATOM 0 HD12 ILE A 104 6.455 -1.780 -11.208 1.00 62.45 H new ATOM 0 HD13 ILE A 104 7.801 -2.671 -11.957 1.00 62.45 H new ATOM 1473 N SER A 105 5.551 -5.543 -8.048 1.00 52.24 N ATOM 1474 CA SER A 105 5.825 -6.163 -6.757 1.00 23.30 C ATOM 1475 C SER A 105 4.534 -6.633 -6.094 1.00 70.12 C ATOM 1476 O SER A 105 4.540 -7.559 -5.282 1.00 52.22 O ATOM 1477 CB SER A 105 6.554 -5.179 -5.840 1.00 2.40 C ATOM 1478 OG SER A 105 6.933 -5.800 -4.623 1.00 53.24 O ATOM 0 H SER A 105 5.591 -4.524 -8.044 1.00 52.24 H new ATOM 0 HA SER A 105 6.462 -7.031 -6.927 1.00 23.30 H new ATOM 0 HB2 SER A 105 7.439 -4.793 -6.346 1.00 2.40 H new ATOM 0 HB3 SER A 105 5.909 -4.326 -5.631 1.00 2.40 H new ATOM 0 HG SER A 105 7.398 -5.151 -4.055 1.00 53.24 H new ATOM 1483 N LEU A 106 3.428 -5.987 -6.445 1.00 73.32 N ATOM 1484 CA LEU A 106 2.127 -6.337 -5.886 1.00 21.13 C ATOM 1485 C LEU A 106 1.612 -7.643 -6.482 1.00 50.32 C ATOM 1486 O LEU A 106 2.001 -8.051 -7.577 1.00 40.21 O ATOM 1487 CB LEU A 106 1.120 -5.215 -6.142 1.00 42.44 C ATOM 1488 CG LEU A 106 1.265 -3.971 -5.264 1.00 40.23 C ATOM 1489 CD1 LEU A 106 0.215 -2.933 -5.631 1.00 74.44 C ATOM 1490 CD2 LEU A 106 1.158 -4.341 -3.792 1.00 22.34 C ATOM 0 H LEU A 106 3.406 -5.218 -7.114 1.00 73.32 H new ATOM 0 HA LEU A 106 2.246 -6.471 -4.811 1.00 21.13 H new ATOM 0 HB2 LEU A 106 1.203 -4.911 -7.185 1.00 42.44 H new ATOM 0 HB3 LEU A 106 0.116 -5.617 -6.006 1.00 42.44 H new ATOM 0 HG LEU A 106 2.251 -3.540 -5.439 1.00 40.23 H new ATOM 0 HD11 LEU A 106 0.334 -2.055 -4.996 1.00 74.44 H new ATOM 0 HD12 LEU A 106 0.338 -2.645 -6.675 1.00 74.44 H new ATOM 0 HD13 LEU A 106 -0.780 -3.354 -5.485 1.00 74.44 H new ATOM 0 HD21 LEU A 106 1.264 -3.443 -3.183 1.00 22.34 H new ATOM 0 HD22 LEU A 106 0.187 -4.797 -3.601 1.00 22.34 H new ATOM 0 HD23 LEU A 106 1.947 -5.048 -3.536 1.00 22.34 H new ATOM 1501 N PRO A 107 0.712 -8.315 -5.748 1.00 21.41 N ATOM 1502 CA PRO A 107 0.122 -9.584 -6.186 1.00 44.32 C ATOM 1503 C PRO A 107 -0.829 -9.404 -7.363 1.00 11.21 C ATOM 1504 O PRO A 107 -0.751 -10.132 -8.353 1.00 32.34 O ATOM 1505 CB PRO A 107 -0.641 -10.064 -4.949 1.00 14.53 C ATOM 1506 CG PRO A 107 -0.950 -8.822 -4.187 1.00 70.54 C ATOM 1507 CD PRO A 107 0.203 -7.888 -4.433 1.00 34.40 C ATOM 0 HA PRO A 107 0.878 -10.287 -6.537 1.00 44.32 H new ATOM 0 HB2 PRO A 107 -1.552 -10.594 -5.227 1.00 14.53 H new ATOM 0 HB3 PRO A 107 -0.040 -10.753 -4.356 1.00 14.53 H new ATOM 0 HG2 PRO A 107 -1.888 -8.381 -4.523 1.00 70.54 H new ATOM 0 HG3 PRO A 107 -1.061 -9.034 -3.124 1.00 70.54 H new ATOM 0 HD2 PRO A 107 -0.119 -6.847 -4.445 1.00 34.40 H new ATOM 0 HD3 PRO A 107 0.965 -7.977 -3.659 1.00 34.40 H new ATOM 1512 N CYS A 108 -1.727 -8.431 -7.251 1.00 3.35 N ATOM 1513 CA CYS A 108 -2.694 -8.157 -8.306 1.00 40.22 C ATOM 1514 C CYS A 108 -2.834 -6.656 -8.539 1.00 15.31 C ATOM 1515 O CYS A 108 -2.195 -5.851 -7.861 1.00 61.42 O ATOM 1516 CB CYS A 108 -4.054 -8.759 -7.951 1.00 3.44 C ATOM 1517 SG CYS A 108 -4.758 -9.809 -9.244 1.00 53.12 S ATOM 0 H CYS A 108 -1.805 -7.819 -6.439 1.00 3.35 H new ATOM 0 HA CYS A 108 -2.331 -8.617 -9.225 1.00 40.22 H new ATOM 0 HB2 CYS A 108 -3.952 -9.345 -7.038 1.00 3.44 H new ATOM 0 HB3 CYS A 108 -4.752 -7.950 -7.735 1.00 3.44 H new ATOM 0 HG CYS A 108 -5.906 -10.273 -8.849 1.00 53.12 H new ATOM 1522 N CYS A 109 -3.673 -6.287 -9.501 1.00 2.23 N ATOM 1523 CA CYS A 109 -3.895 -4.883 -9.824 1.00 45.45 C ATOM 1524 C CYS A 109 -4.726 -4.201 -8.743 1.00 40.42 C ATOM 1525 O CYS A 109 -5.801 -4.678 -8.377 1.00 3.13 O ATOM 1526 CB CYS A 109 -4.594 -4.753 -11.178 1.00 34.43 C ATOM 1527 SG CYS A 109 -6.173 -5.628 -11.280 1.00 13.15 S ATOM 0 H CYS A 109 -4.210 -6.941 -10.070 1.00 2.23 H new ATOM 0 HA CYS A 109 -2.924 -4.391 -9.876 1.00 45.45 H new ATOM 0 HB2 CYS A 109 -4.762 -3.697 -11.388 1.00 34.43 H new ATOM 0 HB3 CYS A 109 -3.930 -5.131 -11.955 1.00 34.43 H new ATOM 0 HG CYS A 109 -6.688 -5.457 -12.461 1.00 13.15 H new ATOM 1532 N LEU A 110 -4.222 -3.081 -8.235 1.00 4.35 N ATOM 1533 CA LEU A 110 -4.917 -2.333 -7.192 1.00 22.10 C ATOM 1534 C LEU A 110 -6.342 -1.998 -7.621 1.00 34.33 C ATOM 1535 O LEU A 110 -6.604 -1.748 -8.798 1.00 53.41 O ATOM 1536 CB LEU A 110 -4.155 -1.047 -6.866 1.00 31.25 C ATOM 1537 CG LEU A 110 -4.951 0.038 -6.142 1.00 3.41 C ATOM 1538 CD1 LEU A 110 -5.404 -0.452 -4.775 1.00 10.00 C ATOM 1539 CD2 LEU A 110 -4.121 1.307 -6.007 1.00 11.21 C ATOM 0 H LEU A 110 -3.335 -2.671 -8.528 1.00 4.35 H new ATOM 0 HA LEU A 110 -4.963 -2.957 -6.300 1.00 22.10 H new ATOM 0 HB2 LEU A 110 -3.291 -1.305 -6.254 1.00 31.25 H new ATOM 0 HB3 LEU A 110 -3.772 -0.629 -7.797 1.00 31.25 H new ATOM 0 HG LEU A 110 -5.837 0.267 -6.734 1.00 3.41 H new ATOM 0 HD11 LEU A 110 -5.969 0.335 -4.275 1.00 10.00 H new ATOM 0 HD12 LEU A 110 -6.036 -1.332 -4.895 1.00 10.00 H new ATOM 0 HD13 LEU A 110 -4.532 -0.710 -4.174 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -4.703 2.069 -5.489 1.00 11.21 H new ATOM 0 HD22 LEU A 110 -3.217 1.092 -5.437 1.00 11.21 H new ATOM 0 HD23 LEU A 110 -3.848 1.670 -6.998 1.00 11.21 H new ATOM 1550 N ARG A 111 -7.259 -1.993 -6.658 1.00 31.34 N ATOM 1551 CA ARG A 111 -8.657 -1.689 -6.936 1.00 21.21 C ATOM 1552 C ARG A 111 -8.959 -0.220 -6.653 1.00 61.14 C ATOM 1553 O ARG A 111 -8.684 0.281 -5.563 1.00 15.41 O ATOM 1554 CB ARG A 111 -9.573 -2.580 -6.095 1.00 61.42 C ATOM 1555 CG ARG A 111 -10.009 -3.850 -6.808 1.00 61.45 C ATOM 1556 CD ARG A 111 -8.867 -4.847 -6.919 1.00 22.14 C ATOM 1557 NE ARG A 111 -8.766 -5.419 -8.259 1.00 13.11 N ATOM 1558 CZ ARG A 111 -9.631 -6.300 -8.748 1.00 74.04 C ATOM 1559 NH1 ARG A 111 -10.655 -6.709 -8.012 1.00 54.10 N ATOM 1560 NH2 ARG A 111 -9.473 -6.774 -9.978 1.00 34.02 N ATOM 0 H ARG A 111 -7.058 -2.196 -5.679 1.00 31.34 H new ATOM 0 HA ARG A 111 -8.842 -1.885 -7.992 1.00 21.21 H new ATOM 0 HB2 ARG A 111 -9.057 -2.850 -5.173 1.00 61.42 H new ATOM 0 HB3 ARG A 111 -10.458 -2.011 -5.810 1.00 61.42 H new ATOM 0 HG2 ARG A 111 -10.839 -4.305 -6.268 1.00 61.45 H new ATOM 0 HG3 ARG A 111 -10.375 -3.602 -7.804 1.00 61.45 H new ATOM 0 HD2 ARG A 111 -7.929 -4.353 -6.664 1.00 22.14 H new ATOM 0 HD3 ARG A 111 -9.013 -5.647 -6.194 1.00 22.14 H new ATOM 0 HE ARG A 111 -7.989 -5.126 -8.851 1.00 13.11 H new ATOM 0 HH11 ARG A 111 -10.781 -6.347 -7.067 1.00 54.10 H new ATOM 0 HH12 ARG A 111 -11.317 -7.386 -8.391 1.00 54.10 H new ATOM 0 HH21 ARG A 111 -8.687 -6.462 -10.548 1.00 34.02 H new ATOM 0 HH22 ARG A 111 -10.138 -7.451 -10.353 1.00 34.02 H new ATOM 1571 N ILE A 112 -9.526 0.463 -7.642 1.00 42.23 N ATOM 1572 CA ILE A 112 -9.865 1.873 -7.499 1.00 52.42 C ATOM 1573 C ILE A 112 -8.679 2.673 -6.971 1.00 51.34 C ATOM 1574 O ILE A 112 -8.619 3.039 -5.797 1.00 3.12 O ATOM 1575 CB ILE A 112 -11.065 2.071 -6.553 1.00 33.25 C ATOM 1576 CG1 ILE A 112 -12.286 1.311 -7.078 1.00 64.43 C ATOM 1577 CG2 ILE A 112 -11.381 3.550 -6.399 1.00 42.13 C ATOM 1578 CD1 ILE A 112 -12.750 0.204 -6.158 1.00 43.51 C ATOM 0 H ILE A 112 -9.760 0.063 -8.550 1.00 42.23 H new ATOM 0 HA ILE A 112 -10.132 2.235 -8.492 1.00 52.42 H new ATOM 0 HB ILE A 112 -10.805 1.672 -5.572 1.00 33.25 H new ATOM 0 HG12 ILE A 112 -13.105 2.015 -7.228 1.00 64.43 H new ATOM 0 HG13 ILE A 112 -12.048 0.886 -8.053 1.00 64.43 H new ATOM 0 HG21 ILE A 112 -12.231 3.672 -5.728 1.00 42.13 H new ATOM 0 HG22 ILE A 112 -10.515 4.066 -5.985 1.00 42.13 H new ATOM 0 HG23 ILE A 112 -11.624 3.973 -7.373 1.00 42.13 H new ATOM 0 HD11 ILE A 112 -13.618 -0.291 -6.593 1.00 43.51 H new ATOM 0 HD12 ILE A 112 -11.947 -0.521 -6.027 1.00 43.51 H new ATOM 0 HD13 ILE A 112 -13.020 0.625 -5.190 1.00 43.51 H new ATOM 1589 N PRO A 113 -7.714 2.955 -7.858 1.00 4.22 N ATOM 1590 CA PRO A 113 -6.512 3.718 -7.505 1.00 1.13 C ATOM 1591 C PRO A 113 -6.819 5.185 -7.225 1.00 0.14 C ATOM 1592 O PRO A 113 -7.981 5.581 -7.141 1.00 1.42 O ATOM 1593 CB PRO A 113 -5.629 3.583 -8.747 1.00 3.30 C ATOM 1594 CG PRO A 113 -6.582 3.336 -9.865 1.00 43.55 C ATOM 1595 CD PRO A 113 -7.720 2.550 -9.273 1.00 44.14 C ATOM 0 HA PRO A 113 -6.046 3.346 -6.592 1.00 1.13 H new ATOM 0 HB2 PRO A 113 -5.045 4.487 -8.917 1.00 3.30 H new ATOM 0 HB3 PRO A 113 -4.921 2.761 -8.642 1.00 3.30 H new ATOM 0 HG2 PRO A 113 -6.936 4.275 -10.291 1.00 43.55 H new ATOM 0 HG3 PRO A 113 -6.102 2.781 -10.671 1.00 43.55 H new ATOM 0 HD2 PRO A 113 -8.668 2.789 -9.756 1.00 44.14 H new ATOM 0 HD3 PRO A 113 -7.568 1.476 -9.384 1.00 44.14 H new ATOM 1600 N SER A 114 -5.768 5.987 -7.082 1.00 53.45 N ATOM 1601 CA SER A 114 -5.925 7.411 -6.809 1.00 14.14 C ATOM 1602 C SER A 114 -6.022 8.206 -8.107 1.00 12.32 C ATOM 1603 O SER A 114 -5.310 9.192 -8.300 1.00 54.33 O ATOM 1604 CB SER A 114 -4.753 7.923 -5.970 1.00 24.40 C ATOM 1605 OG SER A 114 -4.859 9.317 -5.743 1.00 41.31 O ATOM 0 H SER A 114 -4.799 5.675 -7.151 1.00 53.45 H new ATOM 0 HA SER A 114 -6.850 7.549 -6.250 1.00 14.14 H new ATOM 0 HB2 SER A 114 -4.728 7.397 -5.016 1.00 24.40 H new ATOM 0 HB3 SER A 114 -3.814 7.705 -6.479 1.00 24.40 H new ATOM 0 HG SER A 114 -4.883 9.787 -6.602 1.00 41.31 H new ATOM 1610 N LYS A 115 -6.908 7.769 -8.995 1.00 55.43 N ATOM 1611 CA LYS A 115 -7.102 8.439 -10.276 1.00 54.23 C ATOM 1612 C LYS A 115 -7.958 9.691 -10.112 1.00 34.11 C ATOM 1613 O LYS A 115 -7.639 10.748 -10.656 1.00 75.24 O ATOM 1614 CB LYS A 115 -7.759 7.487 -11.279 1.00 24.31 C ATOM 1615 CG LYS A 115 -9.091 6.932 -10.808 1.00 53.52 C ATOM 1616 CD LYS A 115 -9.903 6.374 -11.965 1.00 32.04 C ATOM 1617 CE LYS A 115 -11.175 7.177 -12.192 1.00 52.11 C ATOM 1618 NZ LYS A 115 -12.287 6.713 -11.316 1.00 43.25 N ATOM 0 H LYS A 115 -7.504 6.953 -8.851 1.00 55.43 H new ATOM 0 HA LYS A 115 -6.124 8.736 -10.653 1.00 54.23 H new ATOM 0 HB2 LYS A 115 -7.907 8.012 -12.222 1.00 24.31 H new ATOM 0 HB3 LYS A 115 -7.080 6.658 -11.479 1.00 24.31 H new ATOM 0 HG2 LYS A 115 -8.919 6.147 -10.071 1.00 53.52 H new ATOM 0 HG3 LYS A 115 -9.658 7.718 -10.310 1.00 53.52 H new ATOM 0 HD2 LYS A 115 -9.299 6.383 -12.872 1.00 32.04 H new ATOM 0 HD3 LYS A 115 -10.159 5.334 -11.763 1.00 32.04 H new ATOM 0 HE2 LYS A 115 -10.978 8.232 -12.001 1.00 52.11 H new ATOM 0 HE3 LYS A 115 -11.476 7.093 -13.236 1.00 52.11 H new ATOM 0 HZ1 LYS A 115 -13.136 7.285 -11.500 1.00 43.25 H new ATOM 0 HZ2 LYS A 115 -12.493 5.713 -11.516 1.00 43.25 H new ATOM 0 HZ3 LYS A 115 -12.010 6.817 -10.319 1.00 43.25 H new TER 1628 LYS A 115