USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1040 hydrogens (8 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 5 SER OG : rot 180:sc= -1.12 USER MOD Set 1.2: B 44 THR OG1 : rot 167:sc= -0.512 USER MOD Set 1.3: B 47 SER OG : rot -39:sc= 0.251 USER MOD Set 2.1: A 44 THR OG1 : rot 167:sc= -0.471 USER MOD Set 2.2: A 47 SER OG : rot -37:sc= 0.278 USER MOD Set 2.3: B 5 SER OG : rot 180:sc= -1.11 USER MOD Single : A 1 ALA N :NH3+ -104:sc= 0.135 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 167:sc= -0.605 USER MOD Single : A 14 SER OG : rot -81:sc= 1.28 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.145! USER MOD Single : A 19 LYS NZ :NH3+ 138:sc= -2.94! (180deg=-5.55!) USER MOD Single : A 23 ASN : amide:sc= -2.61! C(o=-2.6!,f=-3.3!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 47:sc= -0.227 USER MOD Single : A 32 SER OG : rot 170:sc= 0.445 USER MOD Single : A 33 SER OG : rot 180:sc= -0.15 USER MOD Single : A 36 SER OG : rot -56:sc= 1.05 USER MOD Single : A 37 GLN : amide:sc= -1.24! K(o=-1.2!,f=0) USER MOD Single : A 43 GLN : amide:sc= -2.99 K(o=-3,f=-5.3!) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0.595 (180deg=0.0221!) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -0.134 (180deg=-0.812) USER MOD Single : A 49 GLN : amide:sc= -0.678 K(o=-0.68,f=-2.6!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc=-0.00041 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 ALA N :NH3+ -112:sc= 0.138 (180deg=0) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 THR OG1 : rot 161:sc= -0.564 USER MOD Single : B 14 SER OG : rot -84:sc= 1.17 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 56:sc= 0.216! USER MOD Single : B 19 LYS NZ :NH3+ -102:sc= -2.79! (180deg=-5.57!) USER MOD Single : B 23 ASN : amide:sc= -2.5! C(o=-2.5!,f=-3.1!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 28:sc= -0.227 USER MOD Single : B 32 SER OG : rot 170:sc= 0.553 USER MOD Single : B 33 SER OG : rot 180:sc= -0.153 USER MOD Single : B 36 SER OG : rot -60:sc= 1.13 USER MOD Single : B 37 GLN : amide:sc= -1.22! K(o=-1.2!,f=0) USER MOD Single : B 43 GLN : amide:sc= -3.04! C(o=-3!,f=-5.2!) USER MOD Single : B 45 LYS NZ :NH3+ -164:sc= 0.756 (180deg=0.293!) USER MOD Single : B 48 LYS NZ :NH3+ 165:sc= -0.171 (180deg=-0.75) USER MOD Single : B 49 GLN : amide:sc= -0.654 K(o=-0.65,f=-2.4!) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc=-0.000944 USER MOD Single : B 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 62 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 ASN : amide:sc= 0 X(o=0,f=-0.00021) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.502 21.321 -8.623 1.00 0.00 N ATOM 2 CA ALA A 1 -13.198 20.120 -9.165 1.00 0.00 C ATOM 3 C ALA A 1 -13.261 19.044 -8.061 1.00 0.00 C ATOM 4 O ALA A 1 -12.538 19.132 -7.089 1.00 0.00 O ATOM 5 CB ALA A 1 -12.416 19.602 -10.393 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.201 22.061 -8.411 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.994 21.065 -7.752 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.824 21.677 -9.327 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.213 20.367 -9.475 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.916 18.723 -10.798 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.377 20.381 -11.155 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.402 19.337 -10.093 1.00 0.00 H new ATOM 13 N PRO A 2 -14.113 18.053 -8.236 1.00 0.00 N ATOM 14 CA PRO A 2 -14.243 16.968 -7.244 1.00 0.00 C ATOM 15 C PRO A 2 -12.875 16.310 -7.010 1.00 0.00 C ATOM 16 O PRO A 2 -12.264 15.784 -7.919 1.00 0.00 O ATOM 17 CB PRO A 2 -15.254 15.975 -7.868 1.00 0.00 C ATOM 18 CG PRO A 2 -15.692 16.557 -9.245 1.00 0.00 C ATOM 19 CD PRO A 2 -15.000 17.927 -9.415 1.00 0.00 C ATOM 0 HA PRO A 2 -14.586 17.321 -6.271 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.799 14.993 -7.994 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -16.117 15.845 -7.215 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -15.409 15.882 -10.053 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -16.776 16.668 -9.287 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.431 17.970 -10.344 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.729 18.737 -9.450 1.00 0.00 H new ATOM 27 N MET A 3 -12.393 16.337 -5.797 1.00 0.00 N ATOM 28 CA MET A 3 -11.072 15.715 -5.504 1.00 0.00 C ATOM 29 C MET A 3 -11.239 14.199 -5.373 1.00 0.00 C ATOM 30 O MET A 3 -12.311 13.707 -5.078 1.00 0.00 O ATOM 31 CB MET A 3 -10.519 16.287 -4.194 1.00 0.00 C ATOM 32 CG MET A 3 -10.743 17.800 -4.163 1.00 0.00 C ATOM 33 SD MET A 3 -9.992 18.490 -2.666 1.00 0.00 S ATOM 34 CE MET A 3 -11.167 19.844 -2.422 1.00 0.00 C ATOM 0 H MET A 3 -12.858 16.764 -4.996 1.00 0.00 H new ATOM 0 HA MET A 3 -10.378 15.933 -6.316 1.00 0.00 H new ATOM 0 HB2 MET A 3 -11.013 15.818 -3.343 1.00 0.00 H new ATOM 0 HB3 MET A 3 -9.455 16.064 -4.108 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.306 18.262 -5.048 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.810 18.021 -4.183 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.888 20.412 -1.535 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.152 20.500 -3.292 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.170 19.437 -2.292 1.00 0.00 H new ATOM 44 N GLY A 4 -10.190 13.451 -5.589 1.00 0.00 N ATOM 45 CA GLY A 4 -10.298 11.969 -5.474 1.00 0.00 C ATOM 46 C GLY A 4 -10.932 11.608 -4.137 1.00 0.00 C ATOM 47 O GLY A 4 -11.231 12.460 -3.325 1.00 0.00 O ATOM 0 H GLY A 4 -9.266 13.802 -5.839 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.899 11.573 -6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.311 11.514 -5.555 1.00 0.00 H new ATOM 51 N SER A 5 -11.149 10.344 -3.910 1.00 0.00 N ATOM 52 CA SER A 5 -11.777 9.905 -2.635 1.00 0.00 C ATOM 53 C SER A 5 -10.696 9.625 -1.579 1.00 0.00 C ATOM 54 O SER A 5 -10.108 10.535 -1.029 1.00 0.00 O ATOM 55 CB SER A 5 -12.580 8.644 -2.903 1.00 0.00 C ATOM 56 OG SER A 5 -13.794 8.991 -3.557 1.00 0.00 O ATOM 0 H SER A 5 -10.917 9.591 -4.558 1.00 0.00 H new ATOM 0 HA SER A 5 -12.431 10.690 -2.256 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.004 7.956 -3.522 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.792 8.128 -1.967 1.00 0.00 H new ATOM 0 HG SER A 5 -14.314 8.179 -3.733 1.00 0.00 H new ATOM 62 N ASP A 6 -10.431 8.372 -1.283 1.00 0.00 N ATOM 63 CA ASP A 6 -9.393 8.049 -0.253 1.00 0.00 C ATOM 64 C ASP A 6 -8.880 6.615 -0.463 1.00 0.00 C ATOM 65 O ASP A 6 -9.220 5.732 0.300 1.00 0.00 O ATOM 66 CB ASP A 6 -10.012 8.154 1.147 1.00 0.00 C ATOM 67 CG ASP A 6 -10.554 9.567 1.362 1.00 0.00 C ATOM 68 OD1 ASP A 6 -9.765 10.497 1.316 1.00 0.00 O ATOM 69 OD2 ASP A 6 -11.749 9.697 1.571 1.00 0.00 O ATOM 0 H ASP A 6 -10.887 7.565 -1.708 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.566 8.752 -0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.815 7.425 1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.264 7.921 1.905 1.00 0.00 H new ATOM 74 N PRO A 7 -8.084 6.412 -1.490 1.00 0.00 N ATOM 75 CA PRO A 7 -7.542 5.072 -1.790 1.00 0.00 C ATOM 76 C PRO A 7 -6.582 4.621 -0.663 1.00 0.00 C ATOM 77 O PRO A 7 -6.187 5.426 0.158 1.00 0.00 O ATOM 78 CB PRO A 7 -6.794 5.242 -3.137 1.00 0.00 C ATOM 79 CG PRO A 7 -6.897 6.742 -3.544 1.00 0.00 C ATOM 80 CD PRO A 7 -7.671 7.478 -2.428 1.00 0.00 C ATOM 0 HA PRO A 7 -8.316 4.308 -1.856 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.751 4.943 -3.037 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.236 4.606 -3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.904 7.174 -3.670 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.412 6.845 -4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.043 8.219 -1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.535 8.009 -2.829 1.00 0.00 H new ATOM 88 N PRO A 8 -6.227 3.348 -0.659 1.00 0.00 N ATOM 89 CA PRO A 8 -5.309 2.795 0.362 1.00 0.00 C ATOM 90 C PRO A 8 -3.939 3.487 0.272 1.00 0.00 C ATOM 91 O PRO A 8 -3.816 4.583 -0.239 1.00 0.00 O ATOM 92 CB PRO A 8 -5.200 1.288 0.019 1.00 0.00 C ATOM 93 CG PRO A 8 -5.944 1.064 -1.327 1.00 0.00 C ATOM 94 CD PRO A 8 -6.708 2.365 -1.654 1.00 0.00 C ATOM 0 HA PRO A 8 -5.667 2.951 1.380 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.156 0.988 -0.065 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.644 0.681 0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.237 0.824 -2.121 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.633 0.223 -1.249 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.502 2.699 -2.671 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.786 2.220 -1.578 1.00 0.00 H new ATOM 102 N THR A 9 -2.908 2.849 0.769 1.00 0.00 N ATOM 103 CA THR A 9 -1.549 3.460 0.717 1.00 0.00 C ATOM 104 C THR A 9 -0.488 2.361 0.767 1.00 0.00 C ATOM 105 O THR A 9 -0.502 1.505 1.628 1.00 0.00 O ATOM 106 CB THR A 9 -1.367 4.394 1.915 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.537 5.182 2.077 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.159 5.308 1.684 1.00 0.00 C ATOM 0 H THR A 9 -2.952 1.930 1.209 1.00 0.00 H new ATOM 0 HA THR A 9 -1.442 4.024 -0.209 1.00 0.00 H new ATOM 0 HB THR A 9 -1.197 3.801 2.814 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.512 5.629 2.949 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.035 5.971 2.541 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.738 4.701 1.562 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.320 5.903 0.785 1.00 0.00 H new ATOM 116 N ALA A 10 0.436 2.386 -0.151 1.00 0.00 N ATOM 117 CA ALA A 10 1.508 1.355 -0.166 1.00 0.00 C ATOM 118 C ALA A 10 2.436 1.563 1.030 1.00 0.00 C ATOM 119 O ALA A 10 3.483 2.170 0.913 1.00 0.00 O ATOM 120 CB ALA A 10 2.308 1.483 -1.460 1.00 0.00 C ATOM 0 H ALA A 10 0.495 3.081 -0.896 1.00 0.00 H new ATOM 0 HA ALA A 10 1.062 0.362 -0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.096 0.730 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.646 1.335 -2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.754 2.476 -1.515 1.00 0.00 H new ATOM 126 N CYS A 11 2.065 1.054 2.178 1.00 0.00 N ATOM 127 CA CYS A 11 2.921 1.203 3.396 1.00 0.00 C ATOM 128 C CYS A 11 3.535 -0.157 3.732 1.00 0.00 C ATOM 129 O CYS A 11 2.884 -1.179 3.642 1.00 0.00 O ATOM 130 CB CYS A 11 2.060 1.681 4.570 1.00 0.00 C ATOM 131 SG CYS A 11 1.246 3.239 4.128 1.00 0.00 S ATOM 0 H CYS A 11 1.198 0.537 2.325 1.00 0.00 H new ATOM 0 HA CYS A 11 3.710 1.932 3.211 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.314 0.926 4.818 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.679 1.821 5.456 1.00 0.00 H new ATOM 136 N CYS A 12 4.784 -0.182 4.103 1.00 0.00 N ATOM 137 CA CYS A 12 5.437 -1.481 4.429 1.00 0.00 C ATOM 138 C CYS A 12 4.888 -2.018 5.752 1.00 0.00 C ATOM 139 O CYS A 12 4.668 -1.280 6.692 1.00 0.00 O ATOM 140 CB CYS A 12 6.949 -1.276 4.549 1.00 0.00 C ATOM 141 SG CYS A 12 7.619 -0.769 2.946 1.00 0.00 S ATOM 0 H CYS A 12 5.381 0.640 4.195 1.00 0.00 H new ATOM 0 HA CYS A 12 5.228 -2.198 3.635 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.165 -0.518 5.302 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.427 -2.198 4.879 1.00 0.00 H new ATOM 146 N PHE A 13 4.675 -3.307 5.832 1.00 0.00 N ATOM 147 CA PHE A 13 4.150 -3.918 7.092 1.00 0.00 C ATOM 148 C PHE A 13 5.316 -4.577 7.830 1.00 0.00 C ATOM 149 O PHE A 13 5.253 -4.843 9.014 1.00 0.00 O ATOM 150 CB PHE A 13 3.105 -4.982 6.741 1.00 0.00 C ATOM 151 CG PHE A 13 3.775 -6.123 6.015 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.051 -6.016 4.638 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.134 -7.289 6.718 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.684 -7.077 3.964 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.768 -8.349 6.044 1.00 0.00 C ATOM 156 CZ PHE A 13 5.043 -8.245 4.667 1.00 0.00 C ATOM 0 H PHE A 13 4.843 -3.967 5.073 1.00 0.00 H new ATOM 0 HA PHE A 13 3.690 -3.154 7.719 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.623 -5.347 7.648 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.324 -4.548 6.117 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.777 -5.121 4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.923 -7.370 7.774 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.895 -6.996 2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.044 -9.243 6.583 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.529 -9.059 4.150 1.00 0.00 H new ATOM 166 N SER A 14 6.382 -4.837 7.125 1.00 0.00 N ATOM 167 CA SER A 14 7.571 -5.475 7.750 1.00 0.00 C ATOM 168 C SER A 14 8.806 -5.115 6.923 1.00 0.00 C ATOM 169 O SER A 14 8.827 -4.114 6.234 1.00 0.00 O ATOM 170 CB SER A 14 7.390 -6.994 7.765 1.00 0.00 C ATOM 171 OG SER A 14 7.285 -7.468 6.429 1.00 0.00 O ATOM 0 H SER A 14 6.479 -4.631 6.131 1.00 0.00 H new ATOM 0 HA SER A 14 7.690 -5.121 8.774 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.235 -7.467 8.266 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.496 -7.260 8.329 1.00 0.00 H new ATOM 0 HG SER A 14 6.371 -7.329 6.103 1.00 0.00 H new ATOM 177 N TYR A 15 9.838 -5.912 6.981 1.00 0.00 N ATOM 178 CA TYR A 15 11.066 -5.597 6.192 1.00 0.00 C ATOM 179 C TYR A 15 11.833 -6.887 5.906 1.00 0.00 C ATOM 180 O TYR A 15 11.674 -7.880 6.588 1.00 0.00 O ATOM 181 CB TYR A 15 11.959 -4.637 6.992 1.00 0.00 C ATOM 182 CG TYR A 15 11.104 -3.615 7.699 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.758 -2.415 7.051 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.650 -3.864 9.009 1.00 0.00 C ATOM 185 CE1 TYR A 15 9.958 -1.464 7.712 1.00 0.00 C ATOM 186 CE2 TYR A 15 9.849 -2.912 9.669 1.00 0.00 C ATOM 187 CZ TYR A 15 9.503 -1.712 9.021 1.00 0.00 C ATOM 188 OH TYR A 15 8.718 -0.779 9.668 1.00 0.00 O ATOM 0 H TYR A 15 9.885 -6.765 7.538 1.00 0.00 H new ATOM 0 HA TYR A 15 10.781 -5.127 5.251 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.550 -5.195 7.718 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.662 -4.138 6.325 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.106 -2.224 6.047 1.00 0.00 H new ATOM 0 HD2 TYR A 15 10.916 -4.785 9.507 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.693 -0.543 7.214 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.500 -3.103 10.673 1.00 0.00 H new ATOM 0 HH TYR A 15 8.490 -1.107 10.563 1.00 0.00 H new ATOM 198 N THR A 16 12.672 -6.878 4.906 1.00 0.00 N ATOM 199 CA THR A 16 13.451 -8.108 4.595 1.00 0.00 C ATOM 200 C THR A 16 14.297 -8.474 5.816 1.00 0.00 C ATOM 201 O THR A 16 14.066 -7.987 6.905 1.00 0.00 O ATOM 202 CB THR A 16 14.344 -7.862 3.370 1.00 0.00 C ATOM 203 OG1 THR A 16 15.220 -8.965 3.188 1.00 0.00 O ATOM 204 CG2 THR A 16 15.164 -6.586 3.565 1.00 0.00 C ATOM 0 H THR A 16 12.850 -6.080 4.297 1.00 0.00 H new ATOM 0 HA THR A 16 12.777 -8.932 4.364 1.00 0.00 H new ATOM 0 HB THR A 16 13.712 -7.749 2.489 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.787 -8.806 2.405 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.794 -6.421 2.691 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.492 -5.738 3.693 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.792 -6.689 4.450 1.00 0.00 H new ATOM 212 N ALA A 17 15.272 -9.328 5.654 1.00 0.00 N ATOM 213 CA ALA A 17 16.128 -9.723 6.813 1.00 0.00 C ATOM 214 C ALA A 17 17.564 -9.908 6.330 1.00 0.00 C ATOM 215 O ALA A 17 18.391 -10.483 7.010 1.00 0.00 O ATOM 216 CB ALA A 17 15.616 -11.042 7.395 1.00 0.00 C ATOM 0 H ALA A 17 15.514 -9.771 4.767 1.00 0.00 H new ATOM 0 HA ALA A 17 16.092 -8.949 7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.239 -11.333 8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.586 -10.917 7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.658 -11.818 6.630 1.00 0.00 H new ATOM 222 N ARG A 18 17.864 -9.424 5.154 1.00 0.00 N ATOM 223 CA ARG A 18 19.246 -9.563 4.605 1.00 0.00 C ATOM 224 C ARG A 18 19.627 -8.275 3.872 1.00 0.00 C ATOM 225 O ARG A 18 18.908 -7.803 3.014 1.00 0.00 O ATOM 226 CB ARG A 18 19.284 -10.735 3.613 1.00 0.00 C ATOM 227 CG ARG A 18 19.260 -12.081 4.364 1.00 0.00 C ATOM 228 CD ARG A 18 20.661 -12.458 4.874 1.00 0.00 C ATOM 229 NE ARG A 18 21.691 -12.271 3.796 1.00 0.00 N ATOM 230 CZ ARG A 18 21.573 -12.844 2.626 1.00 0.00 C ATOM 231 NH1 ARG A 18 20.665 -13.758 2.421 1.00 0.00 N ATOM 232 NH2 ARG A 18 22.413 -12.543 1.672 1.00 0.00 N ATOM 0 H ARG A 18 17.207 -8.935 4.546 1.00 0.00 H new ATOM 0 HA ARG A 18 19.947 -9.748 5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.431 -10.674 2.937 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.183 -10.670 2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.569 -12.019 5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.888 -12.863 3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.916 -11.843 5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.664 -13.495 5.209 1.00 0.00 H new ATOM 0 HE ARG A 18 22.503 -11.682 3.981 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.038 -14.033 3.177 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.582 -14.198 1.505 1.00 0.00 H new ATOM 0 HH21 ARG A 18 23.156 -11.865 1.842 1.00 0.00 H new ATOM 0 HH22 ARG A 18 22.326 -12.986 0.757 1.00 0.00 H new ATOM 246 N LYS A 19 20.758 -7.711 4.192 1.00 0.00 N ATOM 247 CA LYS A 19 21.187 -6.464 3.501 1.00 0.00 C ATOM 248 C LYS A 19 21.378 -6.783 2.015 1.00 0.00 C ATOM 249 O LYS A 19 22.094 -7.695 1.653 1.00 0.00 O ATOM 250 CB LYS A 19 22.505 -5.972 4.129 1.00 0.00 C ATOM 251 CG LYS A 19 23.090 -4.777 3.349 1.00 0.00 C ATOM 252 CD LYS A 19 24.552 -4.552 3.757 1.00 0.00 C ATOM 253 CE LYS A 19 24.682 -4.515 5.283 1.00 0.00 C ATOM 254 NZ LYS A 19 24.716 -5.908 5.814 1.00 0.00 N ATOM 0 H LYS A 19 21.403 -8.059 4.901 1.00 0.00 H new ATOM 0 HA LYS A 19 20.439 -5.679 3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.330 -5.681 5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.229 -6.787 4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 19 23.027 -4.965 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.505 -3.879 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 19 25.176 -5.349 3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 19 24.915 -3.616 3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.590 -3.984 5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 19 23.844 -3.970 5.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 25.437 -5.978 6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 23.785 -6.152 6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 24.949 -6.567 5.044 1.00 0.00 H new ATOM 268 N LEU A 20 20.739 -6.039 1.153 1.00 0.00 N ATOM 269 CA LEU A 20 20.884 -6.304 -0.304 1.00 0.00 C ATOM 270 C LEU A 20 22.288 -5.850 -0.766 1.00 0.00 C ATOM 271 O LEU A 20 22.626 -4.700 -0.566 1.00 0.00 O ATOM 272 CB LEU A 20 19.839 -5.489 -1.074 1.00 0.00 C ATOM 273 CG LEU A 20 18.470 -5.613 -0.408 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.424 -4.940 -1.298 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.107 -7.090 -0.227 1.00 0.00 C ATOM 0 H LEU A 20 20.125 -5.262 1.395 1.00 0.00 H new ATOM 0 HA LEU A 20 20.747 -7.369 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.139 -4.442 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.782 -5.840 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 20 18.497 -5.132 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.442 -5.023 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.678 -3.888 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.406 -5.429 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.129 -7.169 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.077 -7.579 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.856 -7.574 0.400 1.00 0.00 H new ATOM 287 N PRO A 21 23.075 -6.718 -1.382 1.00 0.00 N ATOM 288 CA PRO A 21 24.411 -6.309 -1.854 1.00 0.00 C ATOM 289 C PRO A 21 24.279 -5.092 -2.772 1.00 0.00 C ATOM 290 O PRO A 21 23.336 -4.980 -3.528 1.00 0.00 O ATOM 291 CB PRO A 21 24.954 -7.528 -2.632 1.00 0.00 C ATOM 292 CG PRO A 21 23.968 -8.706 -2.391 1.00 0.00 C ATOM 293 CD PRO A 21 22.735 -8.135 -1.657 1.00 0.00 C ATOM 0 HA PRO A 21 25.077 -6.027 -1.039 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.030 -7.302 -3.696 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.955 -7.788 -2.289 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.675 -9.160 -3.337 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.441 -9.487 -1.796 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.838 -8.214 -2.272 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.538 -8.680 -0.734 1.00 0.00 H new ATOM 301 N ARG A 22 25.221 -4.193 -2.733 1.00 0.00 N ATOM 302 CA ARG A 22 25.140 -3.010 -3.631 1.00 0.00 C ATOM 303 C ARG A 22 24.881 -3.498 -5.057 1.00 0.00 C ATOM 304 O ARG A 22 24.190 -2.865 -5.830 1.00 0.00 O ATOM 305 CB ARG A 22 26.452 -2.233 -3.583 1.00 0.00 C ATOM 306 CG ARG A 22 26.335 -0.993 -4.479 1.00 0.00 C ATOM 307 CD ARG A 22 27.576 -0.095 -4.325 1.00 0.00 C ATOM 308 NE ARG A 22 27.166 1.344 -4.393 1.00 0.00 N ATOM 309 CZ ARG A 22 26.377 1.781 -5.340 1.00 0.00 C ATOM 310 NH1 ARG A 22 26.064 1.015 -6.349 1.00 0.00 N ATOM 311 NH2 ARG A 22 25.942 3.010 -5.304 1.00 0.00 N ATOM 0 H ARG A 22 26.038 -4.225 -2.123 1.00 0.00 H new ATOM 0 HA ARG A 22 24.332 -2.354 -3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.676 -1.937 -2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.275 -2.864 -3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 22 26.227 -1.298 -5.520 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.438 -0.432 -4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 22 28.069 -0.299 -3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 22 28.297 -0.316 -5.112 1.00 0.00 H new ATOM 0 HE ARG A 22 27.509 1.996 -3.687 1.00 0.00 H new ATOM 0 HH11 ARG A 22 26.435 0.067 -6.404 1.00 0.00 H new ATOM 0 HH12 ARG A 22 25.448 1.365 -7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 22 26.217 3.626 -4.539 1.00 0.00 H new ATOM 0 HH22 ARG A 22 25.326 3.355 -6.041 1.00 0.00 H new ATOM 325 N ASN A 23 25.432 -4.631 -5.404 1.00 0.00 N ATOM 326 CA ASN A 23 25.222 -5.179 -6.773 1.00 0.00 C ATOM 327 C ASN A 23 23.799 -5.733 -6.897 1.00 0.00 C ATOM 328 O ASN A 23 23.500 -6.500 -7.790 1.00 0.00 O ATOM 329 CB ASN A 23 26.234 -6.299 -7.037 1.00 0.00 C ATOM 330 CG ASN A 23 25.937 -7.488 -6.121 1.00 0.00 C ATOM 331 OD1 ASN A 23 24.866 -8.060 -6.176 1.00 0.00 O ATOM 332 ND2 ASN A 23 26.846 -7.887 -5.275 1.00 0.00 N ATOM 0 H ASN A 23 26.020 -5.201 -4.796 1.00 0.00 H new ATOM 0 HA ASN A 23 25.362 -4.383 -7.504 1.00 0.00 H new ATOM 0 HB2 ASN A 23 26.183 -6.610 -8.081 1.00 0.00 H new ATOM 0 HB3 ASN A 23 27.247 -5.936 -6.861 1.00 0.00 H new ATOM 0 HD21 ASN A 23 26.658 -8.679 -4.660 1.00 0.00 H new ATOM 0 HD22 ASN A 23 27.745 -7.407 -5.228 1.00 0.00 H new ATOM 339 N PHE A 24 22.918 -5.355 -6.003 1.00 0.00 N ATOM 340 CA PHE A 24 21.510 -5.866 -6.062 1.00 0.00 C ATOM 341 C PHE A 24 20.554 -4.714 -5.737 1.00 0.00 C ATOM 342 O PHE A 24 19.467 -4.916 -5.235 1.00 0.00 O ATOM 343 CB PHE A 24 21.341 -6.993 -5.026 1.00 0.00 C ATOM 344 CG PHE A 24 20.179 -7.888 -5.402 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.215 -8.611 -6.611 1.00 0.00 C ATOM 346 CD2 PHE A 24 19.069 -8.014 -4.541 1.00 0.00 C ATOM 347 CE1 PHE A 24 19.146 -9.453 -6.960 1.00 0.00 C ATOM 348 CE2 PHE A 24 17.997 -8.858 -4.892 1.00 0.00 C ATOM 349 CZ PHE A 24 18.036 -9.577 -6.102 1.00 0.00 C ATOM 0 H PHE A 24 23.112 -4.714 -5.234 1.00 0.00 H new ATOM 0 HA PHE A 24 21.289 -6.254 -7.056 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.257 -7.581 -4.967 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.173 -6.565 -4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 24 21.065 -8.518 -7.270 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.041 -7.463 -3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 24 19.175 -10.006 -7.887 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.146 -8.953 -4.234 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.214 -10.224 -6.372 1.00 0.00 H new ATOM 359 N VAL A 25 20.960 -3.507 -6.025 1.00 0.00 N ATOM 360 CA VAL A 25 20.094 -2.325 -5.743 1.00 0.00 C ATOM 361 C VAL A 25 20.386 -1.246 -6.786 1.00 0.00 C ATOM 362 O VAL A 25 21.243 -0.406 -6.603 1.00 0.00 O ATOM 363 CB VAL A 25 20.410 -1.780 -4.347 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.449 -0.639 -4.010 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.249 -2.895 -3.311 1.00 0.00 C ATOM 0 H VAL A 25 21.862 -3.287 -6.447 1.00 0.00 H new ATOM 0 HA VAL A 25 19.044 -2.614 -5.786 1.00 0.00 H new ATOM 0 HB VAL A 25 21.435 -1.411 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.676 -0.253 -3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.561 0.160 -4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.424 -1.009 -4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.474 -2.505 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.224 -3.265 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.934 -3.710 -3.544 1.00 0.00 H new ATOM 375 N VAL A 26 19.686 -1.272 -7.887 1.00 0.00 N ATOM 376 CA VAL A 26 19.926 -0.260 -8.951 1.00 0.00 C ATOM 377 C VAL A 26 19.152 1.014 -8.630 1.00 0.00 C ATOM 378 O VAL A 26 19.360 2.046 -9.237 1.00 0.00 O ATOM 379 CB VAL A 26 19.454 -0.821 -10.290 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.402 -1.934 -10.737 1.00 0.00 C ATOM 381 CG2 VAL A 26 18.041 -1.390 -10.134 1.00 0.00 C ATOM 0 H VAL A 26 18.956 -1.953 -8.095 1.00 0.00 H new ATOM 0 HA VAL A 26 20.990 -0.029 -9.004 1.00 0.00 H new ATOM 0 HB VAL A 26 19.447 -0.026 -11.036 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.066 -2.336 -11.693 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.409 -1.532 -10.846 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.407 -2.729 -9.991 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.703 -1.791 -11.089 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.049 -2.186 -9.389 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.364 -0.599 -9.812 1.00 0.00 H new ATOM 391 N ASP A 27 18.260 0.956 -7.683 1.00 0.00 N ATOM 392 CA ASP A 27 17.480 2.175 -7.336 1.00 0.00 C ATOM 393 C ASP A 27 16.689 1.920 -6.060 1.00 0.00 C ATOM 394 O ASP A 27 16.838 0.899 -5.418 1.00 0.00 O ATOM 395 CB ASP A 27 16.513 2.499 -8.479 1.00 0.00 C ATOM 396 CG ASP A 27 15.964 3.916 -8.297 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.755 4.845 -8.315 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.761 4.047 -8.142 1.00 0.00 O ATOM 0 H ASP A 27 18.038 0.123 -7.137 1.00 0.00 H new ATOM 0 HA ASP A 27 18.158 3.014 -7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.025 2.416 -9.437 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.694 1.779 -8.492 1.00 0.00 H new ATOM 403 N TYR A 28 15.843 2.837 -5.685 1.00 0.00 N ATOM 404 CA TYR A 28 15.039 2.641 -4.451 1.00 0.00 C ATOM 405 C TYR A 28 13.766 3.476 -4.526 1.00 0.00 C ATOM 406 O TYR A 28 13.464 4.093 -5.529 1.00 0.00 O ATOM 407 CB TYR A 28 15.855 3.034 -3.214 1.00 0.00 C ATOM 408 CG TYR A 28 15.983 4.541 -3.110 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.659 5.265 -4.111 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.435 5.220 -2.003 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.786 6.662 -4.006 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.562 6.616 -1.895 1.00 0.00 C ATOM 413 CZ TYR A 28 16.239 7.339 -2.897 1.00 0.00 C ATOM 414 OH TYR A 28 16.366 8.709 -2.793 1.00 0.00 O ATOM 0 H TYR A 28 15.674 3.713 -6.180 1.00 0.00 H new ATOM 0 HA TYR A 28 14.771 1.588 -4.369 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.375 2.643 -2.317 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.846 2.583 -3.268 1.00 0.00 H new ATOM 0 HD1 TYR A 28 17.080 4.747 -4.960 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.916 4.666 -1.235 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.303 7.216 -4.775 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.141 7.133 -1.045 1.00 0.00 H new ATOM 0 HH TYR A 28 15.932 9.016 -1.970 1.00 0.00 H new ATOM 424 N TYR A 29 13.014 3.478 -3.471 1.00 0.00 N ATOM 425 CA TYR A 29 11.744 4.243 -3.452 1.00 0.00 C ATOM 426 C TYR A 29 11.308 4.413 -1.992 1.00 0.00 C ATOM 427 O TYR A 29 11.496 3.531 -1.185 1.00 0.00 O ATOM 428 CB TYR A 29 10.704 3.448 -4.255 1.00 0.00 C ATOM 429 CG TYR A 29 9.305 3.906 -3.924 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.850 5.155 -4.379 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.456 3.078 -3.164 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.542 5.581 -4.073 1.00 0.00 C ATOM 433 CE2 TYR A 29 7.150 3.503 -2.858 1.00 0.00 C ATOM 434 CZ TYR A 29 6.693 4.754 -3.311 1.00 0.00 C ATOM 435 OH TYR A 29 5.412 5.171 -3.011 1.00 0.00 O ATOM 0 H TYR A 29 13.227 2.976 -2.609 1.00 0.00 H new ATOM 0 HA TYR A 29 11.857 5.231 -3.898 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.889 3.573 -5.322 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.804 2.385 -4.036 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.502 5.788 -4.963 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.807 2.118 -2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.191 6.541 -4.422 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.498 2.869 -2.275 1.00 0.00 H new ATOM 0 HH TYR A 29 4.960 4.483 -2.480 1.00 0.00 H new ATOM 445 N GLU A 30 10.735 5.535 -1.640 1.00 0.00 N ATOM 446 CA GLU A 30 10.294 5.744 -0.223 1.00 0.00 C ATOM 447 C GLU A 30 8.784 5.501 -0.120 1.00 0.00 C ATOM 448 O GLU A 30 8.057 5.622 -1.085 1.00 0.00 O ATOM 449 CB GLU A 30 10.614 7.179 0.202 1.00 0.00 C ATOM 450 CG GLU A 30 12.108 7.305 0.507 1.00 0.00 C ATOM 451 CD GLU A 30 12.410 8.723 0.996 1.00 0.00 C ATOM 452 OE1 GLU A 30 12.079 9.657 0.283 1.00 0.00 O ATOM 453 OE2 GLU A 30 12.968 8.851 2.073 1.00 0.00 O ATOM 0 H GLU A 30 10.552 6.316 -2.270 1.00 0.00 H new ATOM 0 HA GLU A 30 10.819 5.047 0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.335 7.874 -0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.029 7.447 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.398 6.578 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.692 7.084 -0.386 1.00 0.00 H new ATOM 460 N THR A 31 8.313 5.149 1.046 1.00 0.00 N ATOM 461 CA THR A 31 6.852 4.883 1.223 1.00 0.00 C ATOM 462 C THR A 31 6.063 6.193 1.218 1.00 0.00 C ATOM 463 O THR A 31 6.566 7.239 0.858 1.00 0.00 O ATOM 464 CB THR A 31 6.635 4.172 2.560 1.00 0.00 C ATOM 465 OG1 THR A 31 7.387 4.836 3.558 1.00 0.00 O ATOM 466 CG2 THR A 31 7.092 2.716 2.441 1.00 0.00 C ATOM 0 H THR A 31 8.877 5.033 1.888 1.00 0.00 H new ATOM 0 HA THR A 31 6.503 4.260 0.400 1.00 0.00 H new ATOM 0 HB THR A 31 5.579 4.191 2.828 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.244 5.803 3.486 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.938 2.207 3.393 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.514 2.215 1.664 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.150 2.687 2.181 1.00 0.00 H new ATOM 474 N SER A 32 4.821 6.132 1.619 1.00 0.00 N ATOM 475 CA SER A 32 3.971 7.355 1.650 1.00 0.00 C ATOM 476 C SER A 32 4.184 8.096 2.969 1.00 0.00 C ATOM 477 O SER A 32 5.273 8.141 3.506 1.00 0.00 O ATOM 478 CB SER A 32 2.501 6.952 1.533 1.00 0.00 C ATOM 479 OG SER A 32 1.707 8.118 1.364 1.00 0.00 O ATOM 0 H SER A 32 4.356 5.279 1.929 1.00 0.00 H new ATOM 0 HA SER A 32 4.244 8.005 0.819 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.363 6.278 0.687 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.188 6.411 2.426 1.00 0.00 H new ATOM 0 HG SER A 32 0.792 7.859 1.128 1.00 0.00 H new ATOM 485 N SER A 33 3.140 8.679 3.489 1.00 0.00 N ATOM 486 CA SER A 33 3.245 9.431 4.775 1.00 0.00 C ATOM 487 C SER A 33 1.980 9.185 5.591 1.00 0.00 C ATOM 488 O SER A 33 2.015 9.091 6.802 1.00 0.00 O ATOM 489 CB SER A 33 3.354 10.921 4.473 1.00 0.00 C ATOM 490 OG SER A 33 2.058 11.445 4.220 1.00 0.00 O ATOM 0 H SER A 33 2.208 8.667 3.075 1.00 0.00 H new ATOM 0 HA SER A 33 4.122 9.100 5.330 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.811 11.442 5.314 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.999 11.082 3.609 1.00 0.00 H new ATOM 0 HG SER A 33 2.125 12.404 4.027 1.00 0.00 H new ATOM 496 N LEU A 34 0.865 9.091 4.920 1.00 0.00 N ATOM 497 CA LEU A 34 -0.438 8.857 5.613 1.00 0.00 C ATOM 498 C LEU A 34 -0.261 7.862 6.761 1.00 0.00 C ATOM 499 O LEU A 34 -0.571 8.149 7.900 1.00 0.00 O ATOM 500 CB LEU A 34 -1.448 8.286 4.615 1.00 0.00 C ATOM 501 CG LEU A 34 -1.354 9.031 3.283 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.498 8.581 2.373 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.454 10.541 3.527 1.00 0.00 C ATOM 0 H LEU A 34 0.799 9.167 3.905 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.797 9.806 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.257 7.224 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.457 8.373 5.018 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.399 8.809 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.436 9.109 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.423 7.508 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.452 8.805 2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.387 11.069 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.408 10.770 4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.639 10.859 4.177 1.00 0.00 H new ATOM 515 N CYS A 35 0.234 6.696 6.465 1.00 0.00 N ATOM 516 CA CYS A 35 0.428 5.685 7.539 1.00 0.00 C ATOM 517 C CYS A 35 1.558 6.148 8.464 1.00 0.00 C ATOM 518 O CYS A 35 2.624 6.518 8.023 1.00 0.00 O ATOM 519 CB CYS A 35 0.774 4.327 6.914 1.00 0.00 C ATOM 520 SG CYS A 35 1.896 4.562 5.513 1.00 0.00 S ATOM 0 H CYS A 35 0.512 6.399 5.530 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.489 5.578 8.118 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.239 3.682 7.659 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.136 3.827 6.583 1.00 0.00 H new ATOM 525 N SER A 36 1.315 6.156 9.744 1.00 0.00 N ATOM 526 CA SER A 36 2.356 6.613 10.712 1.00 0.00 C ATOM 527 C SER A 36 3.562 5.658 10.734 1.00 0.00 C ATOM 528 O SER A 36 4.190 5.488 11.760 1.00 0.00 O ATOM 529 CB SER A 36 1.745 6.681 12.111 1.00 0.00 C ATOM 530 OG SER A 36 2.776 6.888 13.066 1.00 0.00 O ATOM 0 H SER A 36 0.434 5.864 10.167 1.00 0.00 H new ATOM 0 HA SER A 36 2.705 7.597 10.398 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.018 7.491 12.163 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.210 5.757 12.332 1.00 0.00 H new ATOM 0 HG SER A 36 3.444 6.175 12.986 1.00 0.00 H new ATOM 536 N GLN A 37 3.906 5.028 9.637 1.00 0.00 N ATOM 537 CA GLN A 37 5.080 4.098 9.670 1.00 0.00 C ATOM 538 C GLN A 37 5.705 3.948 8.273 1.00 0.00 C ATOM 539 O GLN A 37 5.677 2.872 7.713 1.00 0.00 O ATOM 540 CB GLN A 37 4.618 2.724 10.167 1.00 0.00 C ATOM 541 CG GLN A 37 3.325 2.325 9.452 1.00 0.00 C ATOM 542 CD GLN A 37 2.893 0.933 9.918 1.00 0.00 C ATOM 543 OE1 GLN A 37 1.864 0.435 9.508 1.00 0.00 O ATOM 544 NE2 GLN A 37 3.642 0.280 10.766 1.00 0.00 N ATOM 0 H GLN A 37 3.436 5.114 8.736 1.00 0.00 H new ATOM 0 HA GLN A 37 5.832 4.512 10.342 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.392 1.980 9.981 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.455 2.752 11.244 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.540 3.051 9.665 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.478 2.328 8.373 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.506 0.698 11.110 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.363 -0.648 11.084 1.00 0.00 H new ATOM 553 N PRO A 38 6.275 5.016 7.755 1.00 0.00 N ATOM 554 CA PRO A 38 6.931 4.978 6.431 1.00 0.00 C ATOM 555 C PRO A 38 8.199 4.112 6.521 1.00 0.00 C ATOM 556 O PRO A 38 8.557 3.620 7.573 1.00 0.00 O ATOM 557 CB PRO A 38 7.283 6.452 6.123 1.00 0.00 C ATOM 558 CG PRO A 38 6.980 7.281 7.407 1.00 0.00 C ATOM 559 CD PRO A 38 6.307 6.334 8.426 1.00 0.00 C ATOM 0 HA PRO A 38 6.303 4.548 5.651 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.333 6.546 5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.696 6.819 5.281 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.899 7.697 7.820 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.326 8.121 7.175 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.872 6.290 9.357 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.302 6.674 8.678 1.00 0.00 H new ATOM 567 N ALA A 39 8.874 3.936 5.424 1.00 0.00 N ATOM 568 CA ALA A 39 10.113 3.122 5.415 1.00 0.00 C ATOM 569 C ALA A 39 10.802 3.327 4.070 1.00 0.00 C ATOM 570 O ALA A 39 10.229 3.893 3.160 1.00 0.00 O ATOM 571 CB ALA A 39 9.760 1.643 5.593 1.00 0.00 C ATOM 0 H ALA A 39 8.614 4.329 4.519 1.00 0.00 H new ATOM 0 HA ALA A 39 10.772 3.425 6.229 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.673 1.048 5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.243 1.504 6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.112 1.323 4.777 1.00 0.00 H new ATOM 577 N VAL A 40 12.011 2.858 3.917 1.00 0.00 N ATOM 578 CA VAL A 40 12.706 3.014 2.604 1.00 0.00 C ATOM 579 C VAL A 40 12.507 1.718 1.826 1.00 0.00 C ATOM 580 O VAL A 40 12.466 0.645 2.394 1.00 0.00 O ATOM 581 CB VAL A 40 14.201 3.277 2.826 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.969 3.050 1.520 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.391 4.728 3.267 1.00 0.00 C ATOM 0 H VAL A 40 12.546 2.376 4.639 1.00 0.00 H new ATOM 0 HA VAL A 40 12.297 3.859 2.050 1.00 0.00 H new ATOM 0 HB VAL A 40 14.577 2.597 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 40 16.030 3.238 1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.830 2.020 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.594 3.730 0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.451 4.924 3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.011 5.396 2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.846 4.901 4.195 1.00 0.00 H new ATOM 593 N VAL A 41 12.355 1.818 0.535 1.00 0.00 N ATOM 594 CA VAL A 41 12.122 0.603 -0.308 1.00 0.00 C ATOM 595 C VAL A 41 13.233 0.475 -1.356 1.00 0.00 C ATOM 596 O VAL A 41 13.412 1.335 -2.188 1.00 0.00 O ATOM 597 CB VAL A 41 10.760 0.752 -0.995 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.250 -0.609 -1.457 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.759 1.346 0.002 1.00 0.00 C ATOM 0 H VAL A 41 12.382 2.697 0.019 1.00 0.00 H new ATOM 0 HA VAL A 41 12.131 -0.294 0.311 1.00 0.00 H new ATOM 0 HB VAL A 41 10.868 1.406 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.282 -0.489 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.959 -1.043 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.144 -1.269 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.787 1.455 -0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.665 0.683 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.112 2.323 0.333 1.00 0.00 H new ATOM 609 N PHE A 42 13.991 -0.590 -1.319 1.00 0.00 N ATOM 610 CA PHE A 42 15.097 -0.756 -2.311 1.00 0.00 C ATOM 611 C PHE A 42 14.599 -1.511 -3.547 1.00 0.00 C ATOM 612 O PHE A 42 13.887 -2.490 -3.450 1.00 0.00 O ATOM 613 CB PHE A 42 16.245 -1.550 -1.676 1.00 0.00 C ATOM 614 CG PHE A 42 17.005 -0.673 -0.706 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.709 0.453 -1.179 1.00 0.00 C ATOM 616 CD2 PHE A 42 17.015 -0.982 0.668 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.422 1.266 -0.277 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.729 -0.170 1.568 1.00 0.00 C ATOM 619 CZ PHE A 42 18.432 0.956 1.095 1.00 0.00 C ATOM 0 H PHE A 42 13.893 -1.351 -0.647 1.00 0.00 H new ATOM 0 HA PHE A 42 15.445 0.233 -2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.851 -2.424 -1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.917 -1.916 -2.452 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.702 0.692 -2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.474 -1.843 1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.962 2.129 -0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.738 -0.410 2.621 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.978 1.581 1.786 1.00 0.00 H new ATOM 629 N GLN A 43 15.003 -1.070 -4.711 1.00 0.00 N ATOM 630 CA GLN A 43 14.603 -1.754 -5.976 1.00 0.00 C ATOM 631 C GLN A 43 15.788 -2.616 -6.426 1.00 0.00 C ATOM 632 O GLN A 43 16.885 -2.114 -6.608 1.00 0.00 O ATOM 633 CB GLN A 43 14.281 -0.693 -7.031 1.00 0.00 C ATOM 634 CG GLN A 43 13.056 0.112 -6.589 1.00 0.00 C ATOM 635 CD GLN A 43 12.951 1.387 -7.429 1.00 0.00 C ATOM 636 OE1 GLN A 43 12.520 2.413 -6.943 1.00 0.00 O ATOM 637 NE2 GLN A 43 13.331 1.364 -8.676 1.00 0.00 N ATOM 0 H GLN A 43 15.601 -0.254 -4.839 1.00 0.00 H new ATOM 0 HA GLN A 43 13.722 -2.379 -5.832 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.135 -0.030 -7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.089 -1.168 -7.993 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.153 -0.487 -6.705 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.137 0.366 -5.532 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.693 0.502 -9.083 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.266 2.208 -9.244 1.00 0.00 H new ATOM 646 N THR A 44 15.604 -3.915 -6.564 1.00 0.00 N ATOM 647 CA THR A 44 16.764 -4.795 -6.946 1.00 0.00 C ATOM 648 C THR A 44 16.799 -5.081 -8.448 1.00 0.00 C ATOM 649 O THR A 44 16.214 -4.381 -9.251 1.00 0.00 O ATOM 650 CB THR A 44 16.662 -6.126 -6.201 1.00 0.00 C ATOM 651 OG1 THR A 44 15.752 -6.974 -6.886 1.00 0.00 O ATOM 652 CG2 THR A 44 16.156 -5.883 -4.779 1.00 0.00 C ATOM 0 H THR A 44 14.715 -4.397 -6.431 1.00 0.00 H new ATOM 0 HA THR A 44 17.677 -4.265 -6.676 1.00 0.00 H new ATOM 0 HB THR A 44 17.645 -6.596 -6.158 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.834 -7.888 -6.542 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.084 -6.834 -4.251 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.850 -5.227 -4.253 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.173 -5.415 -4.818 1.00 0.00 H new ATOM 660 N LYS A 45 17.512 -6.120 -8.820 1.00 0.00 N ATOM 661 CA LYS A 45 17.644 -6.501 -10.260 1.00 0.00 C ATOM 662 C LYS A 45 16.841 -7.777 -10.543 1.00 0.00 C ATOM 663 O LYS A 45 16.468 -8.041 -11.670 1.00 0.00 O ATOM 664 CB LYS A 45 19.122 -6.772 -10.572 1.00 0.00 C ATOM 665 CG LYS A 45 19.998 -5.663 -9.984 1.00 0.00 C ATOM 666 CD LYS A 45 21.469 -5.970 -10.284 1.00 0.00 C ATOM 667 CE LYS A 45 22.324 -4.731 -10.008 1.00 0.00 C ATOM 668 NZ LYS A 45 23.756 -5.129 -9.907 1.00 0.00 N ATOM 0 H LYS A 45 18.015 -6.728 -8.174 1.00 0.00 H new ATOM 0 HA LYS A 45 17.265 -5.689 -10.880 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.418 -7.736 -10.159 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.269 -6.828 -11.651 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.721 -4.699 -10.411 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.841 -5.592 -8.908 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.809 -6.802 -9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.581 -6.276 -11.324 1.00 0.00 H new ATOM 0 HE2 LYS A 45 22.194 -4.001 -10.807 1.00 0.00 H new ATOM 0 HE3 LYS A 45 22.002 -4.252 -9.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 24.315 -4.326 -9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.848 -5.930 -9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.106 -5.409 -10.846 1.00 0.00 H new ATOM 682 N ARG A 46 16.579 -8.576 -9.532 1.00 0.00 N ATOM 683 CA ARG A 46 15.803 -9.846 -9.738 1.00 0.00 C ATOM 684 C ARG A 46 14.708 -9.927 -8.675 1.00 0.00 C ATOM 685 O ARG A 46 14.578 -10.893 -7.954 1.00 0.00 O ATOM 686 CB ARG A 46 16.763 -11.050 -9.625 1.00 0.00 C ATOM 687 CG ARG A 46 16.035 -12.413 -9.764 1.00 0.00 C ATOM 688 CD ARG A 46 14.895 -12.351 -10.789 1.00 0.00 C ATOM 689 NE ARG A 46 14.411 -13.732 -11.068 1.00 0.00 N ATOM 690 CZ ARG A 46 13.270 -13.913 -11.673 1.00 0.00 C ATOM 691 NH1 ARG A 46 12.552 -12.884 -12.035 1.00 0.00 N ATOM 692 NH2 ARG A 46 12.846 -15.123 -11.919 1.00 0.00 N ATOM 0 H ARG A 46 16.870 -8.403 -8.570 1.00 0.00 H new ATOM 0 HA ARG A 46 15.343 -9.860 -10.726 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.529 -10.972 -10.396 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.274 -11.012 -8.663 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.751 -13.178 -10.063 1.00 0.00 H new ATOM 0 HG3 ARG A 46 15.636 -12.712 -8.795 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.079 -11.737 -10.407 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.243 -11.882 -11.709 1.00 0.00 H new ATOM 0 HE ARG A 46 14.972 -14.536 -10.786 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.884 -11.938 -11.845 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.660 -13.026 -12.508 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.407 -15.927 -11.638 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.954 -15.264 -12.392 1.00 0.00 H new ATOM 706 N SER A 47 13.912 -8.908 -8.588 1.00 0.00 N ATOM 707 CA SER A 47 12.810 -8.894 -7.605 1.00 0.00 C ATOM 708 C SER A 47 11.878 -7.750 -7.980 1.00 0.00 C ATOM 709 O SER A 47 11.369 -7.687 -9.080 1.00 0.00 O ATOM 710 CB SER A 47 13.368 -8.696 -6.190 1.00 0.00 C ATOM 711 OG SER A 47 14.482 -9.558 -6.000 1.00 0.00 O ATOM 0 H SER A 47 13.981 -8.071 -9.167 1.00 0.00 H new ATOM 0 HA SER A 47 12.269 -9.840 -7.616 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.668 -7.658 -6.047 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.597 -8.910 -5.449 1.00 0.00 H new ATOM 0 HG SER A 47 14.318 -10.410 -6.456 1.00 0.00 H new ATOM 717 N LYS A 48 11.678 -6.839 -7.093 1.00 0.00 N ATOM 718 CA LYS A 48 10.802 -5.678 -7.389 1.00 0.00 C ATOM 719 C LYS A 48 11.177 -4.572 -6.416 1.00 0.00 C ATOM 720 O LYS A 48 12.108 -3.819 -6.626 1.00 0.00 O ATOM 721 CB LYS A 48 9.323 -6.060 -7.185 1.00 0.00 C ATOM 722 CG LYS A 48 8.779 -6.805 -8.416 1.00 0.00 C ATOM 723 CD LYS A 48 7.247 -6.831 -8.369 1.00 0.00 C ATOM 724 CE LYS A 48 6.704 -7.401 -9.683 1.00 0.00 C ATOM 725 NZ LYS A 48 7.612 -8.476 -10.172 1.00 0.00 N ATOM 0 H LYS A 48 12.087 -6.842 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 48 10.933 -5.356 -8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.223 -6.688 -6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.732 -5.162 -7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.116 -6.314 -9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.169 -7.823 -8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.909 -7.439 -7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.861 -5.824 -8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.701 -7.799 -9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.624 -6.610 -10.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.123 -9.041 -10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.466 -8.048 -10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.882 -9.090 -9.377 1.00 0.00 H new ATOM 739 N GLN A 49 10.454 -4.501 -5.333 1.00 0.00 N ATOM 740 CA GLN A 49 10.719 -3.482 -4.284 1.00 0.00 C ATOM 741 C GLN A 49 10.924 -4.223 -2.954 1.00 0.00 C ATOM 742 O GLN A 49 10.298 -5.238 -2.700 1.00 0.00 O ATOM 743 CB GLN A 49 9.492 -2.547 -4.205 1.00 0.00 C ATOM 744 CG GLN A 49 9.770 -1.229 -4.941 1.00 0.00 C ATOM 745 CD GLN A 49 8.590 -0.275 -4.741 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.628 -0.610 -4.079 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.624 0.909 -5.290 1.00 0.00 N ATOM 0 H GLN A 49 9.672 -5.123 -5.128 1.00 0.00 H new ATOM 0 HA GLN A 49 11.605 -2.888 -4.507 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.624 -3.039 -4.644 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.249 -2.343 -3.162 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.686 -0.775 -4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.922 -1.418 -6.004 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.432 1.190 -5.846 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.843 1.553 -5.163 1.00 0.00 H new ATOM 756 N VAL A 50 11.804 -3.738 -2.110 1.00 0.00 N ATOM 757 CA VAL A 50 12.055 -4.424 -0.799 1.00 0.00 C ATOM 758 C VAL A 50 12.035 -3.381 0.310 1.00 0.00 C ATOM 759 O VAL A 50 12.797 -2.441 0.299 1.00 0.00 O ATOM 760 CB VAL A 50 13.430 -5.121 -0.829 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.467 -6.244 0.222 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.687 -5.686 -2.237 1.00 0.00 C ATOM 0 H VAL A 50 12.359 -2.898 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 50 11.283 -5.173 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 50 14.213 -4.400 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.440 -6.734 0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.299 -5.821 1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.688 -6.974 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.659 -6.179 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.909 -6.407 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.676 -4.873 -2.963 1.00 0.00 H new ATOM 772 N CYS A 51 11.174 -3.548 1.269 1.00 0.00 N ATOM 773 CA CYS A 51 11.097 -2.564 2.379 1.00 0.00 C ATOM 774 C CYS A 51 12.320 -2.727 3.279 1.00 0.00 C ATOM 775 O CYS A 51 12.874 -3.802 3.401 1.00 0.00 O ATOM 776 CB CYS A 51 9.827 -2.823 3.189 1.00 0.00 C ATOM 777 SG CYS A 51 8.376 -2.471 2.165 1.00 0.00 S ATOM 0 H CYS A 51 10.518 -4.326 1.333 1.00 0.00 H new ATOM 0 HA CYS A 51 11.074 -1.551 1.978 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.804 -3.859 3.528 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.817 -2.196 4.080 1.00 0.00 H new ATOM 782 N ALA A 52 12.756 -1.662 3.901 1.00 0.00 N ATOM 783 CA ALA A 52 13.959 -1.744 4.785 1.00 0.00 C ATOM 784 C ALA A 52 13.768 -0.835 6.001 1.00 0.00 C ATOM 785 O ALA A 52 13.324 0.292 5.886 1.00 0.00 O ATOM 786 CB ALA A 52 15.190 -1.285 4.002 1.00 0.00 C ATOM 0 H ALA A 52 12.331 -0.737 3.835 1.00 0.00 H new ATOM 0 HA ALA A 52 14.094 -2.773 5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.071 -1.343 4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.330 -1.929 3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.048 -0.256 3.672 1.00 0.00 H new ATOM 792 N ASP A 53 14.107 -1.321 7.165 1.00 0.00 N ATOM 793 CA ASP A 53 13.955 -0.496 8.398 1.00 0.00 C ATOM 794 C ASP A 53 14.975 0.670 8.366 1.00 0.00 C ATOM 795 O ASP A 53 16.161 0.410 8.368 1.00 0.00 O ATOM 796 CB ASP A 53 14.256 -1.374 9.616 1.00 0.00 C ATOM 797 CG ASP A 53 13.152 -2.419 9.781 1.00 0.00 C ATOM 798 OD1 ASP A 53 13.266 -3.472 9.178 1.00 0.00 O ATOM 799 OD2 ASP A 53 12.212 -2.147 10.510 1.00 0.00 O ATOM 0 H ASP A 53 14.484 -2.257 7.315 1.00 0.00 H new ATOM 0 HA ASP A 53 12.941 -0.100 8.453 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.221 -1.866 9.493 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.325 -0.758 10.513 1.00 0.00 H new ATOM 804 N PRO A 54 14.526 1.921 8.342 1.00 0.00 N ATOM 805 CA PRO A 54 15.473 3.057 8.317 1.00 0.00 C ATOM 806 C PRO A 54 16.354 3.033 9.575 1.00 0.00 C ATOM 807 O PRO A 54 17.269 3.819 9.720 1.00 0.00 O ATOM 808 CB PRO A 54 14.585 4.322 8.288 1.00 0.00 C ATOM 809 CG PRO A 54 13.101 3.857 8.280 1.00 0.00 C ATOM 810 CD PRO A 54 13.096 2.312 8.334 1.00 0.00 C ATOM 0 HA PRO A 54 16.145 3.021 7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.785 4.950 9.157 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.803 4.922 7.404 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.565 4.272 9.134 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.594 4.211 7.382 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.583 1.950 9.225 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.577 1.889 7.474 1.00 0.00 H new ATOM 818 N SER A 55 16.070 2.150 10.488 1.00 0.00 N ATOM 819 CA SER A 55 16.873 2.086 11.742 1.00 0.00 C ATOM 820 C SER A 55 18.221 1.416 11.469 1.00 0.00 C ATOM 821 O SER A 55 19.165 1.577 12.217 1.00 0.00 O ATOM 822 CB SER A 55 16.108 1.279 12.792 1.00 0.00 C ATOM 823 OG SER A 55 16.927 1.108 13.941 1.00 0.00 O ATOM 0 H SER A 55 15.315 1.467 10.422 1.00 0.00 H new ATOM 0 HA SER A 55 17.046 3.098 12.108 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.186 1.793 13.062 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.824 0.308 12.386 1.00 0.00 H new ATOM 0 HG SER A 55 16.439 0.592 14.617 1.00 0.00 H new ATOM 829 N GLU A 56 18.329 0.666 10.405 1.00 0.00 N ATOM 830 CA GLU A 56 19.626 -0.003 10.098 1.00 0.00 C ATOM 831 C GLU A 56 20.558 0.997 9.404 1.00 0.00 C ATOM 832 O GLU A 56 20.270 1.509 8.339 1.00 0.00 O ATOM 833 CB GLU A 56 19.378 -1.208 9.190 1.00 0.00 C ATOM 834 CG GLU A 56 18.879 -2.392 10.022 1.00 0.00 C ATOM 835 CD GLU A 56 18.382 -3.500 9.091 1.00 0.00 C ATOM 836 OE1 GLU A 56 18.372 -3.278 7.891 1.00 0.00 O ATOM 837 OE2 GLU A 56 18.020 -4.551 9.594 1.00 0.00 O ATOM 0 H GLU A 56 17.578 0.488 9.738 1.00 0.00 H new ATOM 0 HA GLU A 56 20.092 -0.347 11.022 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.643 -0.954 8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.297 -1.479 8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.682 -2.768 10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.075 -2.071 10.684 1.00 0.00 H new ATOM 844 N SER A 57 21.666 1.284 10.021 1.00 0.00 N ATOM 845 CA SER A 57 22.637 2.257 9.448 1.00 0.00 C ATOM 846 C SER A 57 22.960 1.935 7.985 1.00 0.00 C ATOM 847 O SER A 57 23.119 2.826 7.175 1.00 0.00 O ATOM 848 CB SER A 57 23.928 2.222 10.266 1.00 0.00 C ATOM 849 OG SER A 57 24.483 0.915 10.210 1.00 0.00 O ATOM 0 H SER A 57 21.946 0.879 10.914 1.00 0.00 H new ATOM 0 HA SER A 57 22.186 3.249 9.487 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.640 2.949 9.875 1.00 0.00 H new ATOM 0 HB3 SER A 57 23.725 2.499 11.300 1.00 0.00 H new ATOM 0 HG SER A 57 25.312 0.889 10.732 1.00 0.00 H new ATOM 855 N TRP A 58 23.084 0.683 7.633 1.00 0.00 N ATOM 856 CA TRP A 58 23.424 0.364 6.218 1.00 0.00 C ATOM 857 C TRP A 58 22.329 0.893 5.297 1.00 0.00 C ATOM 858 O TRP A 58 22.586 1.288 4.178 1.00 0.00 O ATOM 859 CB TRP A 58 23.634 -1.149 6.032 1.00 0.00 C ATOM 860 CG TRP A 58 22.335 -1.891 5.967 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.840 -2.667 6.959 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.380 -1.977 4.866 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.645 -3.224 6.541 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.312 -2.826 5.265 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.329 -1.407 3.572 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.233 -3.100 4.414 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.245 -1.681 2.712 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.198 -2.524 3.134 1.00 0.00 C ATOM 0 H TRP A 58 22.967 -0.119 8.252 1.00 0.00 H new ATOM 0 HA TRP A 58 24.362 0.854 5.957 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.199 -1.327 5.117 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.232 -1.536 6.857 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.303 -2.826 7.922 1.00 0.00 H new ATOM 0 HE1 TRP A 58 20.078 -3.854 7.109 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.126 -0.758 3.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.434 -3.749 4.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.218 -1.243 1.725 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.368 -2.727 2.473 1.00 0.00 H new ATOM 879 N VAL A 59 21.116 0.939 5.761 1.00 0.00 N ATOM 880 CA VAL A 59 20.027 1.472 4.903 1.00 0.00 C ATOM 881 C VAL A 59 20.297 2.946 4.641 1.00 0.00 C ATOM 882 O VAL A 59 20.221 3.414 3.524 1.00 0.00 O ATOM 883 CB VAL A 59 18.689 1.306 5.621 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.563 1.907 4.776 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.437 -0.185 5.837 1.00 0.00 C ATOM 0 H VAL A 59 20.832 0.633 6.691 1.00 0.00 H new ATOM 0 HA VAL A 59 19.989 0.931 3.958 1.00 0.00 H new ATOM 0 HB VAL A 59 18.716 1.823 6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.613 1.784 5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.755 2.968 4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.519 1.397 3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.485 -0.323 6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.407 -0.692 4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.239 -0.605 6.443 1.00 0.00 H new ATOM 895 N GLN A 60 20.634 3.679 5.660 1.00 0.00 N ATOM 896 CA GLN A 60 20.933 5.123 5.458 1.00 0.00 C ATOM 897 C GLN A 60 22.175 5.258 4.573 1.00 0.00 C ATOM 898 O GLN A 60 22.269 6.141 3.743 1.00 0.00 O ATOM 899 CB GLN A 60 21.189 5.790 6.810 1.00 0.00 C ATOM 900 CG GLN A 60 21.326 7.302 6.617 1.00 0.00 C ATOM 901 CD GLN A 60 21.384 7.988 7.983 1.00 0.00 C ATOM 902 OE1 GLN A 60 22.251 7.700 8.784 1.00 0.00 O ATOM 903 NE2 GLN A 60 20.491 8.891 8.285 1.00 0.00 N ATOM 0 H GLN A 60 20.716 3.345 6.620 1.00 0.00 H new ATOM 0 HA GLN A 60 20.085 5.609 4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.369 5.573 7.495 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.096 5.387 7.260 1.00 0.00 H new ATOM 0 HG2 GLN A 60 22.228 7.526 6.047 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.482 7.684 6.042 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.763 9.133 7.613 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.521 9.354 9.193 1.00 0.00 H new ATOM 912 N GLU A 61 23.132 4.386 4.748 1.00 0.00 N ATOM 913 CA GLU A 61 24.375 4.454 3.925 1.00 0.00 C ATOM 914 C GLU A 61 24.051 4.164 2.458 1.00 0.00 C ATOM 915 O GLU A 61 24.449 4.891 1.569 1.00 0.00 O ATOM 916 CB GLU A 61 25.380 3.420 4.438 1.00 0.00 C ATOM 917 CG GLU A 61 26.755 3.695 3.825 1.00 0.00 C ATOM 918 CD GLU A 61 27.365 4.936 4.478 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.360 5.004 5.697 1.00 0.00 O ATOM 920 OE2 GLU A 61 27.828 5.798 3.750 1.00 0.00 O ATOM 0 H GLU A 61 23.106 3.626 5.428 1.00 0.00 H new ATOM 0 HA GLU A 61 24.801 5.454 4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.440 3.464 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 61 25.049 2.415 4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 61 27.409 2.835 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 61 26.662 3.845 2.749 1.00 0.00 H new ATOM 927 N TYR A 62 23.337 3.105 2.195 1.00 0.00 N ATOM 928 CA TYR A 62 22.993 2.766 0.784 1.00 0.00 C ATOM 929 C TYR A 62 22.155 3.894 0.175 1.00 0.00 C ATOM 930 O TYR A 62 22.292 4.218 -0.988 1.00 0.00 O ATOM 931 CB TYR A 62 22.195 1.449 0.742 1.00 0.00 C ATOM 932 CG TYR A 62 23.130 0.253 0.799 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.112 0.153 1.807 1.00 0.00 C ATOM 934 CD2 TYR A 62 23.011 -0.773 -0.163 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.969 -0.965 1.850 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.868 -1.888 -0.119 1.00 0.00 C ATOM 937 CZ TYR A 62 24.846 -1.985 0.887 1.00 0.00 C ATOM 938 OH TYR A 62 25.685 -3.079 0.931 1.00 0.00 O ATOM 0 H TYR A 62 22.976 2.458 2.896 1.00 0.00 H new ATOM 0 HA TYR A 62 23.912 2.646 0.210 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.499 1.413 1.580 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.599 1.408 -0.170 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.207 0.934 2.547 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.260 -0.702 -0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.721 -1.039 2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.775 -2.670 -0.858 1.00 0.00 H new ATOM 0 HH TYR A 62 25.466 -3.689 0.196 1.00 0.00 H new ATOM 948 N VAL A 63 21.299 4.503 0.946 1.00 0.00 N ATOM 949 CA VAL A 63 20.476 5.610 0.398 1.00 0.00 C ATOM 950 C VAL A 63 21.408 6.758 0.040 1.00 0.00 C ATOM 951 O VAL A 63 21.260 7.405 -0.975 1.00 0.00 O ATOM 952 CB VAL A 63 19.464 6.067 1.454 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.787 7.364 0.998 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.404 4.980 1.643 1.00 0.00 C ATOM 0 H VAL A 63 21.136 4.282 1.928 1.00 0.00 H new ATOM 0 HA VAL A 63 19.931 5.280 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 63 19.982 6.244 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 63 18.069 7.684 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.541 8.140 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.269 7.192 0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.682 5.302 2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.890 4.804 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.883 4.058 1.972 1.00 0.00 H new ATOM 964 N TYR A 64 22.375 7.005 0.873 1.00 0.00 N ATOM 965 CA TYR A 64 23.331 8.102 0.596 1.00 0.00 C ATOM 966 C TYR A 64 24.097 7.786 -0.686 1.00 0.00 C ATOM 967 O TYR A 64 24.303 8.634 -1.530 1.00 0.00 O ATOM 968 CB TYR A 64 24.313 8.223 1.766 1.00 0.00 C ATOM 969 CG TYR A 64 24.985 9.578 1.733 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.260 10.731 2.091 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.335 9.688 1.345 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.884 11.993 2.060 1.00 0.00 C ATOM 973 CE2 TYR A 64 26.958 10.950 1.315 1.00 0.00 C ATOM 974 CZ TYR A 64 26.233 12.103 1.672 1.00 0.00 C ATOM 975 OH TYR A 64 26.845 13.339 1.642 1.00 0.00 O ATOM 0 H TYR A 64 22.544 6.491 1.738 1.00 0.00 H new ATOM 0 HA TYR A 64 22.793 9.042 0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.785 8.091 2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 64 25.062 7.434 1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.225 10.647 2.389 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.892 8.804 1.071 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.327 12.877 2.334 1.00 0.00 H new ATOM 0 HE2 TYR A 64 27.993 11.034 1.018 1.00 0.00 H new ATOM 0 HH TYR A 64 27.776 13.236 1.353 1.00 0.00 H new ATOM 985 N ASP A 65 24.517 6.563 -0.829 1.00 0.00 N ATOM 986 CA ASP A 65 25.275 6.165 -2.049 1.00 0.00 C ATOM 987 C ASP A 65 24.400 6.377 -3.286 1.00 0.00 C ATOM 988 O ASP A 65 24.878 6.738 -4.344 1.00 0.00 O ATOM 989 CB ASP A 65 25.660 4.687 -1.936 1.00 0.00 C ATOM 990 CG ASP A 65 26.877 4.536 -1.020 1.00 0.00 C ATOM 991 OD1 ASP A 65 27.858 5.222 -1.253 1.00 0.00 O ATOM 992 OD2 ASP A 65 26.807 3.736 -0.101 1.00 0.00 O ATOM 0 H ASP A 65 24.368 5.816 -0.151 1.00 0.00 H new ATOM 0 HA ASP A 65 26.175 6.773 -2.140 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.822 4.113 -1.540 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.885 4.284 -2.923 1.00 0.00 H new ATOM 997 N LEU A 66 23.124 6.158 -3.160 1.00 0.00 N ATOM 998 CA LEU A 66 22.209 6.345 -4.320 1.00 0.00 C ATOM 999 C LEU A 66 22.055 7.840 -4.612 1.00 0.00 C ATOM 1000 O LEU A 66 21.856 8.244 -5.741 1.00 0.00 O ATOM 1001 CB LEU A 66 20.846 5.729 -3.975 1.00 0.00 C ATOM 1002 CG LEU A 66 20.880 4.200 -4.192 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.782 3.532 -3.362 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.636 3.870 -5.674 1.00 0.00 C ATOM 0 H LEU A 66 22.671 5.855 -2.298 1.00 0.00 H new ATOM 0 HA LEU A 66 22.616 5.856 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.591 5.951 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 66 20.070 6.175 -4.597 1.00 0.00 H new ATOM 0 HG LEU A 66 21.859 3.831 -3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.812 2.454 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.942 3.749 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.809 3.917 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.662 2.790 -5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.661 4.252 -5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.412 4.334 -6.283 1.00 0.00 H new ATOM 1016 N GLU A 67 22.154 8.662 -3.608 1.00 0.00 N ATOM 1017 CA GLU A 67 22.023 10.130 -3.830 1.00 0.00 C ATOM 1018 C GLU A 67 23.286 10.647 -4.515 1.00 0.00 C ATOM 1019 O GLU A 67 23.264 11.626 -5.234 1.00 0.00 O ATOM 1020 CB GLU A 67 21.854 10.837 -2.486 1.00 0.00 C ATOM 1021 CG GLU A 67 20.475 10.516 -1.919 1.00 0.00 C ATOM 1022 CD GLU A 67 20.234 11.344 -0.656 1.00 0.00 C ATOM 1023 OE1 GLU A 67 21.088 12.152 -0.328 1.00 0.00 O ATOM 1024 OE2 GLU A 67 19.198 11.158 -0.037 1.00 0.00 O ATOM 0 H GLU A 67 22.320 8.382 -2.641 1.00 0.00 H new ATOM 0 HA GLU A 67 21.154 10.328 -4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.630 10.514 -1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.967 11.914 -2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.706 10.733 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.404 9.453 -1.688 1.00 0.00 H new ATOM 1031 N LEU A 68 24.389 9.990 -4.297 1.00 0.00 N ATOM 1032 CA LEU A 68 25.662 10.435 -4.934 1.00 0.00 C ATOM 1033 C LEU A 68 25.675 10.001 -6.401 1.00 0.00 C ATOM 1034 O LEU A 68 25.224 10.717 -7.273 1.00 0.00 O ATOM 1035 CB LEU A 68 26.849 9.803 -4.212 1.00 0.00 C ATOM 1036 CG LEU A 68 26.913 10.310 -2.768 1.00 0.00 C ATOM 1037 CD1 LEU A 68 28.043 9.581 -2.048 1.00 0.00 C ATOM 1038 CD2 LEU A 68 27.176 11.830 -2.738 1.00 0.00 C ATOM 0 H LEU A 68 24.466 9.163 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 68 25.735 11.521 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 68 26.755 8.717 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 68 27.775 10.047 -4.733 1.00 0.00 H new ATOM 0 HG LEU A 68 25.961 10.117 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 68 28.103 9.930 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 68 27.848 8.509 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 68 28.987 9.782 -2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.218 12.172 -1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 68 28.125 12.045 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.371 12.349 -3.259 1.00 0.00 H new ATOM 1050 N ASN A 69 26.192 8.834 -6.682 1.00 0.00 N ATOM 1051 CA ASN A 69 26.237 8.352 -8.094 1.00 0.00 C ATOM 1052 C ASN A 69 24.949 7.590 -8.414 1.00 0.00 C ATOM 1053 O ASN A 69 23.897 8.040 -7.992 1.00 0.00 O ATOM 1054 CB ASN A 69 27.437 7.419 -8.272 1.00 0.00 C ATOM 1055 CG ASN A 69 28.676 8.054 -7.637 1.00 0.00 C ATOM 1056 OD1 ASN A 69 29.032 7.731 -6.521 1.00 0.00 O ATOM 1057 ND2 ASN A 69 29.350 8.949 -8.305 1.00 0.00 N ATOM 1058 OXT ASN A 69 25.038 6.568 -9.074 1.00 0.00 O ATOM 0 H ASN A 69 26.586 8.193 -5.993 1.00 0.00 H new ATOM 0 HA ASN A 69 26.332 9.204 -8.768 1.00 0.00 H new ATOM 0 HB2 ASN A 69 27.232 6.454 -7.809 1.00 0.00 H new ATOM 0 HB3 ASN A 69 27.613 7.234 -9.332 1.00 0.00 H new ATOM 0 HD21 ASN A 69 30.177 9.379 -7.891 1.00 0.00 H new ATOM 0 HD22 ASN A 69 29.050 9.219 -9.242 1.00 0.00 H new TER 1065 ASN A 69 ATOM 1066 N ALA B 1 12.420 -21.383 -8.288 1.00 0.00 N ATOM 1067 CA ALA B 1 13.117 -20.190 -8.844 1.00 0.00 C ATOM 1068 C ALA B 1 13.176 -19.098 -7.755 1.00 0.00 C ATOM 1069 O ALA B 1 12.451 -19.173 -6.784 1.00 0.00 O ATOM 1070 CB ALA B 1 12.338 -19.689 -10.082 1.00 0.00 C ATOM 0 H1 ALA B 1 13.097 -22.166 -8.190 1.00 0.00 H new ATOM 0 H2 ALA B 1 12.023 -21.150 -7.355 1.00 0.00 H new ATOM 0 H3 ALA B 1 11.653 -21.667 -8.930 1.00 0.00 H new ATOM 0 HA ALA B 1 14.134 -20.441 -9.147 1.00 0.00 H new ATOM 0 HB1 ALA B 1 12.839 -18.815 -10.498 1.00 0.00 H new ATOM 0 HB2 ALA B 1 12.302 -20.478 -10.833 1.00 0.00 H new ATOM 0 HB3 ALA B 1 11.323 -19.420 -9.789 1.00 0.00 H new ATOM 1078 N PRO B 2 14.029 -18.110 -7.943 1.00 0.00 N ATOM 1079 CA PRO B 2 14.157 -17.012 -6.966 1.00 0.00 C ATOM 1080 C PRO B 2 12.788 -16.350 -6.744 1.00 0.00 C ATOM 1081 O PRO B 2 12.180 -15.837 -7.663 1.00 0.00 O ATOM 1082 CB PRO B 2 15.169 -16.028 -7.601 1.00 0.00 C ATOM 1083 CG PRO B 2 15.611 -16.629 -8.968 1.00 0.00 C ATOM 1084 CD PRO B 2 14.920 -18.002 -9.120 1.00 0.00 C ATOM 0 HA PRO B 2 14.498 -17.352 -5.988 1.00 0.00 H new ATOM 0 HB2 PRO B 2 14.714 -15.048 -7.742 1.00 0.00 H new ATOM 0 HB3 PRO B 2 16.030 -15.888 -6.947 1.00 0.00 H new ATOM 0 HG2 PRO B 2 15.330 -15.966 -9.786 1.00 0.00 H new ATOM 0 HG3 PRO B 2 16.695 -16.740 -9.005 1.00 0.00 H new ATOM 0 HD2 PRO B 2 14.355 -18.059 -10.050 1.00 0.00 H new ATOM 0 HD3 PRO B 2 15.649 -18.812 -9.140 1.00 0.00 H new ATOM 1092 N MET B 3 12.303 -16.360 -5.532 1.00 0.00 N ATOM 1093 CA MET B 3 10.980 -15.734 -5.253 1.00 0.00 C ATOM 1094 C MET B 3 11.147 -14.216 -5.143 1.00 0.00 C ATOM 1095 O MET B 3 12.219 -13.721 -4.851 1.00 0.00 O ATOM 1096 CB MET B 3 10.423 -16.287 -3.937 1.00 0.00 C ATOM 1097 CG MET B 3 10.647 -17.800 -3.882 1.00 0.00 C ATOM 1098 SD MET B 3 9.893 -18.469 -2.378 1.00 0.00 S ATOM 1099 CE MET B 3 11.066 -19.820 -2.112 1.00 0.00 C ATOM 0 H MET B 3 12.766 -16.775 -4.723 1.00 0.00 H new ATOM 0 HA MET B 3 10.289 -15.964 -6.064 1.00 0.00 H new ATOM 0 HB2 MET B 3 10.914 -15.805 -3.091 1.00 0.00 H new ATOM 0 HB3 MET B 3 9.359 -16.063 -3.858 1.00 0.00 H new ATOM 0 HG2 MET B 3 10.212 -18.275 -4.762 1.00 0.00 H new ATOM 0 HG3 MET B 3 11.714 -18.021 -3.896 1.00 0.00 H new ATOM 0 HE1 MET B 3 10.784 -20.375 -1.217 1.00 0.00 H new ATOM 0 HE2 MET B 3 11.053 -20.488 -2.973 1.00 0.00 H new ATOM 0 HE3 MET B 3 12.069 -19.412 -1.985 1.00 0.00 H new ATOM 1109 N GLY B 4 10.099 -13.473 -5.371 1.00 0.00 N ATOM 1110 CA GLY B 4 10.206 -11.989 -5.277 1.00 0.00 C ATOM 1111 C GLY B 4 10.836 -11.608 -3.944 1.00 0.00 C ATOM 1112 O GLY B 4 11.134 -12.449 -3.118 1.00 0.00 O ATOM 0 H GLY B 4 9.175 -13.828 -5.618 1.00 0.00 H new ATOM 0 HA2 GLY B 4 10.809 -11.605 -6.099 1.00 0.00 H new ATOM 0 HA3 GLY B 4 9.219 -11.536 -5.367 1.00 0.00 H new ATOM 1116 N SER B 5 11.054 -10.341 -3.734 1.00 0.00 N ATOM 1117 CA SER B 5 11.678 -9.884 -2.464 1.00 0.00 C ATOM 1118 C SER B 5 10.593 -9.589 -1.414 1.00 0.00 C ATOM 1119 O SER B 5 10.004 -10.492 -0.853 1.00 0.00 O ATOM 1120 CB SER B 5 12.481 -8.627 -2.747 1.00 0.00 C ATOM 1121 OG SER B 5 13.697 -8.983 -3.393 1.00 0.00 O ATOM 0 H SER B 5 10.825 -9.597 -4.393 1.00 0.00 H new ATOM 0 HA SER B 5 12.331 -10.664 -2.072 1.00 0.00 H new ATOM 0 HB2 SER B 5 11.906 -7.948 -3.377 1.00 0.00 H new ATOM 0 HB3 SER B 5 12.691 -8.098 -1.817 1.00 0.00 H new ATOM 0 HG SER B 5 14.218 -8.174 -3.579 1.00 0.00 H new ATOM 1127 N ASP B 6 10.328 -8.333 -1.137 1.00 0.00 N ATOM 1128 CA ASP B 6 9.288 -7.994 -0.115 1.00 0.00 C ATOM 1129 C ASP B 6 8.775 -6.564 -0.346 1.00 0.00 C ATOM 1130 O ASP B 6 9.113 -5.671 0.405 1.00 0.00 O ATOM 1131 CB ASP B 6 9.902 -8.080 1.289 1.00 0.00 C ATOM 1132 CG ASP B 6 10.444 -9.491 1.526 1.00 0.00 C ATOM 1133 OD1 ASP B 6 9.654 -10.421 1.490 1.00 0.00 O ATOM 1134 OD2 ASP B 6 11.638 -9.617 1.739 1.00 0.00 O ATOM 0 H ASP B 6 10.785 -7.532 -1.573 1.00 0.00 H new ATOM 0 HA ASP B 6 8.461 -8.698 -0.204 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.704 -7.349 1.392 1.00 0.00 H new ATOM 0 HB3 ASP B 6 9.151 -7.837 2.041 1.00 0.00 H new ATOM 1139 N PRO B 7 7.982 -6.375 -1.378 1.00 0.00 N ATOM 1140 CA PRO B 7 7.440 -5.040 -1.699 1.00 0.00 C ATOM 1141 C PRO B 7 6.477 -4.573 -0.580 1.00 0.00 C ATOM 1142 O PRO B 7 6.080 -5.367 0.250 1.00 0.00 O ATOM 1143 CB PRO B 7 6.697 -5.228 -3.045 1.00 0.00 C ATOM 1144 CG PRO B 7 6.801 -6.735 -3.431 1.00 0.00 C ATOM 1145 CD PRO B 7 7.571 -7.454 -2.301 1.00 0.00 C ATOM 0 HA PRO B 7 8.214 -4.277 -1.774 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.653 -4.927 -2.952 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.142 -4.602 -3.819 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.808 -7.168 -3.554 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.320 -6.852 -4.382 1.00 0.00 H new ATOM 0 HD2 PRO B 7 6.941 -8.187 -1.797 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.435 -7.991 -2.691 1.00 0.00 H new ATOM 1153 N PRO B 8 6.124 -3.300 -0.595 1.00 0.00 N ATOM 1154 CA PRO B 8 5.203 -2.733 0.416 1.00 0.00 C ATOM 1155 C PRO B 8 3.832 -3.426 0.332 1.00 0.00 C ATOM 1156 O PRO B 8 3.711 -4.529 -0.164 1.00 0.00 O ATOM 1157 CB PRO B 8 5.094 -1.231 0.052 1.00 0.00 C ATOM 1158 CG PRO B 8 5.842 -1.026 -1.296 1.00 0.00 C ATOM 1159 CD PRO B 8 6.606 -2.330 -1.602 1.00 0.00 C ATOM 0 HA PRO B 8 5.559 -2.876 1.436 1.00 0.00 H new ATOM 0 HB2 PRO B 8 4.050 -0.933 -0.039 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.535 -0.613 0.834 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.137 -0.798 -2.095 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.531 -0.184 -1.228 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.403 -2.678 -2.615 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.683 -2.184 -1.525 1.00 0.00 H new ATOM 1167 N THR B 9 2.800 -2.781 0.816 1.00 0.00 N ATOM 1168 CA THR B 9 1.440 -3.393 0.768 1.00 0.00 C ATOM 1169 C THR B 9 0.379 -2.293 0.800 1.00 0.00 C ATOM 1170 O THR B 9 0.392 -1.424 1.649 1.00 0.00 O ATOM 1171 CB THR B 9 1.255 -4.309 1.980 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.425 -5.095 2.157 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.048 -5.226 1.758 1.00 0.00 C ATOM 0 H THR B 9 2.842 -1.856 1.243 1.00 0.00 H new ATOM 0 HA THR B 9 1.335 -3.970 -0.151 1.00 0.00 H new ATOM 0 HB THR B 9 1.083 -3.703 2.870 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.444 -5.453 3.069 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.079 -5.876 2.624 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.849 -4.621 1.624 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.212 -5.834 0.869 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.543 -2.332 -0.119 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.613 -1.300 -0.151 1.00 0.00 C ATOM 1183 C ALA B 10 -2.547 -1.491 1.045 1.00 0.00 C ATOM 1184 O ALA B 10 -3.593 -2.100 0.933 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.411 -1.448 -1.445 1.00 0.00 C ATOM 0 H ALA B 10 -0.601 -3.038 -0.853 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.165 -0.308 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.198 -0.694 -1.475 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.747 -1.314 -2.299 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.858 -2.441 -1.485 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.179 -0.967 2.187 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.039 -1.099 3.405 1.00 0.00 C ATOM 1193 C CYS B 11 -3.653 0.267 3.719 1.00 0.00 C ATOM 1194 O CYS B 11 -3.002 1.287 3.617 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.181 -1.560 4.587 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.363 -3.122 4.169 1.00 0.00 S ATOM 0 H CYS B 11 -1.312 -0.449 2.330 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.828 -1.830 3.229 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.437 -0.801 4.828 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.803 -1.689 5.473 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.903 0.298 4.087 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.555 1.602 4.392 1.00 0.00 C ATOM 1203 C CYS B 12 -5.010 2.157 5.709 1.00 0.00 C ATOM 1204 O CYS B 12 -4.793 1.432 6.659 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.070 1.403 4.509 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.731 0.869 2.911 1.00 0.00 S ATOM 0 H CYS B 12 -5.501 -0.522 4.190 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.342 2.307 3.588 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.292 0.659 5.274 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.547 2.332 4.820 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.797 3.447 5.772 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.276 4.076 7.024 1.00 0.00 C ATOM 1213 C PHE B 13 -5.444 4.744 7.751 1.00 0.00 C ATOM 1214 O PHE B 13 -5.384 5.026 8.931 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.230 5.133 6.662 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.899 6.264 5.917 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.170 6.137 4.542 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.259 7.439 6.603 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.800 7.188 3.851 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.891 8.490 5.913 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.162 8.366 4.536 1.00 0.00 C ATOM 0 H PHE B 13 -4.963 4.097 5.003 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.818 3.321 7.663 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.751 5.511 7.565 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.447 4.690 6.047 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.895 5.234 4.018 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.050 7.534 7.658 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.006 7.092 2.795 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.168 9.392 6.439 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.647 9.172 4.006 1.00 0.00 H new ATOM 1231 N SER B 14 -6.508 4.994 7.038 1.00 0.00 N ATOM 1232 CA SER B 14 -7.699 5.640 7.650 1.00 0.00 C ATOM 1233 C SER B 14 -8.931 5.268 6.826 1.00 0.00 C ATOM 1234 O SER B 14 -8.950 4.259 6.151 1.00 0.00 O ATOM 1235 CB SER B 14 -7.518 7.159 7.645 1.00 0.00 C ATOM 1236 OG SER B 14 -7.410 7.615 6.303 1.00 0.00 O ATOM 0 H SER B 14 -6.602 4.775 6.046 1.00 0.00 H new ATOM 0 HA SER B 14 -7.821 5.300 8.679 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.364 7.639 8.137 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.625 7.432 8.207 1.00 0.00 H new ATOM 0 HG SER B 14 -6.484 7.516 5.997 1.00 0.00 H new ATOM 1242 N TYR B 15 -9.963 6.066 6.870 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.189 5.740 6.081 1.00 0.00 C ATOM 1244 C TYR B 15 -11.955 7.025 5.774 1.00 0.00 C ATOM 1245 O TYR B 15 -11.798 8.028 6.444 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.085 4.792 6.891 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.230 3.779 7.616 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -10.882 2.570 6.985 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -10.781 4.046 8.923 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.084 1.629 7.662 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -9.983 3.105 9.599 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.633 1.895 8.969 1.00 0.00 C ATOM 1253 OH TYR B 15 -8.851 0.971 9.631 1.00 0.00 O ATOM 0 H TYR B 15 -10.012 6.927 7.415 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.900 5.257 5.148 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.679 5.360 7.607 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.786 4.283 6.229 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.227 2.365 5.982 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.049 4.973 9.407 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -9.817 0.701 7.178 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -9.639 3.311 10.602 1.00 0.00 H new ATOM 0 HH TYR B 15 -8.626 1.312 10.522 1.00 0.00 H new ATOM 1263 N THR B 16 -12.791 7.003 4.774 1.00 0.00 N ATOM 1264 CA THR B 16 -13.569 8.228 4.443 1.00 0.00 C ATOM 1265 C THR B 16 -14.420 8.612 5.657 1.00 0.00 C ATOM 1266 O THR B 16 -14.191 8.140 6.753 1.00 0.00 O ATOM 1267 CB THR B 16 -14.460 7.965 3.219 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.335 9.066 3.019 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.280 6.693 3.430 1.00 0.00 C ATOM 0 H THR B 16 -12.968 6.196 4.176 1.00 0.00 H new ATOM 0 HA THR B 16 -12.893 9.048 4.202 1.00 0.00 H new ATOM 0 HB THR B 16 -13.826 7.839 2.341 1.00 0.00 H new ATOM 0 HG1 THR B 16 -14.811 9.890 2.934 1.00 0.00 H new ATOM 0 HG21 THR B 16 -15.908 6.516 2.557 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.608 5.846 3.572 1.00 0.00 H new ATOM 0 HG23 THR B 16 -15.910 6.808 4.312 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.394 9.462 5.480 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.253 9.874 6.630 1.00 0.00 C ATOM 1279 C ALA B 17 -17.687 10.052 6.141 1.00 0.00 C ATOM 1280 O ALA B 17 -18.516 10.637 6.810 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.742 11.201 7.195 1.00 0.00 C ATOM 0 H ALA B 17 -15.634 9.891 4.586 1.00 0.00 H new ATOM 0 HA ALA B 17 -16.220 9.111 7.408 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.368 11.504 8.035 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.713 11.080 7.534 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.781 11.966 6.419 1.00 0.00 H new ATOM 1287 N ARG B 18 -17.984 9.551 4.971 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.365 9.684 4.417 1.00 0.00 C ATOM 1289 C ARG B 18 -19.744 8.386 3.700 1.00 0.00 C ATOM 1290 O ARG B 18 -19.022 7.901 2.852 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.401 10.842 3.408 1.00 0.00 C ATOM 1292 CG ARG B 18 -19.377 12.199 4.140 1.00 0.00 C ATOM 1293 CD ARG B 18 -20.781 12.581 4.641 1.00 0.00 C ATOM 1294 NE ARG B 18 -21.806 12.379 3.562 1.00 0.00 N ATOM 1295 CZ ARG B 18 -21.686 12.936 2.385 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -20.777 13.848 2.169 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -22.523 12.621 1.433 1.00 0.00 N ATOM 0 H ARG B 18 -17.326 9.053 4.372 1.00 0.00 H new ATOM 0 HA ARG B 18 -20.067 9.881 5.227 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.547 10.771 2.734 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.299 10.769 2.794 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -18.687 12.149 4.983 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -19.004 12.972 3.468 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -21.038 11.977 5.511 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -20.786 13.622 4.963 1.00 0.00 H new ATOM 0 HE ARG B 18 -22.618 11.791 3.752 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -20.151 14.133 2.922 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -20.693 14.276 1.247 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -23.265 11.944 1.610 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -22.435 13.052 0.513 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.876 7.826 4.025 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.303 6.569 3.351 1.00 0.00 C ATOM 1313 C LYS B 19 -21.489 6.866 1.860 1.00 0.00 C ATOM 1314 O LYS B 19 -22.205 7.774 1.483 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.623 6.086 3.982 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.205 4.881 3.216 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.668 4.660 3.623 1.00 0.00 C ATOM 1318 CE LYS B 19 -24.803 4.645 5.151 1.00 0.00 C ATOM 1319 NZ LYS B 19 -24.838 6.045 5.661 1.00 0.00 N ATOM 0 H LYS B 19 -21.523 8.184 4.727 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.555 5.785 3.471 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.451 5.809 5.022 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.346 6.901 3.985 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.140 5.056 2.142 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.620 3.986 3.429 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -25.292 5.450 3.204 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -25.028 3.717 3.211 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -25.712 4.118 5.441 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -23.966 4.106 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -23.908 6.294 6.055 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -25.069 6.693 4.881 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.561 6.126 6.404 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.849 6.112 1.010 1.00 0.00 N ATOM 1334 CA LEU B 20 -20.990 6.355 -0.451 1.00 0.00 C ATOM 1335 C LEU B 20 -22.392 5.895 -0.911 1.00 0.00 C ATOM 1336 O LEU B 20 -22.731 4.748 -0.696 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.943 5.529 -1.207 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.575 5.663 -0.538 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.526 4.979 -1.416 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.212 7.142 -0.378 1.00 0.00 C ATOM 0 H LEU B 20 -20.235 5.339 1.265 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.853 7.417 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.243 4.481 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.883 5.865 -2.242 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.605 5.195 0.446 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.546 5.068 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.779 3.925 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.505 5.456 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.236 7.227 0.100 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.179 7.617 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -18.962 7.636 0.239 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.178 6.755 -1.541 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.512 6.339 -2.011 1.00 0.00 C ATOM 1354 C PRO B 21 -24.377 5.109 -2.912 1.00 0.00 C ATOM 1355 O PRO B 21 -23.432 4.986 -3.662 1.00 0.00 O ATOM 1356 CB PRO B 21 -25.053 7.547 -2.807 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.067 8.728 -2.580 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.836 8.168 -1.835 1.00 0.00 C ATOM 0 HA PRO B 21 -25.181 6.068 -1.194 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.127 7.307 -3.868 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -26.055 7.812 -2.469 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -23.771 9.169 -3.532 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.542 9.517 -1.997 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -21.938 8.238 -2.448 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.641 8.726 -0.919 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.319 4.210 -2.862 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.235 3.015 -3.743 1.00 0.00 C ATOM 1368 C ARG B 22 -24.973 3.483 -5.176 1.00 0.00 C ATOM 1369 O ARG B 22 -24.280 2.839 -5.938 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.548 2.239 -3.688 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.428 0.986 -4.567 1.00 0.00 C ATOM 1372 CD ARG B 22 -27.670 0.090 -4.402 1.00 0.00 C ATOM 1373 NE ARG B 22 -27.261 -1.350 -4.450 1.00 0.00 N ATOM 1374 CZ ARG B 22 -26.468 -1.799 -5.389 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -26.153 -1.047 -6.407 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -26.033 -3.028 -5.334 1.00 0.00 N ATOM 0 H ARG B 22 -26.137 4.251 -2.254 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.427 2.364 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.775 1.957 -2.660 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.370 2.865 -4.036 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -26.318 1.277 -5.612 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -25.532 0.429 -4.295 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -28.164 0.307 -3.455 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -28.390 0.300 -5.193 1.00 0.00 H new ATOM 0 HE ARG B 22 -27.607 -1.993 -3.737 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -26.526 -0.100 -6.476 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -25.534 -1.406 -7.134 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -26.311 -3.633 -4.562 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -25.415 -3.383 -6.063 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.523 4.612 -5.539 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.309 5.141 -6.916 1.00 0.00 C ATOM 1392 C ASN B 23 -23.885 5.691 -7.043 1.00 0.00 C ATOM 1393 O ASN B 23 -23.585 6.447 -7.946 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.320 6.256 -7.198 1.00 0.00 C ATOM 1395 CG ASN B 23 -26.026 7.457 -6.298 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -24.955 8.028 -6.359 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -26.938 7.868 -5.460 1.00 0.00 N ATOM 0 H ASN B 23 -26.112 5.190 -4.940 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.447 4.336 -7.638 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -26.266 6.552 -8.246 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -27.333 5.895 -7.020 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -26.752 8.669 -4.856 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -27.837 7.389 -5.409 1.00 0.00 H new ATOM 1404 N PHE B 24 -23.007 5.327 -6.142 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.599 5.837 -6.205 1.00 0.00 C ATOM 1406 C PHE B 24 -20.645 4.689 -5.860 1.00 0.00 C ATOM 1407 O PHE B 24 -19.558 4.897 -5.358 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.432 6.978 -5.184 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.270 7.868 -5.569 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.302 8.573 -6.788 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.163 8.006 -4.706 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.233 9.410 -7.146 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -18.090 8.845 -5.067 1.00 0.00 C ATOM 1414 CZ PHE B 24 -18.125 9.547 -6.287 1.00 0.00 C ATOM 0 H PHE B 24 -23.203 4.698 -5.364 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.375 6.212 -7.204 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.348 7.567 -5.135 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.266 6.563 -4.190 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -21.150 8.470 -7.448 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.138 7.469 -3.769 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.260 9.949 -8.081 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.241 8.950 -4.408 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.303 10.190 -6.564 1.00 0.00 H new ATOM 1424 N VAL B 25 -21.049 3.478 -6.133 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.185 2.300 -5.831 1.00 0.00 C ATOM 1426 C VAL B 25 -20.473 1.208 -6.861 1.00 0.00 C ATOM 1427 O VAL B 25 -21.331 0.369 -6.667 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.504 1.775 -4.428 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.544 0.639 -4.074 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.346 2.904 -3.409 1.00 0.00 C ATOM 0 H VAL B 25 -21.949 3.252 -6.556 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.135 2.588 -5.874 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.529 1.406 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.773 0.267 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.655 -0.170 -4.797 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.519 1.008 -4.097 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.573 2.528 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.321 3.274 -3.432 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -21.031 3.715 -3.656 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.770 1.217 -7.960 1.00 0.00 N ATOM 1441 CA VAL B 26 -20.007 0.191 -9.009 1.00 0.00 C ATOM 1442 C VAL B 26 -19.234 -1.079 -8.669 1.00 0.00 C ATOM 1443 O VAL B 26 -19.440 -2.119 -9.263 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.531 0.733 -10.355 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.478 1.839 -10.821 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.119 1.304 -10.204 1.00 0.00 C ATOM 0 H VAL B 26 -19.039 1.895 -8.176 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.071 -0.040 -9.060 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.522 -0.073 -11.089 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -20.140 2.227 -11.782 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.485 1.435 -10.927 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.486 2.645 -10.087 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -17.778 1.691 -11.164 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -18.129 2.110 -9.471 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.442 0.518 -9.869 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.345 -1.008 -7.720 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.566 -2.220 -7.354 1.00 0.00 C ATOM 1458 C ASP B 27 -16.779 -1.948 -6.079 1.00 0.00 C ATOM 1459 O ASP B 27 -16.929 -0.918 -5.452 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.596 -2.562 -8.488 1.00 0.00 C ATOM 1461 CG ASP B 27 -16.047 -3.975 -8.286 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.838 -4.905 -8.293 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -14.845 -4.105 -8.126 1.00 0.00 O ATOM 0 H ASP B 27 -18.125 -0.168 -7.185 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.246 -3.056 -7.192 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.106 -2.493 -9.449 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.777 -1.843 -8.509 1.00 0.00 H new ATOM 1468 N TYR B 28 -15.933 -2.860 -5.689 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.132 -2.646 -4.456 1.00 0.00 C ATOM 1470 C TYR B 28 -13.859 -3.484 -4.516 1.00 0.00 C ATOM 1471 O TYR B 28 -13.555 -4.114 -5.508 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.952 -3.023 -3.215 1.00 0.00 C ATOM 1473 CG TYR B 28 -16.080 -4.529 -3.091 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.754 -5.267 -4.083 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.536 -5.191 -1.972 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.882 -6.662 -3.960 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.663 -6.585 -1.845 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.337 -7.323 -2.839 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.464 -8.692 -2.716 1.00 0.00 O ATOM 0 H TYR B 28 -15.763 -3.743 -6.171 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.864 -1.592 -4.388 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.475 -2.619 -2.322 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.943 -2.573 -3.278 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.173 -4.761 -4.940 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -15.020 -4.626 -1.210 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.397 -7.227 -4.723 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.245 -7.090 -0.987 1.00 0.00 H new ATOM 0 HH TYR B 28 -16.032 -8.987 -1.887 1.00 0.00 H new ATOM 1489 N TYR B 29 -13.111 -3.470 -3.459 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.842 -4.235 -3.425 1.00 0.00 C ATOM 1491 C TYR B 29 -11.410 -4.384 -1.961 1.00 0.00 C ATOM 1492 O TYR B 29 -11.599 -3.491 -1.167 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.799 -3.451 -4.237 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.399 -3.904 -3.895 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.944 -5.161 -4.331 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.554 -3.067 -3.145 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.638 -5.582 -4.016 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.248 -3.486 -2.829 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.790 -4.745 -3.264 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.510 -5.156 -2.954 1.00 0.00 O ATOM 0 H TYR B 29 -13.326 -2.955 -2.605 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.953 -5.230 -3.857 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -10.981 -3.591 -5.302 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.900 -2.385 -4.034 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.595 -5.802 -4.906 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.907 -2.102 -2.811 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.286 -6.547 -4.351 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.598 -2.843 -2.254 1.00 0.00 H new ATOM 0 HH TYR B 29 -5.060 -4.459 -2.432 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.837 -5.501 -1.593 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.400 -5.690 -0.171 1.00 0.00 C ATOM 1512 C GLU B 30 -8.891 -5.447 -0.068 1.00 0.00 C ATOM 1513 O GLU B 30 -8.161 -5.580 -1.030 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.721 -7.119 0.273 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.216 -7.240 0.576 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.519 -8.651 1.084 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -12.186 -9.595 0.386 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.080 -8.764 2.161 1.00 0.00 O ATOM 0 H GLU B 30 -10.652 -6.290 -2.212 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.926 -4.984 0.472 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.440 -7.825 -0.509 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.139 -7.375 1.158 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.508 -6.502 1.323 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.798 -7.032 -0.322 1.00 0.00 H new ATOM 1525 N THR B 31 -8.422 -5.079 1.094 1.00 0.00 N ATOM 1526 CA THR B 31 -6.962 -4.810 1.271 1.00 0.00 C ATOM 1527 C THR B 31 -6.173 -6.119 1.288 1.00 0.00 C ATOM 1528 O THR B 31 -6.674 -7.170 0.941 1.00 0.00 O ATOM 1529 CB THR B 31 -6.750 -4.079 2.599 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.504 -4.729 3.603 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.210 -2.627 2.456 1.00 0.00 C ATOM 0 H THR B 31 -8.988 -4.952 1.933 1.00 0.00 H new ATOM 0 HA THR B 31 -6.610 -4.199 0.440 1.00 0.00 H new ATOM 0 HB THR B 31 -5.695 -4.092 2.871 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.609 -5.676 3.372 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.060 -2.103 3.400 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.630 -2.137 1.674 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.267 -2.605 2.192 1.00 0.00 H new ATOM 1539 N SER B 32 -4.932 -6.052 1.692 1.00 0.00 N ATOM 1540 CA SER B 32 -4.082 -7.274 1.742 1.00 0.00 C ATOM 1541 C SER B 32 -4.298 -7.996 3.070 1.00 0.00 C ATOM 1542 O SER B 32 -5.388 -8.033 3.605 1.00 0.00 O ATOM 1543 CB SER B 32 -2.613 -6.871 1.625 1.00 0.00 C ATOM 1544 OG SER B 32 -1.817 -8.039 1.472 1.00 0.00 O ATOM 0 H SER B 32 -4.468 -5.194 1.992 1.00 0.00 H new ATOM 0 HA SER B 32 -4.352 -7.936 0.919 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.473 -6.207 0.772 1.00 0.00 H new ATOM 0 HB3 SER B 32 -2.303 -6.319 2.513 1.00 0.00 H new ATOM 0 HG SER B 32 -0.901 -7.782 1.236 1.00 0.00 H new ATOM 1550 N SER B 33 -3.257 -8.572 3.602 1.00 0.00 N ATOM 1551 CA SER B 33 -3.364 -9.305 4.899 1.00 0.00 C ATOM 1552 C SER B 33 -2.103 -9.048 5.715 1.00 0.00 C ATOM 1553 O SER B 33 -2.140 -8.938 6.924 1.00 0.00 O ATOM 1554 CB SER B 33 -3.474 -10.800 4.617 1.00 0.00 C ATOM 1555 OG SER B 33 -2.176 -11.327 4.375 1.00 0.00 O ATOM 0 H SER B 33 -2.324 -8.567 3.190 1.00 0.00 H new ATOM 0 HA SER B 33 -4.242 -8.965 5.448 1.00 0.00 H new ATOM 0 HB2 SER B 33 -3.934 -11.309 5.464 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.117 -10.973 3.754 1.00 0.00 H new ATOM 0 HG SER B 33 -2.241 -12.288 4.195 1.00 0.00 H new ATOM 1561 N LEU B 34 -0.985 -8.964 5.045 1.00 0.00 N ATOM 1562 CA LEU B 34 0.316 -8.720 5.737 1.00 0.00 C ATOM 1563 C LEU B 34 0.136 -7.710 6.871 1.00 0.00 C ATOM 1564 O LEU B 34 0.443 -7.980 8.015 1.00 0.00 O ATOM 1565 CB LEU B 34 1.328 -8.164 4.734 1.00 0.00 C ATOM 1566 CG LEU B 34 1.238 -8.927 3.414 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.386 -8.491 2.500 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.337 -10.433 3.679 1.00 0.00 C ATOM 0 H LEU B 34 -0.916 -9.055 4.031 1.00 0.00 H new ATOM 0 HA LEU B 34 0.674 -9.663 6.151 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.137 -7.104 4.563 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.336 -8.245 5.141 1.00 0.00 H new ATOM 0 HG LEU B 34 0.284 -8.710 2.933 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.326 -9.033 1.556 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.312 -7.420 2.309 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.339 -8.708 2.983 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.272 -10.974 2.735 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.289 -10.656 4.160 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.520 -10.742 4.331 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.358 -6.548 6.558 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.555 -5.521 7.616 1.00 0.00 C ATOM 1582 C CYS B 35 -1.688 -5.971 8.545 1.00 0.00 C ATOM 1583 O CYS B 35 -2.752 -6.347 8.106 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.899 -4.173 6.970 1.00 0.00 C ATOM 1585 SG CYS B 35 -2.016 -4.428 5.569 1.00 0.00 S ATOM 0 H CYS B 35 -0.634 -6.264 5.618 1.00 0.00 H new ATOM 0 HA CYS B 35 0.361 -5.405 8.196 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.367 -3.517 7.704 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.012 -3.678 6.634 1.00 0.00 H new ATOM 1590 N SER B 36 -1.449 -5.963 9.826 1.00 0.00 N ATOM 1591 CA SER B 36 -2.492 -6.406 10.797 1.00 0.00 C ATOM 1592 C SER B 36 -3.697 -5.452 10.803 1.00 0.00 C ATOM 1593 O SER B 36 -4.327 -5.267 11.826 1.00 0.00 O ATOM 1594 CB SER B 36 -1.884 -6.453 12.199 1.00 0.00 C ATOM 1595 OG SER B 36 -2.917 -6.647 13.154 1.00 0.00 O ATOM 0 H SER B 36 -0.569 -5.666 10.247 1.00 0.00 H new ATOM 0 HA SER B 36 -2.840 -7.394 10.496 1.00 0.00 H new ATOM 0 HB2 SER B 36 -1.156 -7.262 12.265 1.00 0.00 H new ATOM 0 HB3 SER B 36 -1.350 -5.526 12.407 1.00 0.00 H new ATOM 0 HG SER B 36 -3.560 -5.910 13.095 1.00 0.00 H new ATOM 1601 N GLN B 37 -4.039 -4.836 9.697 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.214 -3.907 9.715 1.00 0.00 C ATOM 1603 C GLN B 37 -5.835 -3.775 8.315 1.00 0.00 C ATOM 1604 O GLN B 37 -5.806 -2.708 7.741 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.754 -2.527 10.194 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.459 -2.136 9.475 1.00 0.00 C ATOM 1607 CD GLN B 37 -3.029 -0.739 9.923 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -1.999 -0.246 9.508 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -3.778 -0.074 10.759 1.00 0.00 N ATOM 0 H GLN B 37 -3.566 -4.933 8.798 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.967 -4.313 10.390 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.529 -1.786 9.997 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.593 -2.541 11.272 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.674 -2.859 9.698 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.610 -2.153 8.396 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -4.643 -0.487 11.108 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -3.499 0.859 11.063 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.403 -4.851 7.809 1.00 0.00 N ATOM 1619 CA PRO B 38 -7.055 -4.830 6.483 1.00 0.00 C ATOM 1620 C PRO B 38 -8.322 -3.963 6.556 1.00 0.00 C ATOM 1621 O PRO B 38 -8.684 -3.456 7.600 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.406 -6.310 6.195 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.108 -7.121 7.490 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.436 -6.160 8.497 1.00 0.00 C ATOM 0 HA PRO B 38 -6.425 -4.410 5.699 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.455 -6.408 5.914 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.816 -6.689 5.361 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.029 -7.530 7.906 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.454 -7.965 7.271 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -7.002 -6.103 9.427 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.432 -6.497 8.755 1.00 0.00 H new ATOM 1632 N ALA B 39 -8.992 -3.801 5.455 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.232 -2.988 5.429 1.00 0.00 C ATOM 1634 C ALA B 39 -10.918 -3.213 4.085 1.00 0.00 C ATOM 1635 O ALA B 39 -10.342 -3.789 3.184 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.878 -1.505 5.585 1.00 0.00 C ATOM 0 H ALA B 39 -8.728 -4.205 4.557 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.893 -3.279 6.245 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.791 -0.909 5.566 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.364 -1.351 6.534 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.227 -1.198 4.766 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.127 -2.745 3.923 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.818 -2.920 2.611 1.00 0.00 C ATOM 1644 C VAL B 40 -12.618 -1.636 1.815 1.00 0.00 C ATOM 1645 O VAL B 40 -12.579 -0.553 2.369 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.314 -3.181 2.834 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -15.078 -2.971 1.521 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.505 -4.626 3.293 1.00 0.00 C ATOM 0 H VAL B 40 -12.664 -2.252 4.637 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.407 -3.772 2.070 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.693 -2.493 3.590 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.140 -3.157 1.684 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.938 -1.946 1.179 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.700 -3.660 0.766 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.566 -4.820 3.454 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -14.124 -5.304 2.529 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.962 -4.787 4.224 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.462 -1.753 0.526 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.227 -0.551 -0.333 1.00 0.00 C ATOM 1660 C VAL B 41 -13.335 -0.439 -1.385 1.00 0.00 C ATOM 1661 O VAL B 41 -13.512 -1.309 -2.206 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.863 -0.709 -1.014 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.352 0.645 -1.494 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.866 -1.288 -0.007 1.00 0.00 C ATOM 0 H VAL B 41 -12.487 -2.639 0.022 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.237 0.355 0.272 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.968 -1.375 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.382 0.518 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.059 1.069 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.249 1.318 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.893 -1.404 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.775 -0.613 0.844 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.219 -2.260 0.337 1.00 0.00 H new ATOM 1674 N PHE B 42 -14.094 0.628 -1.366 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.197 0.779 -2.365 1.00 0.00 C ATOM 1676 C PHE B 42 -14.696 1.517 -3.609 1.00 0.00 C ATOM 1677 O PHE B 42 -13.984 2.498 -3.524 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.345 1.583 -1.743 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.108 0.719 -0.763 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.813 -0.413 -1.221 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.123 1.048 0.607 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.528 -1.214 -0.311 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.839 0.247 1.515 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.542 -0.883 1.057 1.00 0.00 C ATOM 0 H PHE B 42 -13.999 1.399 -0.705 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.544 -0.214 -2.651 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -15.951 2.463 -1.235 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -17.015 1.940 -2.525 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.804 -0.666 -2.271 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.585 1.915 0.960 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -19.066 -2.082 -0.662 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.849 0.499 2.565 1.00 0.00 H new ATOM 0 HZ PHE B 42 -19.092 -1.496 1.755 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.096 1.060 -4.768 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.692 1.726 -6.042 1.00 0.00 C ATOM 1696 C GLN B 43 -15.876 2.582 -6.507 1.00 0.00 C ATOM 1697 O GLN B 43 -16.973 2.077 -6.685 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.368 0.650 -7.081 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.143 -0.147 -6.624 1.00 0.00 C ATOM 1700 CD GLN B 43 -13.037 -1.435 -7.445 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -12.607 -2.454 -6.944 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -13.414 -1.430 -8.694 1.00 0.00 N ATOM 0 H GLN B 43 -15.694 0.242 -4.887 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.811 2.353 -5.905 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.221 -0.016 -7.209 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.175 1.111 -8.050 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.240 0.451 -6.747 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.225 -0.385 -5.563 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -13.775 -0.574 -9.114 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -13.348 -2.282 -9.250 1.00 0.00 H new ATOM 1711 N THR B 44 -15.691 3.879 -6.662 1.00 0.00 N ATOM 1712 CA THR B 44 -16.852 4.753 -7.060 1.00 0.00 C ATOM 1713 C THR B 44 -16.881 5.018 -8.565 1.00 0.00 C ATOM 1714 O THR B 44 -16.294 4.307 -9.356 1.00 0.00 O ATOM 1715 CB THR B 44 -16.751 6.094 -6.334 1.00 0.00 C ATOM 1716 OG1 THR B 44 -15.839 6.933 -7.027 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.248 5.872 -4.906 1.00 0.00 C ATOM 0 H THR B 44 -14.803 4.363 -6.533 1.00 0.00 H new ATOM 0 HA THR B 44 -17.766 4.227 -6.786 1.00 0.00 H new ATOM 0 HB THR B 44 -17.734 6.563 -6.301 1.00 0.00 H new ATOM 0 HG1 THR B 44 -15.923 7.851 -6.696 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.177 6.831 -4.392 1.00 0.00 H new ATOM 0 HG22 THR B 44 -16.943 5.224 -4.372 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.265 5.403 -4.935 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.594 6.052 -8.955 1.00 0.00 N ATOM 1726 CA LYS B 45 -17.722 6.412 -10.399 1.00 0.00 C ATOM 1727 C LYS B 45 -16.918 7.685 -10.698 1.00 0.00 C ATOM 1728 O LYS B 45 -16.542 7.932 -11.827 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.199 6.679 -10.720 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.077 5.579 -10.118 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.546 5.881 -10.427 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.402 4.646 -10.136 1.00 0.00 C ATOM 1733 NZ LYS B 45 -23.834 5.046 -10.044 1.00 0.00 N ATOM 0 H LYS B 45 -18.099 6.669 -8.319 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.342 5.590 -11.006 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.496 7.650 -10.323 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.343 6.719 -11.800 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -19.798 4.609 -10.530 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -19.924 5.524 -9.040 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -21.888 6.722 -9.824 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.655 6.172 -11.472 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -22.270 3.905 -10.924 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -22.083 4.180 -9.204 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -24.378 4.286 -9.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -23.916 5.917 -9.481 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -24.209 5.215 -10.999 1.00 0.00 H new ATOM 1747 N ARG B 46 -16.658 8.497 -9.698 1.00 0.00 N ATOM 1748 CA ARG B 46 -15.883 9.765 -9.920 1.00 0.00 C ATOM 1749 C ARG B 46 -14.789 9.861 -8.855 1.00 0.00 C ATOM 1750 O ARG B 46 -14.660 10.837 -8.147 1.00 0.00 O ATOM 1751 CB ARG B 46 -16.842 10.971 -9.826 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.114 12.331 -9.982 1.00 0.00 C ATOM 1753 CD ARG B 46 -14.971 12.254 -11.003 1.00 0.00 C ATOM 1754 NE ARG B 46 -14.486 13.631 -11.301 1.00 0.00 N ATOM 1755 CZ ARG B 46 -13.343 13.804 -11.906 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -12.624 12.770 -12.250 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -12.918 15.009 -12.167 1.00 0.00 N ATOM 0 H ARG B 46 -16.950 8.336 -8.734 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.422 9.765 -10.908 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -17.606 10.883 -10.598 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.355 10.947 -8.865 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.829 13.092 -10.294 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -15.718 12.644 -9.016 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -14.156 11.646 -10.610 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -15.316 11.771 -11.917 1.00 0.00 H new ATOM 0 HE ARG B 46 -15.048 14.439 -11.032 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -12.956 11.827 -12.046 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -11.730 12.905 -12.723 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -13.479 15.817 -11.898 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -12.024 15.143 -12.640 1.00 0.00 H new ATOM 1771 N SER B 47 -13.993 8.843 -8.752 1.00 0.00 N ATOM 1772 CA SER B 47 -12.895 8.843 -7.765 1.00 0.00 C ATOM 1773 C SER B 47 -11.962 7.694 -8.121 1.00 0.00 C ATOM 1774 O SER B 47 -11.450 7.615 -9.219 1.00 0.00 O ATOM 1775 CB SER B 47 -13.457 8.665 -6.349 1.00 0.00 C ATOM 1776 OG SER B 47 -14.572 9.529 -6.175 1.00 0.00 O ATOM 0 H SER B 47 -14.060 7.998 -9.320 1.00 0.00 H new ATOM 0 HA SER B 47 -12.355 9.789 -7.788 1.00 0.00 H new ATOM 0 HB2 SER B 47 -13.757 7.629 -6.192 1.00 0.00 H new ATOM 0 HB3 SER B 47 -12.689 8.890 -5.609 1.00 0.00 H new ATOM 0 HG SER B 47 -14.393 10.386 -6.614 1.00 0.00 H new ATOM 1782 N LYS B 48 -11.764 6.794 -7.221 1.00 0.00 N ATOM 1783 CA LYS B 48 -10.888 5.629 -7.498 1.00 0.00 C ATOM 1784 C LYS B 48 -11.265 4.538 -6.510 1.00 0.00 C ATOM 1785 O LYS B 48 -12.196 3.782 -6.714 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.410 6.016 -7.296 1.00 0.00 C ATOM 1787 CG LYS B 48 -8.861 6.742 -8.536 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.330 6.769 -8.484 1.00 0.00 C ATOM 1789 CE LYS B 48 -6.783 7.321 -9.805 1.00 0.00 C ATOM 1790 NZ LYS B 48 -7.690 8.389 -10.312 1.00 0.00 N ATOM 0 H LYS B 48 -12.175 6.810 -6.288 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.016 5.291 -8.526 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.314 6.658 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.819 5.121 -7.101 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.195 6.237 -9.442 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.251 7.759 -8.576 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -6.995 7.388 -7.652 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -6.944 5.765 -8.310 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -5.780 7.721 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -6.701 6.520 -10.540 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -7.205 8.933 -11.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -8.550 7.956 -10.706 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -7.949 9.024 -9.530 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.545 4.482 -5.426 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.813 3.477 -4.363 1.00 0.00 C ATOM 1806 C GLN B 49 -11.023 4.237 -3.045 1.00 0.00 C ATOM 1807 O GLN B 49 -10.396 5.256 -2.802 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.587 2.544 -4.267 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.862 1.215 -4.985 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.683 0.265 -4.769 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -7.723 0.610 -4.108 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -8.716 -0.926 -5.301 1.00 0.00 N ATOM 0 H GLN B 49 -9.763 5.106 -5.228 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.698 2.879 -4.580 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -8.718 3.030 -4.710 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.348 2.355 -3.220 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.779 0.766 -4.603 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -10.012 1.389 -6.050 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -9.522 -1.215 -5.856 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -7.936 -1.568 -5.162 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.905 3.765 -2.196 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.159 4.469 -0.896 1.00 0.00 C ATOM 1823 C VAL B 50 -12.143 3.442 0.227 1.00 0.00 C ATOM 1824 O VAL B 50 -12.905 2.502 0.227 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.534 5.166 -0.939 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.574 6.304 0.096 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.787 5.711 -2.354 1.00 0.00 C ATOM 0 H VAL B 50 -12.460 2.923 -2.346 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.387 5.220 -0.726 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.317 4.449 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.547 6.793 0.062 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.408 5.895 1.093 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.794 7.031 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.759 6.204 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -13.008 6.428 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.774 4.888 -3.069 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.285 3.622 1.186 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.211 2.654 2.310 1.00 0.00 C ATOM 1839 C CYS B 51 -12.435 2.829 3.205 1.00 0.00 C ATOM 1840 O CYS B 51 -12.990 3.906 3.311 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.942 2.923 3.119 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.490 2.556 2.102 1.00 0.00 S ATOM 0 H CYS B 51 -10.629 4.401 1.241 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.188 1.636 1.922 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.918 3.963 3.444 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.934 2.308 4.019 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.873 1.774 3.840 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.078 1.869 4.720 1.00 0.00 C ATOM 1849 C ALA B 52 -13.892 0.976 5.949 1.00 0.00 C ATOM 1850 O ALA B 52 -13.446 -0.153 5.852 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.307 1.397 3.940 1.00 0.00 C ATOM 0 H ALA B 52 -12.448 0.848 3.788 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.212 2.902 5.039 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.189 1.464 4.576 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.445 2.027 3.061 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.164 0.363 3.626 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.233 1.478 7.105 1.00 0.00 N ATOM 1858 CA ASP B 53 -14.085 0.671 8.350 1.00 0.00 C ATOM 1859 C ASP B 53 -15.104 -0.495 8.333 1.00 0.00 C ATOM 1860 O ASP B 53 -16.291 -0.237 8.329 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.389 1.566 9.556 1.00 0.00 C ATOM 1862 CG ASP B 53 -13.285 2.613 9.709 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -13.397 3.658 9.090 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -12.348 2.352 10.444 1.00 0.00 O ATOM 0 H ASP B 53 -14.609 2.416 7.241 1.00 0.00 H new ATOM 0 HA ASP B 53 -13.071 0.276 8.412 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -15.353 2.056 9.424 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -14.460 0.962 10.461 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.655 -1.746 8.327 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.602 -2.883 8.316 1.00 0.00 C ATOM 1871 C PRO B 54 -16.487 -2.842 9.571 1.00 0.00 C ATOM 1872 O PRO B 54 -17.402 -3.626 9.725 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.714 -4.148 8.307 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.229 -3.682 8.296 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.225 -2.138 8.328 1.00 0.00 C ATOM 0 HA PRO B 54 -16.272 -2.858 7.457 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.916 -4.763 9.184 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.929 -4.761 7.432 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.695 -4.084 9.157 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.719 -4.048 7.405 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.715 -1.764 9.215 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.703 -1.727 7.463 1.00 0.00 H new ATOM 1883 N SER B 55 -16.206 -1.946 10.472 1.00 0.00 N ATOM 1884 CA SER B 55 -17.012 -1.865 11.723 1.00 0.00 C ATOM 1885 C SER B 55 -18.359 -1.197 11.437 1.00 0.00 C ATOM 1886 O SER B 55 -19.304 -1.349 12.185 1.00 0.00 O ATOM 1887 CB SER B 55 -16.250 -1.042 12.763 1.00 0.00 C ATOM 1888 OG SER B 55 -17.072 -0.855 13.907 1.00 0.00 O ATOM 0 H SER B 55 -15.451 -1.264 10.398 1.00 0.00 H new ATOM 0 HA SER B 55 -17.186 -2.872 12.102 1.00 0.00 H new ATOM 0 HB2 SER B 55 -15.328 -1.552 13.043 1.00 0.00 H new ATOM 0 HB3 SER B 55 -15.966 -0.077 12.343 1.00 0.00 H new ATOM 0 HG SER B 55 -16.586 -0.329 14.576 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.464 -0.463 10.362 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.761 0.202 10.042 1.00 0.00 C ATOM 1896 C GLU B 56 -20.691 -0.807 9.360 1.00 0.00 C ATOM 1897 O GLU B 56 -20.400 -1.335 8.303 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.510 1.394 9.117 1.00 0.00 C ATOM 1899 CG GLU B 56 -19.013 2.590 9.935 1.00 0.00 C ATOM 1900 CD GLU B 56 -18.514 3.685 8.990 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -18.500 3.445 7.794 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -18.153 4.742 9.478 1.00 0.00 O ATOM 0 H GLU B 56 -17.712 -0.295 9.694 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.229 0.559 10.959 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.773 1.129 8.359 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.428 1.658 8.591 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -19.818 2.975 10.561 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.210 2.278 10.603 1.00 0.00 H new ATOM 1909 N SER B 57 -21.801 -1.085 9.978 1.00 0.00 N ATOM 1910 CA SER B 57 -22.770 -2.068 9.415 1.00 0.00 C ATOM 1911 C SER B 57 -23.089 -1.766 7.948 1.00 0.00 C ATOM 1912 O SER B 57 -23.245 -2.668 7.149 1.00 0.00 O ATOM 1913 CB SER B 57 -24.063 -2.021 10.229 1.00 0.00 C ATOM 1914 OG SER B 57 -24.618 -0.715 10.154 1.00 0.00 O ATOM 0 H SER B 57 -22.085 -0.667 10.864 1.00 0.00 H new ATOM 0 HA SER B 57 -22.319 -3.059 9.468 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.774 -2.753 9.846 1.00 0.00 H new ATOM 0 HB3 SER B 57 -23.862 -2.284 11.268 1.00 0.00 H new ATOM 0 HG SER B 57 -25.448 -0.682 10.674 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.212 -0.519 7.577 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.547 -0.220 6.156 1.00 0.00 C ATOM 1922 C TRP B 58 -22.450 -0.763 5.246 1.00 0.00 C ATOM 1923 O TRP B 58 -22.704 -1.173 4.133 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.756 1.290 5.950 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.457 2.031 5.876 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.966 2.821 6.860 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.500 2.102 4.778 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.769 3.372 6.437 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.432 2.956 5.169 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.446 1.514 3.492 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.351 3.218 4.316 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.359 1.775 2.631 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.313 2.624 3.044 1.00 0.00 C ATOM 0 H TRP B 58 -23.097 0.292 8.185 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.484 -0.713 5.897 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.321 1.456 5.033 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.354 1.688 6.769 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.432 2.993 7.819 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -20.204 4.010 6.998 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.242 0.861 3.167 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.553 3.872 4.635 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.329 1.322 1.651 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.482 2.818 2.382 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.238 -0.802 5.714 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.147 -1.346 4.866 1.00 0.00 C ATOM 1946 C VAL B 59 -20.417 -2.824 4.625 1.00 0.00 C ATOM 1947 O VAL B 59 -20.337 -3.309 3.514 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.811 -1.170 5.587 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.681 -1.783 4.753 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.559 0.323 5.782 1.00 0.00 C ATOM 0 H VAL B 59 -20.956 -0.483 6.641 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.106 -0.818 3.913 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.842 -1.673 6.553 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.733 -1.653 5.274 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.872 -2.846 4.607 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.633 -1.286 3.784 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.609 0.468 6.296 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.525 0.816 4.811 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.363 0.753 6.379 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.756 -3.542 5.654 1.00 0.00 N ATOM 1961 CA GLN B 60 -21.054 -4.989 5.470 1.00 0.00 C ATOM 1962 C GLN B 60 -22.294 -5.136 4.585 1.00 0.00 C ATOM 1963 O GLN B 60 -22.386 -6.031 3.768 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.314 -5.638 6.832 1.00 0.00 C ATOM 1965 CG GLN B 60 -21.450 -7.151 6.660 1.00 0.00 C ATOM 1966 CD GLN B 60 -21.513 -7.818 8.035 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -22.382 -7.520 8.829 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -20.621 -8.717 8.352 1.00 0.00 N ATOM 0 H GLN B 60 -20.840 -3.195 6.609 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.205 -5.481 4.996 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -20.496 -5.411 7.516 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -22.222 -5.229 7.274 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -22.350 -7.383 6.090 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -20.604 -7.541 6.094 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -19.891 -8.968 7.686 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -20.654 -9.168 9.266 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.251 -4.263 4.744 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.493 -4.342 3.920 1.00 0.00 C ATOM 1979 C GLU B 61 -24.164 -4.073 2.448 1.00 0.00 C ATOM 1980 O GLU B 61 -24.561 -4.812 1.569 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.498 -3.300 4.415 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.871 -3.585 3.802 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.484 -4.816 4.471 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -27.482 -4.866 5.690 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -27.944 -5.689 3.753 1.00 0.00 O ATOM 0 H GLU B 61 -23.227 -3.493 5.413 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.921 -5.340 4.013 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.561 -3.327 5.503 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.166 -2.299 4.140 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -27.525 -2.723 3.933 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -26.774 -3.751 2.729 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.448 -3.018 2.174 1.00 0.00 N ATOM 1993 CA TYR B 62 -23.101 -2.697 0.758 1.00 0.00 C ATOM 1994 C TYR B 62 -22.262 -3.835 0.167 1.00 0.00 C ATOM 1995 O TYR B 62 -22.395 -4.176 -0.992 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.304 -1.382 0.700 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.238 -0.185 0.737 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.224 -0.072 1.742 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.117 0.827 -0.239 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.080 1.048 1.766 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.973 1.943 -0.213 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.954 2.053 0.790 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.794 3.149 0.816 1.00 0.00 O ATOM 0 H TYR B 62 -23.087 -2.363 2.868 1.00 0.00 H new ATOM 0 HA TYR B 62 -24.018 -2.584 0.180 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.610 -1.334 1.540 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.705 -1.354 -0.210 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.322 -0.843 2.492 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.364 0.744 -1.009 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.834 1.134 2.535 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.877 2.715 -0.962 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.573 3.748 0.073 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.408 -4.433 0.950 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.583 -5.547 0.421 1.00 0.00 C ATOM 2015 C VAL B 63 -21.514 -6.700 0.075 1.00 0.00 C ATOM 2016 O VAL B 63 -21.363 -7.362 -0.930 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.575 -5.990 1.485 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.896 -7.292 1.049 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.515 -4.899 1.661 1.00 0.00 C ATOM 0 H VAL B 63 -21.248 -4.198 1.929 1.00 0.00 H new ATOM 0 HA VAL B 63 -20.035 -5.228 -0.466 1.00 0.00 H new ATOM 0 HB VAL B 63 -20.096 -6.156 2.428 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.180 -7.602 1.810 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.649 -8.070 0.921 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.375 -7.132 0.105 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.795 -5.210 2.418 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -17.999 -4.737 0.715 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -18.995 -3.973 1.976 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.484 -6.936 0.909 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.439 -8.037 0.645 1.00 0.00 C ATOM 2031 C TYR B 64 -24.201 -7.739 -0.644 1.00 0.00 C ATOM 2032 O TYR B 64 -24.405 -8.597 -1.477 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.424 -8.142 1.813 1.00 0.00 C ATOM 2034 CG TYR B 64 -25.096 -9.496 1.798 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.372 -10.644 2.174 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.445 -9.612 1.408 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -24.997 -11.907 2.159 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -27.069 -10.874 1.393 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.344 -12.021 1.769 1.00 0.00 C ATOM 2040 OH TYR B 64 -26.955 -13.258 1.755 1.00 0.00 O ATOM 0 H TYR B 64 -22.655 -6.410 1.766 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.900 -8.979 0.540 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.899 -7.997 2.757 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.173 -7.354 1.741 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.338 -10.556 2.474 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -27.001 -8.732 1.120 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.442 -12.788 2.447 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -28.103 -10.962 1.093 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.885 -13.160 1.463 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.621 -6.518 -0.806 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.376 -6.138 -2.031 1.00 0.00 C ATOM 2052 C ASP B 65 -24.498 -6.367 -3.264 1.00 0.00 C ATOM 2053 O ASP B 65 -24.972 -6.742 -4.319 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.761 -4.657 -1.941 1.00 0.00 C ATOM 2055 CG ASP B 65 -26.981 -4.494 -1.031 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -27.962 -5.183 -1.257 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -26.914 -3.680 -0.124 1.00 0.00 O ATOM 0 H ASP B 65 -24.473 -5.761 -0.138 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.276 -6.747 -2.114 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.925 -4.077 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -25.982 -4.268 -2.935 1.00 0.00 H new ATOM 2062 N LEU B 66 -23.222 -6.145 -3.137 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.304 -6.349 -4.292 1.00 0.00 C ATOM 2064 C LEU B 66 -22.149 -7.848 -4.563 1.00 0.00 C ATOM 2065 O LEU B 66 -21.945 -8.268 -5.685 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.941 -5.728 -3.952 1.00 0.00 C ATOM 2067 CG LEU B 66 -20.975 -4.203 -4.192 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.879 -3.523 -3.367 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.727 -3.893 -5.677 1.00 0.00 C ATOM 0 H LEU B 66 -22.771 -5.829 -2.278 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.709 -5.872 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.689 -5.934 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -20.163 -6.183 -4.565 1.00 0.00 H new ATOM 0 HG LEU B 66 -21.955 -3.830 -3.896 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.908 -2.447 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -20.043 -3.725 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.905 -3.912 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.754 -2.815 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.751 -4.278 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.501 -4.366 -6.282 1.00 0.00 H new ATOM 2081 N GLU B 67 -22.251 -8.655 -3.547 1.00 0.00 N ATOM 2082 CA GLU B 67 -22.119 -10.127 -3.750 1.00 0.00 C ATOM 2083 C GLU B 67 -23.380 -10.653 -4.430 1.00 0.00 C ATOM 2084 O GLU B 67 -23.355 -11.642 -5.135 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.954 -10.815 -2.395 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.576 -10.486 -1.828 1.00 0.00 C ATOM 2087 CD GLU B 67 -20.338 -11.296 -0.553 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -21.194 -12.098 -0.216 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -19.305 -11.101 0.066 1.00 0.00 O ATOM 0 H GLU B 67 -22.420 -8.362 -2.585 1.00 0.00 H new ATOM 0 HA GLU B 67 -21.249 -10.334 -4.372 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.732 -10.482 -1.708 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -22.067 -11.894 -2.506 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -19.805 -10.713 -2.564 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.506 -9.420 -1.612 1.00 0.00 H new ATOM 2096 N LEU B 68 -24.484 -9.994 -4.223 1.00 0.00 N ATOM 2097 CA LEU B 68 -25.755 -10.447 -4.858 1.00 0.00 C ATOM 2098 C LEU B 68 -25.764 -10.035 -6.331 1.00 0.00 C ATOM 2099 O LEU B 68 -25.309 -10.762 -7.192 1.00 0.00 O ATOM 2100 CB LEU B 68 -26.944 -9.805 -4.149 1.00 0.00 C ATOM 2101 CG LEU B 68 -27.012 -10.291 -2.698 1.00 0.00 C ATOM 2102 CD1 LEU B 68 -28.144 -9.553 -1.992 1.00 0.00 C ATOM 2103 CD2 LEU B 68 -27.274 -11.811 -2.647 1.00 0.00 C ATOM 0 H LEU B 68 -24.563 -9.160 -3.641 1.00 0.00 H new ATOM 0 HA LEU B 68 -25.828 -11.532 -4.779 1.00 0.00 H new ATOM 0 HB2 LEU B 68 -26.850 -8.719 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU B 68 -27.868 -10.057 -4.669 1.00 0.00 H new ATOM 0 HG LEU B 68 -26.061 -10.090 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU B 68 -28.206 -9.888 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU B 68 -27.950 -8.481 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU B 68 -29.086 -9.762 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU B 68 -27.319 -12.138 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU B 68 -28.221 -12.034 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU B 68 -26.467 -12.337 -3.158 1.00 0.00 H new ATOM 2115 N ASN B 69 -26.279 -8.871 -6.630 1.00 0.00 N ATOM 2116 CA ASN B 69 -26.321 -8.408 -8.048 1.00 0.00 C ATOM 2117 C ASN B 69 -25.032 -7.651 -8.375 1.00 0.00 C ATOM 2118 O ASN B 69 -23.982 -8.095 -7.946 1.00 0.00 O ATOM 2119 CB ASN B 69 -27.520 -7.478 -8.244 1.00 0.00 C ATOM 2120 CG ASN B 69 -28.761 -8.104 -7.603 1.00 0.00 C ATOM 2121 OD1 ASN B 69 -29.121 -7.765 -6.493 1.00 0.00 O ATOM 2122 ND2 ASN B 69 -29.433 -9.009 -8.259 1.00 0.00 N ATOM 2123 OXT ASN B 69 -25.120 -6.638 -9.050 1.00 0.00 O ATOM 0 H ASN B 69 -26.673 -8.220 -5.951 1.00 0.00 H new ATOM 0 HA ASN B 69 -26.415 -9.269 -8.709 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -27.317 -6.506 -7.795 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -27.693 -7.309 -9.307 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -30.261 -9.433 -7.840 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -29.130 -9.293 -9.191 1.00 0.00 H new TER 2130 ASN B 69 HETATM 2131 O HOH A 201 6.708 1.847 5.751 1.00 0.00 O HETATM 2134 O HOH A 202 4.261 5.728 6.435 1.00 0.00 O HETATM 2137 O HOH B 301 -6.474 -1.606 5.680 1.00 0.00 O HETATM 2140 O HOH B 302 -4.385 -5.577 6.504 1.00 0.00 O