USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 19 LYS NZ :NH3+ 144:sc= 0.492 (180deg=-0.16) USER MOD Set 1.2: B 62 TYR OH : rot 180:sc= 0.441 USER MOD Set 2.1: A 5 SER OG : rot 180:sc= -0.51 USER MOD Set 2.2: B 44 THR OG1 : rot -105:sc= 0.338! USER MOD Set 2.3: B 47 SER OG : rot 168:sc= 1.11! USER MOD Set 3.1: A 44 THR OG1 : rot 149:sc= 1.25 USER MOD Set 3.2: A 47 SER OG : rot -76:sc= 0.364! USER MOD Set 3.3: B 5 SER OG : rot 180:sc= -0.498 USER MOD Set 4.1: A 19 LYS NZ :NH3+ 145:sc= 0.67 (180deg=-0.148) USER MOD Set 4.2: A 62 TYR OH : rot 180:sc= 0.298 USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.341 USER MOD Single : A 14 SER OG : rot -87:sc= 1.53 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 74:sc= 0.111! USER MOD Single : A 23 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.01) 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 44:sc= -1.35 USER MOD Single : A 32 SER OG : rot -130:sc= -0.152 USER MOD Single : A 33 SER OG : rot 180:sc= -0.15 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 43 GLN : amide:sc= -1.92! C(o=-1.9!,f=-5.8!) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= 0.955 (180deg=0.039!) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.268 (180deg=-0.933) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 172:sc= -0.421 USER MOD Single : B 14 SER OG : rot -85:sc= 1.6 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.0535! USER MOD Single : B 23 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.0035) 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= -1.36! USER MOD Single : B 32 SER OG : rot -130:sc= -0.161 USER MOD Single : B 33 SER OG : rot 180:sc= -0.137 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : B 43 GLN : amide:sc= -1.94! C(o=-1.9!,f=-5.9!) USER MOD Single : B 45 LYS NZ :NH3+ -162:sc= 0.909 (180deg=0.0367!) USER MOD Single : B 48 LYS NZ :NH3+ 155:sc= -0.174 (180deg=-1.06) USER MOD Single : B 49 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : B 55 SER OG : rot 180:sc= -0.0037 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -10.627 10.191 -4.163 1.00 0.00 N ATOM 52 CA SER A 5 -11.390 9.959 -2.907 1.00 0.00 C ATOM 53 C SER A 5 -10.422 9.578 -1.775 1.00 0.00 C ATOM 54 O SER A 5 -9.835 10.434 -1.144 1.00 0.00 O ATOM 55 CB SER A 5 -12.390 8.837 -3.157 1.00 0.00 C ATOM 56 OG SER A 5 -13.536 9.370 -3.807 1.00 0.00 O ATOM 0 HA SER A 5 -11.921 10.863 -2.610 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.937 8.060 -3.772 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.676 8.371 -2.214 1.00 0.00 H new ATOM 0 HG SER A 5 -14.182 8.652 -3.972 1.00 0.00 H new ATOM 62 N ASP A 6 -10.241 8.304 -1.509 1.00 0.00 N ATOM 63 CA ASP A 6 -9.300 7.900 -0.414 1.00 0.00 C ATOM 64 C ASP A 6 -8.812 6.462 -0.652 1.00 0.00 C ATOM 65 O ASP A 6 -9.160 5.571 0.097 1.00 0.00 O ATOM 66 CB ASP A 6 -10.012 7.968 0.948 1.00 0.00 C ATOM 67 CG ASP A 6 -10.848 9.247 1.034 1.00 0.00 C ATOM 68 OD1 ASP A 6 -11.882 9.299 0.388 1.00 0.00 O ATOM 69 OD2 ASP A 6 -10.442 10.151 1.744 1.00 0.00 O ATOM 0 H ASP A 6 -10.699 7.534 -1.997 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.451 8.583 -0.414 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.652 7.095 1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.278 7.948 1.754 1.00 0.00 H new ATOM 74 N PRO A 7 -8.020 6.267 -1.684 1.00 0.00 N ATOM 75 CA PRO A 7 -7.494 4.926 -2.004 1.00 0.00 C ATOM 76 C PRO A 7 -6.560 4.450 -0.868 1.00 0.00 C ATOM 77 O PRO A 7 -6.205 5.233 -0.009 1.00 0.00 O ATOM 78 CB PRO A 7 -6.723 5.111 -3.335 1.00 0.00 C ATOM 79 CG PRO A 7 -6.793 6.621 -3.712 1.00 0.00 C ATOM 80 CD PRO A 7 -7.594 7.342 -2.606 1.00 0.00 C ATOM 0 HA PRO A 7 -8.275 4.172 -2.101 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.687 4.791 -3.225 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.164 4.499 -4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.791 7.042 -3.795 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.275 6.752 -4.681 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.981 8.083 -2.093 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.452 7.871 -3.020 1.00 0.00 H new ATOM 88 N PRO A 8 -6.183 3.186 -0.895 1.00 0.00 N ATOM 89 CA PRO A 8 -5.287 2.624 0.138 1.00 0.00 C ATOM 90 C PRO A 8 -3.934 3.354 0.109 1.00 0.00 C ATOM 91 O PRO A 8 -3.824 4.462 -0.379 1.00 0.00 O ATOM 92 CB PRO A 8 -5.129 1.131 -0.241 1.00 0.00 C ATOM 93 CG PRO A 8 -5.871 0.913 -1.592 1.00 0.00 C ATOM 94 CD PRO A 8 -6.611 2.225 -1.934 1.00 0.00 C ATOM 0 HA PRO A 8 -5.681 2.739 1.148 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.075 0.868 -0.335 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.549 0.491 0.535 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.164 0.655 -2.380 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.576 0.085 -1.513 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.348 2.578 -2.931 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.692 2.084 -1.920 1.00 0.00 H new ATOM 102 N THR A 9 -2.904 2.737 0.630 1.00 0.00 N ATOM 103 CA THR A 9 -1.561 3.388 0.634 1.00 0.00 C ATOM 104 C THR A 9 -0.471 2.317 0.650 1.00 0.00 C ATOM 105 O THR A 9 -0.471 1.424 1.473 1.00 0.00 O ATOM 106 CB THR A 9 -1.425 4.265 1.879 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.580 5.081 2.010 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.183 5.149 1.748 1.00 0.00 C ATOM 0 H THR A 9 -2.936 1.809 1.053 1.00 0.00 H new ATOM 0 HA THR A 9 -1.455 4.001 -0.261 1.00 0.00 H new ATOM 0 HB THR A 9 -1.326 3.633 2.761 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.571 5.522 2.885 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.086 5.774 2.636 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.702 4.521 1.648 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.279 5.783 0.866 1.00 0.00 H new ATOM 116 N ALA A 10 0.457 2.405 -0.260 1.00 0.00 N ATOM 117 CA ALA A 10 1.554 1.402 -0.311 1.00 0.00 C ATOM 118 C ALA A 10 2.466 1.569 0.905 1.00 0.00 C ATOM 119 O ALA A 10 3.522 2.166 0.819 1.00 0.00 O ATOM 120 CB ALA A 10 2.366 1.617 -1.587 1.00 0.00 C ATOM 0 H ALA A 10 0.503 3.132 -0.974 1.00 0.00 H new ATOM 0 HA ALA A 10 1.130 0.398 -0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.173 0.885 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.718 1.497 -2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.787 2.622 -1.585 1.00 0.00 H new ATOM 126 N CYS A 11 2.070 1.036 2.033 1.00 0.00 N ATOM 127 CA CYS A 11 2.909 1.146 3.268 1.00 0.00 C ATOM 128 C CYS A 11 3.495 -0.231 3.587 1.00 0.00 C ATOM 129 O CYS A 11 2.811 -1.234 3.533 1.00 0.00 O ATOM 130 CB CYS A 11 2.034 1.611 4.437 1.00 0.00 C ATOM 131 SG CYS A 11 1.178 3.139 3.980 1.00 0.00 S ATOM 0 H CYS A 11 1.195 0.525 2.153 1.00 0.00 H new ATOM 0 HA CYS A 11 3.713 1.865 3.111 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.309 0.838 4.693 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.649 1.777 5.322 1.00 0.00 H new ATOM 136 N CYS A 12 4.759 -0.291 3.907 1.00 0.00 N ATOM 137 CA CYS A 12 5.381 -1.609 4.220 1.00 0.00 C ATOM 138 C CYS A 12 4.845 -2.121 5.557 1.00 0.00 C ATOM 139 O CYS A 12 4.593 -1.359 6.469 1.00 0.00 O ATOM 140 CB CYS A 12 6.903 -1.452 4.309 1.00 0.00 C ATOM 141 SG CYS A 12 7.566 -1.025 2.680 1.00 0.00 S ATOM 0 H CYS A 12 5.386 0.512 3.965 1.00 0.00 H new ATOM 0 HA CYS A 12 5.135 -2.320 3.431 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.157 -0.676 5.031 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.354 -2.378 4.665 1.00 0.00 H new ATOM 146 N PHE A 13 4.676 -3.413 5.681 1.00 0.00 N ATOM 147 CA PHE A 13 4.162 -3.997 6.960 1.00 0.00 C ATOM 148 C PHE A 13 5.334 -4.620 7.719 1.00 0.00 C ATOM 149 O PHE A 13 5.260 -4.871 8.906 1.00 0.00 O ATOM 150 CB PHE A 13 3.130 -5.082 6.642 1.00 0.00 C ATOM 151 CG PHE A 13 3.802 -6.207 5.894 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.096 -6.065 4.525 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.140 -7.398 6.567 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.727 -7.112 3.828 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.770 -8.446 5.870 1.00 0.00 C ATOM 156 CZ PHE A 13 5.064 -8.303 4.501 1.00 0.00 C ATOM 0 H PHE A 13 4.873 -4.094 4.947 1.00 0.00 H new ATOM 0 HA PHE A 13 3.696 -3.220 7.565 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.685 -5.458 7.563 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.320 -4.665 6.044 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.837 -5.152 4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.916 -7.507 7.618 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.953 -7.003 2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.028 -9.359 6.385 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.548 -9.107 3.966 1.00 0.00 H new ATOM 166 N SER A 14 6.416 -4.867 7.035 1.00 0.00 N ATOM 167 CA SER A 14 7.606 -5.471 7.693 1.00 0.00 C ATOM 168 C SER A 14 8.850 -5.131 6.873 1.00 0.00 C ATOM 169 O SER A 14 8.908 -4.111 6.215 1.00 0.00 O ATOM 170 CB SER A 14 7.438 -6.990 7.762 1.00 0.00 C ATOM 171 OG SER A 14 7.425 -7.520 6.443 1.00 0.00 O ATOM 0 H SER A 14 6.527 -4.674 6.040 1.00 0.00 H new ATOM 0 HA SER A 14 7.709 -5.076 8.704 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.252 -7.432 8.336 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.511 -7.242 8.277 1.00 0.00 H new ATOM 0 HG SER A 14 6.510 -7.502 6.092 1.00 0.00 H new ATOM 177 N TYR A 15 9.849 -5.972 6.900 1.00 0.00 N ATOM 178 CA TYR A 15 11.087 -5.687 6.115 1.00 0.00 C ATOM 179 C TYR A 15 11.795 -7.001 5.787 1.00 0.00 C ATOM 180 O TYR A 15 11.594 -8.007 6.437 1.00 0.00 O ATOM 181 CB TYR A 15 12.025 -4.792 6.936 1.00 0.00 C ATOM 182 CG TYR A 15 11.223 -3.739 7.662 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.861 -2.549 7.004 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.836 -3.950 9.000 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.113 -1.569 7.683 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.088 -2.969 9.679 1.00 0.00 C ATOM 187 CZ TYR A 15 9.726 -1.779 9.021 1.00 0.00 C ATOM 188 OH TYR A 15 8.993 -0.818 9.687 1.00 0.00 O ATOM 0 H TYR A 15 9.862 -6.843 7.431 1.00 0.00 H new ATOM 0 HA TYR A 15 10.819 -5.176 5.190 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.583 -5.395 7.652 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.756 -4.318 6.281 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.157 -2.388 5.978 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.113 -4.864 9.505 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.836 -0.656 7.178 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.792 -3.130 10.705 1.00 0.00 H new ATOM 0 HH TYR A 15 8.809 -1.122 10.600 1.00 0.00 H new ATOM 198 N THR A 16 12.631 -6.999 4.784 1.00 0.00 N ATOM 199 CA THR A 16 13.355 -8.249 4.424 1.00 0.00 C ATOM 200 C THR A 16 14.157 -8.725 5.636 1.00 0.00 C ATOM 201 O THR A 16 13.997 -8.224 6.731 1.00 0.00 O ATOM 202 CB THR A 16 14.293 -7.980 3.239 1.00 0.00 C ATOM 203 OG1 THR A 16 15.235 -9.037 3.126 1.00 0.00 O ATOM 204 CG2 THR A 16 15.032 -6.658 3.448 1.00 0.00 C ATOM 0 H THR A 16 12.842 -6.189 4.201 1.00 0.00 H new ATOM 0 HA THR A 16 12.642 -9.022 4.136 1.00 0.00 H new ATOM 0 HB THR A 16 13.702 -7.920 2.325 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.792 -9.833 2.765 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.695 -6.474 2.603 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.309 -5.846 3.525 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.619 -6.710 4.365 1.00 0.00 H new ATOM 212 N ALA A 17 15.020 -9.687 5.449 1.00 0.00 N ATOM 213 CA ALA A 17 15.844 -10.206 6.582 1.00 0.00 C ATOM 214 C ALA A 17 17.273 -10.409 6.086 1.00 0.00 C ATOM 215 O ALA A 17 18.074 -11.079 6.707 1.00 0.00 O ATOM 216 CB ALA A 17 15.270 -11.542 7.055 1.00 0.00 C ATOM 0 H ALA A 17 15.192 -10.141 4.552 1.00 0.00 H new ATOM 0 HA ALA A 17 15.834 -9.499 7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.869 -11.923 7.882 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.242 -11.399 7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.289 -12.258 6.233 1.00 0.00 H new ATOM 222 N ARG A 18 17.594 -9.822 4.964 1.00 0.00 N ATOM 223 CA ARG A 18 18.967 -9.955 4.395 1.00 0.00 C ATOM 224 C ARG A 18 19.377 -8.620 3.770 1.00 0.00 C ATOM 225 O ARG A 18 18.713 -8.103 2.895 1.00 0.00 O ATOM 226 CB ARG A 18 18.966 -11.045 3.321 1.00 0.00 C ATOM 227 CG ARG A 18 19.042 -12.419 3.991 1.00 0.00 C ATOM 228 CD ARG A 18 18.679 -13.501 2.978 1.00 0.00 C ATOM 229 NE ARG A 18 19.706 -13.536 1.899 1.00 0.00 N ATOM 230 CZ ARG A 18 19.770 -14.559 1.092 1.00 0.00 C ATOM 231 NH1 ARG A 18 18.932 -15.551 1.229 1.00 0.00 N ATOM 232 NH2 ARG A 18 20.670 -14.591 0.148 1.00 0.00 N ATOM 0 H ARG A 18 16.956 -9.249 4.411 1.00 0.00 H new ATOM 0 HA ARG A 18 19.672 -10.224 5.182 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.063 -10.973 2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.813 -10.909 2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.046 -12.591 4.379 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.361 -12.459 4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.621 -14.471 3.471 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.696 -13.301 2.552 1.00 0.00 H new ATOM 0 HE ARG A 18 20.359 -12.760 1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.228 -15.526 1.967 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.981 -16.351 0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.324 -13.816 0.041 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.719 -15.391 -0.483 1.00 0.00 H new ATOM 246 N LYS A 19 20.470 -8.059 4.208 1.00 0.00 N ATOM 247 CA LYS A 19 20.920 -6.764 3.631 1.00 0.00 C ATOM 248 C LYS A 19 21.234 -6.972 2.146 1.00 0.00 C ATOM 249 O LYS A 19 22.007 -7.835 1.781 1.00 0.00 O ATOM 250 CB LYS A 19 22.166 -6.287 4.391 1.00 0.00 C ATOM 251 CG LYS A 19 22.816 -5.099 3.685 1.00 0.00 C ATOM 252 CD LYS A 19 24.011 -4.634 4.514 1.00 0.00 C ATOM 253 CE LYS A 19 24.869 -3.688 3.686 1.00 0.00 C ATOM 254 NZ LYS A 19 25.678 -4.474 2.712 1.00 0.00 N ATOM 0 H LYS A 19 21.069 -8.442 4.939 1.00 0.00 H new ATOM 0 HA LYS A 19 20.142 -6.006 3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 19 21.891 -6.005 5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 19 22.883 -7.104 4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 19 23.138 -5.384 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.097 -4.288 3.570 1.00 0.00 H new ATOM 0 HD2 LYS A 19 23.666 -4.132 5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 19 24.602 -5.493 4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 19 24.236 -2.975 3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 19 25.525 -3.111 4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 25.779 -3.934 1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 26.619 -4.661 3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.201 -5.377 2.513 1.00 0.00 H new ATOM 268 N LEU A 20 20.628 -6.196 1.288 1.00 0.00 N ATOM 269 CA LEU A 20 20.878 -6.359 -0.172 1.00 0.00 C ATOM 270 C LEU A 20 22.285 -5.827 -0.530 1.00 0.00 C ATOM 271 O LEU A 20 22.529 -4.649 -0.354 1.00 0.00 O ATOM 272 CB LEU A 20 19.845 -5.541 -0.953 1.00 0.00 C ATOM 273 CG LEU A 20 18.447 -5.756 -0.373 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.422 -5.092 -1.291 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.145 -7.255 -0.278 1.00 0.00 C ATOM 0 H LEU A 20 19.971 -5.456 1.536 1.00 0.00 H new ATOM 0 HA LEU A 20 20.805 -7.416 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.104 -4.483 -0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.859 -5.833 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 20 18.397 -5.318 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.421 -5.240 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.632 -4.025 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.481 -5.537 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.147 -7.400 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.193 -7.700 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.879 -7.734 0.370 1.00 0.00 H new ATOM 287 N PRO A 21 23.179 -6.663 -1.040 1.00 0.00 N ATOM 288 CA PRO A 21 24.522 -6.183 -1.417 1.00 0.00 C ATOM 289 C PRO A 21 24.396 -5.026 -2.411 1.00 0.00 C ATOM 290 O PRO A 21 23.484 -4.985 -3.210 1.00 0.00 O ATOM 291 CB PRO A 21 25.210 -7.401 -2.074 1.00 0.00 C ATOM 292 CG PRO A 21 24.297 -8.635 -1.830 1.00 0.00 C ATOM 293 CD PRO A 21 22.954 -8.110 -1.277 1.00 0.00 C ATOM 0 HA PRO A 21 25.091 -5.811 -0.565 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.351 -7.233 -3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 21 26.198 -7.563 -1.643 1.00 0.00 H new ATOM 0 HG2 PRO A 21 24.141 -9.187 -2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.761 -9.323 -1.123 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.143 -8.273 -1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.678 -8.623 -0.356 1.00 0.00 H new ATOM 301 N ARG A 22 25.312 -4.097 -2.385 1.00 0.00 N ATOM 302 CA ARG A 22 25.242 -2.967 -3.352 1.00 0.00 C ATOM 303 C ARG A 22 25.064 -3.542 -4.760 1.00 0.00 C ATOM 304 O ARG A 22 24.433 -2.950 -5.612 1.00 0.00 O ATOM 305 CB ARG A 22 26.542 -2.157 -3.285 1.00 0.00 C ATOM 306 CG ARG A 22 26.439 -0.925 -4.196 1.00 0.00 C ATOM 307 CD ARG A 22 25.346 0.035 -3.686 1.00 0.00 C ATOM 308 NE ARG A 22 25.648 1.439 -4.126 1.00 0.00 N ATOM 309 CZ ARG A 22 26.750 2.050 -3.778 1.00 0.00 C ATOM 310 NH1 ARG A 22 27.568 1.505 -2.920 1.00 0.00 N ATOM 311 NH2 ARG A 22 27.014 3.234 -4.262 1.00 0.00 N ATOM 0 H ARG A 22 26.101 -4.072 -1.740 1.00 0.00 H new ATOM 0 HA ARG A 22 24.404 -2.314 -3.108 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.734 -1.846 -2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.384 -2.778 -3.592 1.00 0.00 H new ATOM 0 HG2 ARG A 22 27.398 -0.409 -4.229 1.00 0.00 H new ATOM 0 HG3 ARG A 22 26.210 -1.237 -5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 22 24.373 -0.273 -4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 22 25.290 -0.010 -2.598 1.00 0.00 H new ATOM 0 HE ARG A 22 24.974 1.930 -4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 22 27.350 0.595 -2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 22 28.426 1.989 -2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 22 26.362 3.678 -4.908 1.00 0.00 H new ATOM 0 HH22 ARG A 22 27.873 3.715 -3.994 1.00 0.00 H new ATOM 325 N ASN A 23 25.619 -4.701 -5.000 1.00 0.00 N ATOM 326 CA ASN A 23 25.491 -5.334 -6.344 1.00 0.00 C ATOM 327 C ASN A 23 24.054 -5.825 -6.544 1.00 0.00 C ATOM 328 O ASN A 23 23.771 -6.582 -7.451 1.00 0.00 O ATOM 329 CB ASN A 23 26.470 -6.521 -6.441 1.00 0.00 C ATOM 330 CG ASN A 23 27.827 -6.036 -6.958 1.00 0.00 C ATOM 331 OD1 ASN A 23 28.837 -6.198 -6.302 1.00 0.00 O ATOM 332 ND2 ASN A 23 27.886 -5.444 -8.118 1.00 0.00 N ATOM 0 H ASN A 23 26.157 -5.238 -4.320 1.00 0.00 H new ATOM 0 HA ASN A 23 25.729 -4.605 -7.119 1.00 0.00 H new ATOM 0 HB2 ASN A 23 26.589 -6.986 -5.463 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.067 -7.282 -7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 23 28.782 -5.115 -8.478 1.00 0.00 H new ATOM 0 HD22 ASN A 23 27.036 -5.310 -8.666 1.00 0.00 H new ATOM 339 N PHE A 24 23.145 -5.410 -5.701 1.00 0.00 N ATOM 340 CA PHE A 24 21.725 -5.865 -5.840 1.00 0.00 C ATOM 341 C PHE A 24 20.786 -4.697 -5.517 1.00 0.00 C ATOM 342 O PHE A 24 19.682 -4.885 -5.048 1.00 0.00 O ATOM 343 CB PHE A 24 21.484 -7.027 -4.862 1.00 0.00 C ATOM 344 CG PHE A 24 20.301 -7.867 -5.304 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.328 -8.526 -6.552 1.00 0.00 C ATOM 346 CD2 PHE A 24 19.179 -8.002 -4.463 1.00 0.00 C ATOM 347 CE1 PHE A 24 19.233 -9.315 -6.955 1.00 0.00 C ATOM 348 CE2 PHE A 24 18.084 -8.791 -4.868 1.00 0.00 C ATOM 349 CZ PHE A 24 18.113 -9.448 -6.114 1.00 0.00 C ATOM 0 H PHE A 24 23.322 -4.776 -4.922 1.00 0.00 H new ATOM 0 HA PHE A 24 21.531 -6.201 -6.859 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.376 -7.650 -4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.303 -6.634 -3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 24 21.188 -8.425 -7.198 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.158 -7.500 -3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 24 19.253 -9.818 -7.910 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.223 -8.892 -4.224 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.275 -10.054 -6.424 1.00 0.00 H new ATOM 359 N VAL A 25 21.220 -3.489 -5.777 1.00 0.00 N ATOM 360 CA VAL A 25 20.365 -2.295 -5.500 1.00 0.00 C ATOM 361 C VAL A 25 20.713 -1.189 -6.500 1.00 0.00 C ATOM 362 O VAL A 25 21.593 -0.384 -6.265 1.00 0.00 O ATOM 363 CB VAL A 25 20.627 -1.788 -4.079 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.690 -0.619 -3.775 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.370 -2.911 -3.073 1.00 0.00 C ATOM 0 H VAL A 25 22.136 -3.278 -6.172 1.00 0.00 H new ATOM 0 HA VAL A 25 19.315 -2.570 -5.597 1.00 0.00 H new ATOM 0 HB VAL A 25 21.664 -1.461 -4.001 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.876 -0.257 -2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.870 0.186 -4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.655 -0.951 -3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.558 -2.545 -2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.334 -3.241 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 25 21.035 -3.748 -3.285 1.00 0.00 H new ATOM 375 N VAL A 26 20.037 -1.148 -7.616 1.00 0.00 N ATOM 376 CA VAL A 26 20.332 -0.101 -8.635 1.00 0.00 C ATOM 377 C VAL A 26 19.540 1.167 -8.322 1.00 0.00 C ATOM 378 O VAL A 26 19.782 2.214 -8.890 1.00 0.00 O ATOM 379 CB VAL A 26 19.931 -0.619 -10.015 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.927 -1.685 -10.468 1.00 0.00 C ATOM 381 CG2 VAL A 26 18.530 -1.232 -9.941 1.00 0.00 C ATOM 0 H VAL A 26 19.291 -1.797 -7.866 1.00 0.00 H new ATOM 0 HA VAL A 26 21.397 0.129 -8.619 1.00 0.00 H new ATOM 0 HB VAL A 26 19.932 0.206 -10.727 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.641 -2.055 -11.453 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.926 -1.252 -10.519 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.926 -2.510 -9.756 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.242 -1.602 -10.925 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.531 -2.057 -9.229 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.818 -0.474 -9.616 1.00 0.00 H new ATOM 391 N ASP A 27 18.595 1.088 -7.430 1.00 0.00 N ATOM 392 CA ASP A 27 17.796 2.299 -7.097 1.00 0.00 C ATOM 393 C ASP A 27 16.935 2.013 -5.870 1.00 0.00 C ATOM 394 O ASP A 27 17.076 0.992 -5.227 1.00 0.00 O ATOM 395 CB ASP A 27 16.893 2.653 -8.282 1.00 0.00 C ATOM 396 CG ASP A 27 16.313 4.054 -8.083 1.00 0.00 C ATOM 397 OD1 ASP A 27 17.008 4.889 -7.527 1.00 0.00 O ATOM 398 OD2 ASP A 27 15.184 4.269 -8.490 1.00 0.00 O ATOM 0 H ASP A 27 18.342 0.242 -6.919 1.00 0.00 H new ATOM 0 HA ASP A 27 18.465 3.134 -6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.462 2.612 -9.211 1.00 0.00 H new ATOM 0 HB3 ASP A 27 16.088 1.924 -8.369 1.00 0.00 H new ATOM 403 N TYR A 28 16.041 2.904 -5.538 1.00 0.00 N ATOM 404 CA TYR A 28 15.176 2.670 -4.351 1.00 0.00 C ATOM 405 C TYR A 28 13.885 3.472 -4.476 1.00 0.00 C ATOM 406 O TYR A 28 13.624 4.119 -5.471 1.00 0.00 O ATOM 407 CB TYR A 28 15.919 3.070 -3.071 1.00 0.00 C ATOM 408 CG TYR A 28 16.030 4.579 -2.965 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.778 5.302 -3.913 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.397 5.258 -1.905 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.890 6.701 -3.805 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.507 6.656 -1.795 1.00 0.00 C ATOM 413 CZ TYR A 28 16.255 7.379 -2.745 1.00 0.00 C ATOM 414 OH TYR A 28 16.366 8.751 -2.637 1.00 0.00 O ATOM 0 H TYR A 28 15.874 3.779 -6.035 1.00 0.00 H new ATOM 0 HA TYR A 28 14.929 1.610 -4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.393 2.677 -2.201 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.914 2.626 -3.069 1.00 0.00 H new ATOM 0 HD1 TYR A 28 17.267 4.783 -4.724 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.826 4.704 -1.175 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.462 7.255 -4.534 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.019 7.175 -0.983 1.00 0.00 H new ATOM 0 HH TYR A 28 15.868 9.059 -1.851 1.00 0.00 H new ATOM 424 N TYR A 29 13.072 3.413 -3.467 1.00 0.00 N ATOM 425 CA TYR A 29 11.779 4.139 -3.488 1.00 0.00 C ATOM 426 C TYR A 29 11.288 4.276 -2.041 1.00 0.00 C ATOM 427 O TYR A 29 11.331 3.336 -1.280 1.00 0.00 O ATOM 428 CB TYR A 29 10.786 3.324 -4.335 1.00 0.00 C ATOM 429 CG TYR A 29 9.361 3.709 -4.012 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.871 4.968 -4.397 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.527 2.807 -3.323 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.544 5.330 -4.095 1.00 0.00 C ATOM 433 CE2 TYR A 29 7.200 3.167 -3.020 1.00 0.00 C ATOM 434 CZ TYR A 29 6.709 4.429 -3.404 1.00 0.00 C ATOM 435 OH TYR A 29 5.409 4.783 -3.108 1.00 0.00 O ATOM 0 H TYR A 29 13.251 2.884 -2.614 1.00 0.00 H new ATOM 0 HA TYR A 29 11.879 5.133 -3.923 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.981 3.492 -5.394 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.931 2.260 -4.149 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.512 5.659 -4.925 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.905 1.840 -3.027 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.166 6.297 -4.393 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.559 2.475 -2.493 1.00 0.00 H new ATOM 0 HH TYR A 29 4.971 4.048 -2.630 1.00 0.00 H new ATOM 445 N GLU A 30 10.829 5.433 -1.647 1.00 0.00 N ATOM 446 CA GLU A 30 10.347 5.601 -0.241 1.00 0.00 C ATOM 447 C GLU A 30 8.842 5.321 -0.180 1.00 0.00 C ATOM 448 O GLU A 30 8.138 5.429 -1.164 1.00 0.00 O ATOM 449 CB GLU A 30 10.624 7.031 0.227 1.00 0.00 C ATOM 450 CG GLU A 30 12.110 7.187 0.558 1.00 0.00 C ATOM 451 CD GLU A 30 12.419 8.659 0.840 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.503 9.376 1.207 1.00 0.00 O ATOM 453 OE2 GLU A 30 13.566 9.044 0.683 1.00 0.00 O ATOM 0 H GLU A 30 10.766 6.266 -2.232 1.00 0.00 H new ATOM 0 HA GLU A 30 10.871 4.901 0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.338 7.740 -0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.020 7.260 1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.366 6.578 1.425 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.718 6.830 -0.273 1.00 0.00 H new ATOM 460 N THR A 31 8.349 4.953 0.971 1.00 0.00 N ATOM 461 CA THR A 31 6.891 4.652 1.108 1.00 0.00 C ATOM 462 C THR A 31 6.078 5.947 1.065 1.00 0.00 C ATOM 463 O THR A 31 6.567 6.993 0.688 1.00 0.00 O ATOM 464 CB THR A 31 6.651 3.955 2.449 1.00 0.00 C ATOM 465 OG1 THR A 31 7.349 4.657 3.459 1.00 0.00 O ATOM 466 CG2 THR A 31 7.152 2.512 2.371 1.00 0.00 C ATOM 0 H THR A 31 8.894 4.847 1.827 1.00 0.00 H new ATOM 0 HA THR A 31 6.579 4.008 0.286 1.00 0.00 H new ATOM 0 HB THR A 31 5.586 3.946 2.681 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.218 5.621 3.338 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.981 2.015 3.326 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.614 1.982 1.585 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.219 2.509 2.146 1.00 0.00 H new ATOM 474 N SER A 32 4.835 5.875 1.457 1.00 0.00 N ATOM 475 CA SER A 32 3.968 7.084 1.452 1.00 0.00 C ATOM 476 C SER A 32 4.186 7.879 2.738 1.00 0.00 C ATOM 477 O SER A 32 5.277 7.943 3.270 1.00 0.00 O ATOM 478 CB SER A 32 2.506 6.651 1.373 1.00 0.00 C ATOM 479 OG SER A 32 2.331 5.788 0.258 1.00 0.00 O ATOM 0 H SER A 32 4.381 5.022 1.783 1.00 0.00 H new ATOM 0 HA SER A 32 4.219 7.707 0.594 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.216 6.141 2.291 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.861 7.524 1.276 1.00 0.00 H new ATOM 0 HG SER A 32 1.569 6.095 -0.277 1.00 0.00 H new ATOM 485 N SER A 33 3.147 8.488 3.239 1.00 0.00 N ATOM 486 CA SER A 33 3.262 9.292 4.494 1.00 0.00 C ATOM 487 C SER A 33 1.993 9.104 5.318 1.00 0.00 C ATOM 488 O SER A 33 2.024 9.055 6.532 1.00 0.00 O ATOM 489 CB SER A 33 3.403 10.765 4.131 1.00 0.00 C ATOM 490 OG SER A 33 2.117 11.303 3.851 1.00 0.00 O ATOM 0 H SER A 33 2.213 8.464 2.830 1.00 0.00 H new ATOM 0 HA SER A 33 4.131 8.967 5.066 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.868 11.311 4.952 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.054 10.877 3.264 1.00 0.00 H new ATOM 0 HG SER A 33 2.203 12.251 3.619 1.00 0.00 H new ATOM 496 N LEU A 34 0.875 9.003 4.650 1.00 0.00 N ATOM 497 CA LEU A 34 -0.431 8.821 5.354 1.00 0.00 C ATOM 498 C LEU A 34 -0.271 7.850 6.524 1.00 0.00 C ATOM 499 O LEU A 34 -0.578 8.165 7.657 1.00 0.00 O ATOM 500 CB LEU A 34 -1.460 8.250 4.375 1.00 0.00 C ATOM 501 CG LEU A 34 -1.364 8.967 3.028 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.511 8.504 2.127 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.460 10.481 3.244 1.00 0.00 C ATOM 0 H LEU A 34 0.809 9.039 3.633 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.765 9.788 5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.290 7.182 4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.464 8.363 4.784 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.410 8.731 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.446 9.013 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.441 7.427 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.464 8.742 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.391 10.991 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.413 10.722 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.644 10.809 3.888 1.00 0.00 H new ATOM 515 N CYS A 35 0.204 6.669 6.252 1.00 0.00 N ATOM 516 CA CYS A 35 0.380 5.671 7.342 1.00 0.00 C ATOM 517 C CYS A 35 1.519 6.122 8.262 1.00 0.00 C ATOM 518 O CYS A 35 2.590 6.469 7.817 1.00 0.00 O ATOM 519 CB CYS A 35 0.701 4.300 6.734 1.00 0.00 C ATOM 520 SG CYS A 35 1.822 4.501 5.327 1.00 0.00 S ATOM 0 H CYS A 35 0.478 6.351 5.322 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.539 5.593 7.924 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.158 3.656 7.486 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.218 3.811 6.412 1.00 0.00 H new ATOM 525 N SER A 36 1.278 6.145 9.542 1.00 0.00 N ATOM 526 CA SER A 36 2.331 6.587 10.504 1.00 0.00 C ATOM 527 C SER A 36 3.509 5.599 10.532 1.00 0.00 C ATOM 528 O SER A 36 4.134 5.419 11.558 1.00 0.00 O ATOM 529 CB SER A 36 1.723 6.683 11.903 1.00 0.00 C ATOM 530 OG SER A 36 0.583 7.530 11.862 1.00 0.00 O ATOM 0 H SER A 36 0.392 5.875 9.968 1.00 0.00 H new ATOM 0 HA SER A 36 2.705 7.559 10.183 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.441 5.692 12.259 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.458 7.077 12.605 1.00 0.00 H new ATOM 0 HG SER A 36 0.189 7.592 12.757 1.00 0.00 H new ATOM 536 N GLN A 37 3.829 4.949 9.440 1.00 0.00 N ATOM 537 CA GLN A 37 4.975 3.984 9.474 1.00 0.00 C ATOM 538 C GLN A 37 5.606 3.826 8.081 1.00 0.00 C ATOM 539 O GLN A 37 5.555 2.756 7.512 1.00 0.00 O ATOM 540 CB GLN A 37 4.468 2.620 9.956 1.00 0.00 C ATOM 541 CG GLN A 37 3.175 2.258 9.220 1.00 0.00 C ATOM 542 CD GLN A 37 2.695 0.881 9.681 1.00 0.00 C ATOM 543 OE1 GLN A 37 3.462 0.105 10.215 1.00 0.00 O ATOM 544 NE2 GLN A 37 1.449 0.542 9.494 1.00 0.00 N ATOM 0 H GLN A 37 3.357 5.041 8.541 1.00 0.00 H new ATOM 0 HA GLN A 37 5.734 4.370 10.155 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.225 1.856 9.777 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.290 2.647 11.031 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.409 3.007 9.419 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.346 2.254 8.143 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.805 1.194 9.046 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.119 -0.375 9.796 1.00 0.00 H new ATOM 553 N PRO A 38 6.208 4.883 7.577 1.00 0.00 N ATOM 554 CA PRO A 38 6.873 4.835 6.260 1.00 0.00 C ATOM 555 C PRO A 38 8.107 3.924 6.353 1.00 0.00 C ATOM 556 O PRO A 38 8.401 3.361 7.389 1.00 0.00 O ATOM 557 CB PRO A 38 7.279 6.299 5.968 1.00 0.00 C ATOM 558 CG PRO A 38 6.984 7.129 7.252 1.00 0.00 C ATOM 559 CD PRO A 38 6.273 6.194 8.259 1.00 0.00 C ATOM 0 HA PRO A 38 6.237 4.436 5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.335 6.359 5.706 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.718 6.691 5.120 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.909 7.518 7.678 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.355 7.988 7.017 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.828 6.126 9.195 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.277 6.562 8.505 1.00 0.00 H new ATOM 567 N ALA A 39 8.823 3.785 5.279 1.00 0.00 N ATOM 568 CA ALA A 39 10.035 2.931 5.276 1.00 0.00 C ATOM 569 C ALA A 39 10.763 3.151 3.953 1.00 0.00 C ATOM 570 O ALA A 39 10.213 3.720 3.032 1.00 0.00 O ATOM 571 CB ALA A 39 9.630 1.461 5.402 1.00 0.00 C ATOM 0 H ALA A 39 8.616 4.235 4.387 1.00 0.00 H new ATOM 0 HA ALA A 39 10.683 3.189 6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.523 0.836 5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.086 1.312 6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.992 1.186 4.562 1.00 0.00 H new ATOM 577 N VAL A 40 11.979 2.693 3.835 1.00 0.00 N ATOM 578 CA VAL A 40 12.717 2.867 2.547 1.00 0.00 C ATOM 579 C VAL A 40 12.602 1.566 1.762 1.00 0.00 C ATOM 580 O VAL A 40 12.779 0.490 2.296 1.00 0.00 O ATOM 581 CB VAL A 40 14.192 3.184 2.822 1.00 0.00 C ATOM 582 CG1 VAL A 40 15.021 2.968 1.550 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.314 4.643 3.252 1.00 0.00 C ATOM 0 H VAL A 40 12.494 2.208 4.570 1.00 0.00 H new ATOM 0 HA VAL A 40 12.292 3.694 1.978 1.00 0.00 H new ATOM 0 HB VAL A 40 14.561 2.526 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 40 16.067 3.195 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.931 1.930 1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.654 3.625 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.360 4.878 3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.941 5.289 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.728 4.806 4.157 1.00 0.00 H new ATOM 593 N VAL A 41 12.297 1.666 0.497 1.00 0.00 N ATOM 594 CA VAL A 41 12.150 0.444 -0.353 1.00 0.00 C ATOM 595 C VAL A 41 13.302 0.376 -1.359 1.00 0.00 C ATOM 596 O VAL A 41 13.497 1.271 -2.150 1.00 0.00 O ATOM 597 CB VAL A 41 10.807 0.503 -1.093 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.410 -0.897 -1.555 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.731 1.040 -0.145 1.00 0.00 C ATOM 0 H VAL A 41 12.142 2.548 0.009 1.00 0.00 H new ATOM 0 HA VAL A 41 12.177 -0.447 0.274 1.00 0.00 H new ATOM 0 HB VAL A 41 10.902 1.158 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.456 -0.850 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.174 -1.289 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.316 -1.553 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.775 1.084 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.644 0.380 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.007 2.040 0.190 1.00 0.00 H new ATOM 609 N PHE A 42 14.079 -0.676 -1.333 1.00 0.00 N ATOM 610 CA PHE A 42 15.226 -0.781 -2.290 1.00 0.00 C ATOM 611 C PHE A 42 14.788 -1.502 -3.567 1.00 0.00 C ATOM 612 O PHE A 42 14.107 -2.508 -3.529 1.00 0.00 O ATOM 613 CB PHE A 42 16.369 -1.574 -1.642 1.00 0.00 C ATOM 614 CG PHE A 42 17.107 -0.707 -0.646 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.806 0.436 -1.087 1.00 0.00 C ATOM 616 CD2 PHE A 42 17.106 -1.046 0.721 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.499 1.237 -0.160 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.801 -0.246 1.645 1.00 0.00 C ATOM 619 CZ PHE A 42 18.498 0.897 1.206 1.00 0.00 C ATOM 0 H PHE A 42 13.972 -1.464 -0.695 1.00 0.00 H new ATOM 0 HA PHE A 42 15.563 0.225 -2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.971 -2.457 -1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.058 -1.926 -2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.809 0.696 -2.135 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.571 -1.921 1.060 1.00 0.00 H new ATOM 0 HE1 PHE A 42 19.032 2.114 -0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.801 -0.508 2.693 1.00 0.00 H new ATOM 0 HZ PHE A 42 19.031 1.512 1.917 1.00 0.00 H new ATOM 629 N GLN A 43 15.211 -1.007 -4.701 1.00 0.00 N ATOM 630 CA GLN A 43 14.870 -1.661 -5.998 1.00 0.00 C ATOM 631 C GLN A 43 16.078 -2.509 -6.411 1.00 0.00 C ATOM 632 O GLN A 43 17.181 -2.002 -6.513 1.00 0.00 O ATOM 633 CB GLN A 43 14.595 -0.580 -7.046 1.00 0.00 C ATOM 634 CG GLN A 43 13.318 0.176 -6.676 1.00 0.00 C ATOM 635 CD GLN A 43 13.161 1.392 -7.591 1.00 0.00 C ATOM 636 OE1 GLN A 43 13.451 2.504 -7.196 1.00 0.00 O ATOM 637 NE2 GLN A 43 12.711 1.227 -8.804 1.00 0.00 N ATOM 0 H GLN A 43 15.785 -0.168 -4.784 1.00 0.00 H new ATOM 0 HA GLN A 43 13.983 -2.288 -5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.436 0.111 -7.101 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.490 -1.033 -8.032 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.453 -0.480 -6.774 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.360 0.494 -5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.468 0.293 -9.135 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.602 2.032 -9.422 1.00 0.00 H new ATOM 646 N THR A 44 15.905 -3.802 -6.604 1.00 0.00 N ATOM 647 CA THR A 44 17.089 -4.665 -6.951 1.00 0.00 C ATOM 648 C THR A 44 17.185 -4.923 -8.454 1.00 0.00 C ATOM 649 O THR A 44 16.584 -4.245 -9.263 1.00 0.00 O ATOM 650 CB THR A 44 16.963 -6.008 -6.236 1.00 0.00 C ATOM 651 OG1 THR A 44 16.105 -6.855 -6.983 1.00 0.00 O ATOM 652 CG2 THR A 44 16.379 -5.788 -4.839 1.00 0.00 C ATOM 0 H THR A 44 15.012 -4.290 -6.538 1.00 0.00 H new ATOM 0 HA THR A 44 17.987 -4.135 -6.634 1.00 0.00 H new ATOM 0 HB THR A 44 17.946 -6.471 -6.147 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.378 -7.788 -6.859 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.289 -6.746 -4.327 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.037 -5.133 -4.268 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.395 -5.328 -4.924 1.00 0.00 H new ATOM 660 N LYS A 45 17.965 -5.913 -8.821 1.00 0.00 N ATOM 661 CA LYS A 45 18.154 -6.261 -10.262 1.00 0.00 C ATOM 662 C LYS A 45 17.383 -7.545 -10.592 1.00 0.00 C ATOM 663 O LYS A 45 17.126 -7.838 -11.743 1.00 0.00 O ATOM 664 CB LYS A 45 19.646 -6.504 -10.533 1.00 0.00 C ATOM 665 CG LYS A 45 20.494 -5.413 -9.872 1.00 0.00 C ATOM 666 CD LYS A 45 21.977 -5.720 -10.107 1.00 0.00 C ATOM 667 CE LYS A 45 22.828 -4.508 -9.722 1.00 0.00 C ATOM 668 NZ LYS A 45 24.244 -4.936 -9.540 1.00 0.00 N ATOM 0 H LYS A 45 18.485 -6.502 -8.171 1.00 0.00 H new ATOM 0 HA LYS A 45 17.786 -5.441 -10.878 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.937 -7.482 -10.150 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.830 -6.515 -11.607 1.00 0.00 H new ATOM 0 HG2 LYS A 45 20.242 -4.437 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 45 20.284 -5.369 -8.803 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.276 -6.587 -9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 45 22.143 -5.974 -11.154 1.00 0.00 H new ATOM 0 HE2 LYS A 45 22.764 -3.744 -10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 45 22.450 -4.062 -8.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 24.774 -4.184 -9.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 24.273 -5.804 -8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.674 -5.119 -10.469 1.00 0.00 H new ATOM 682 N ARG A 46 17.025 -8.321 -9.593 1.00 0.00 N ATOM 683 CA ARG A 46 16.284 -9.601 -9.849 1.00 0.00 C ATOM 684 C ARG A 46 15.096 -9.694 -8.886 1.00 0.00 C ATOM 685 O ARG A 46 14.912 -10.670 -8.192 1.00 0.00 O ATOM 686 CB ARG A 46 17.243 -10.790 -9.631 1.00 0.00 C ATOM 687 CG ARG A 46 16.745 -12.060 -10.364 1.00 0.00 C ATOM 688 CD ARG A 46 15.687 -12.815 -9.538 1.00 0.00 C ATOM 689 NE ARG A 46 15.740 -14.273 -9.879 1.00 0.00 N ATOM 690 CZ ARG A 46 15.697 -14.684 -11.120 1.00 0.00 C ATOM 691 NH1 ARG A 46 15.390 -13.858 -12.082 1.00 0.00 N ATOM 692 NH2 ARG A 46 15.902 -15.944 -11.391 1.00 0.00 N ATOM 0 H ARG A 46 17.214 -8.123 -8.611 1.00 0.00 H new ATOM 0 HA ARG A 46 15.914 -9.624 -10.874 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.238 -10.527 -9.990 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.333 -10.996 -8.564 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.322 -11.781 -11.329 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.589 -12.720 -10.564 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.870 -12.672 -8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.694 -12.417 -9.747 1.00 0.00 H new ATOM 0 HE ARG A 46 15.811 -14.959 -9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.181 -12.883 -11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.359 -14.188 -13.047 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.095 -16.603 -10.637 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.870 -16.270 -12.357 1.00 0.00 H new ATOM 706 N SER A 47 14.281 -8.682 -8.849 1.00 0.00 N ATOM 707 CA SER A 47 13.098 -8.702 -7.958 1.00 0.00 C ATOM 708 C SER A 47 12.200 -7.531 -8.337 1.00 0.00 C ATOM 709 O SER A 47 11.741 -7.422 -9.457 1.00 0.00 O ATOM 710 CB SER A 47 13.534 -8.592 -6.490 1.00 0.00 C ATOM 711 OG SER A 47 13.975 -7.270 -6.219 1.00 0.00 O ATOM 0 H SER A 47 14.387 -7.833 -9.405 1.00 0.00 H new ATOM 0 HA SER A 47 12.556 -9.640 -8.074 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.703 -8.850 -5.834 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.335 -9.302 -6.284 1.00 0.00 H new ATOM 0 HG SER A 47 14.872 -7.141 -6.592 1.00 0.00 H new ATOM 717 N LYS A 48 11.966 -6.649 -7.424 1.00 0.00 N ATOM 718 CA LYS A 48 11.122 -5.466 -7.710 1.00 0.00 C ATOM 719 C LYS A 48 11.478 -4.402 -6.687 1.00 0.00 C ATOM 720 O LYS A 48 12.405 -3.637 -6.863 1.00 0.00 O ATOM 721 CB LYS A 48 9.639 -5.832 -7.575 1.00 0.00 C ATOM 722 CG LYS A 48 9.226 -6.769 -8.714 1.00 0.00 C ATOM 723 CD LYS A 48 7.699 -6.825 -8.802 1.00 0.00 C ATOM 724 CE LYS A 48 7.286 -7.850 -9.860 1.00 0.00 C ATOM 725 NZ LYS A 48 7.877 -9.176 -9.525 1.00 0.00 N ATOM 0 H LYS A 48 12.329 -6.695 -6.472 1.00 0.00 H new ATOM 0 HA LYS A 48 11.295 -5.108 -8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.461 -6.314 -6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.029 -4.929 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.642 -6.417 -9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.628 -7.767 -8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.278 -7.096 -7.834 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.303 -5.842 -9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.199 -7.925 -9.904 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.624 -7.528 -10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.339 -9.927 -10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.867 -9.205 -9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.838 -9.323 -8.496 1.00 0.00 H new ATOM 739 N GLN A 49 10.759 -4.384 -5.597 1.00 0.00 N ATOM 740 CA GLN A 49 11.031 -3.407 -4.506 1.00 0.00 C ATOM 741 C GLN A 49 11.084 -4.190 -3.184 1.00 0.00 C ATOM 742 O GLN A 49 10.365 -5.159 -2.999 1.00 0.00 O ATOM 743 CB GLN A 49 9.909 -2.341 -4.471 1.00 0.00 C ATOM 744 CG GLN A 49 9.186 -2.298 -5.822 1.00 0.00 C ATOM 745 CD GLN A 49 8.185 -1.142 -5.829 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.454 -0.949 -4.877 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.119 -0.358 -6.870 1.00 0.00 N ATOM 0 H GLN A 49 9.981 -5.017 -5.415 1.00 0.00 H new ATOM 0 HA GLN A 49 11.977 -2.891 -4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.200 -2.573 -3.677 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.332 -1.363 -4.244 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.908 -2.173 -6.629 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.670 -3.241 -6.000 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.732 -0.519 -7.669 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.455 0.416 -6.884 1.00 0.00 H new ATOM 756 N VAL A 50 11.939 -3.798 -2.274 1.00 0.00 N ATOM 757 CA VAL A 50 12.051 -4.529 -0.970 1.00 0.00 C ATOM 758 C VAL A 50 12.041 -3.513 0.164 1.00 0.00 C ATOM 759 O VAL A 50 12.807 -2.578 0.170 1.00 0.00 O ATOM 760 CB VAL A 50 13.368 -5.324 -0.947 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.267 -6.460 0.078 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.644 -5.896 -2.346 1.00 0.00 C ATOM 0 H VAL A 50 12.567 -3.001 -2.376 1.00 0.00 H new ATOM 0 HA VAL A 50 11.215 -5.218 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 50 14.188 -4.665 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.201 -7.021 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.080 -6.042 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.448 -7.125 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.577 -6.460 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.826 -6.555 -2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.725 -5.079 -3.064 1.00 0.00 H new ATOM 772 N CYS A 51 11.178 -3.693 1.123 1.00 0.00 N ATOM 773 CA CYS A 51 11.104 -2.726 2.253 1.00 0.00 C ATOM 774 C CYS A 51 12.328 -2.886 3.153 1.00 0.00 C ATOM 775 O CYS A 51 12.901 -3.953 3.260 1.00 0.00 O ATOM 776 CB CYS A 51 9.834 -2.997 3.060 1.00 0.00 C ATOM 777 SG CYS A 51 8.382 -2.747 2.007 1.00 0.00 S ATOM 0 H CYS A 51 10.519 -4.470 1.174 1.00 0.00 H new ATOM 0 HA CYS A 51 11.082 -1.709 1.862 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.846 -4.017 3.445 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.790 -2.332 3.922 1.00 0.00 H new ATOM 782 N ALA A 52 12.742 -1.821 3.793 1.00 0.00 N ATOM 783 CA ALA A 52 13.941 -1.889 4.681 1.00 0.00 C ATOM 784 C ALA A 52 13.729 -0.989 5.902 1.00 0.00 C ATOM 785 O ALA A 52 13.266 0.131 5.789 1.00 0.00 O ATOM 786 CB ALA A 52 15.166 -1.399 3.908 1.00 0.00 C ATOM 0 H ALA A 52 12.299 -0.904 3.738 1.00 0.00 H new ATOM 0 HA ALA A 52 14.092 -2.918 5.008 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.045 -1.446 4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.322 -2.031 3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.006 -0.370 3.587 1.00 0.00 H new ATOM 792 N ASP A 53 14.069 -1.471 7.067 1.00 0.00 N ATOM 793 CA ASP A 53 13.894 -0.651 8.300 1.00 0.00 C ATOM 794 C ASP A 53 14.905 0.524 8.284 1.00 0.00 C ATOM 795 O ASP A 53 16.094 0.274 8.299 1.00 0.00 O ATOM 796 CB ASP A 53 14.180 -1.530 9.521 1.00 0.00 C ATOM 797 CG ASP A 53 15.468 -2.322 9.289 1.00 0.00 C ATOM 798 OD1 ASP A 53 16.090 -2.117 8.259 1.00 0.00 O ATOM 799 OD2 ASP A 53 15.811 -3.121 10.145 1.00 0.00 O ATOM 0 H ASP A 53 14.462 -2.400 7.218 1.00 0.00 H new ATOM 0 HA ASP A 53 12.877 -0.262 8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.277 -0.911 10.413 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.347 -2.212 9.695 1.00 0.00 H new ATOM 804 N PRO A 54 14.447 1.771 8.255 1.00 0.00 N ATOM 805 CA PRO A 54 15.382 2.918 8.240 1.00 0.00 C ATOM 806 C PRO A 54 16.237 2.922 9.517 1.00 0.00 C ATOM 807 O PRO A 54 17.153 3.707 9.660 1.00 0.00 O ATOM 808 CB PRO A 54 14.481 4.174 8.176 1.00 0.00 C ATOM 809 CG PRO A 54 13.003 3.693 8.173 1.00 0.00 C ATOM 810 CD PRO A 54 13.013 2.149 8.232 1.00 0.00 C ATOM 0 HA PRO A 54 16.074 2.877 7.399 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.670 4.825 9.030 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.697 4.754 7.279 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.465 4.105 9.026 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.490 4.038 7.275 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.495 1.785 9.120 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.506 1.718 7.369 1.00 0.00 H new ATOM 818 N SER A 55 15.930 2.066 10.449 1.00 0.00 N ATOM 819 CA SER A 55 16.709 2.035 11.720 1.00 0.00 C ATOM 820 C SER A 55 18.056 1.343 11.497 1.00 0.00 C ATOM 821 O SER A 55 18.980 1.509 12.268 1.00 0.00 O ATOM 822 CB SER A 55 15.916 1.271 12.781 1.00 0.00 C ATOM 823 OG SER A 55 16.788 0.898 13.840 1.00 0.00 O ATOM 0 H SER A 55 15.173 1.385 10.387 1.00 0.00 H new ATOM 0 HA SER A 55 16.886 3.057 12.054 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.106 1.892 13.163 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.459 0.385 12.342 1.00 0.00 H new ATOM 0 HG SER A 55 16.283 0.409 14.523 1.00 0.00 H new ATOM 829 N GLU A 56 18.183 0.571 10.452 1.00 0.00 N ATOM 830 CA GLU A 56 19.480 -0.120 10.194 1.00 0.00 C ATOM 831 C GLU A 56 20.445 0.857 9.511 1.00 0.00 C ATOM 832 O GLU A 56 20.179 1.378 8.446 1.00 0.00 O ATOM 833 CB GLU A 56 19.242 -1.336 9.298 1.00 0.00 C ATOM 834 CG GLU A 56 18.710 -2.502 10.137 1.00 0.00 C ATOM 835 CD GLU A 56 18.244 -3.627 9.210 1.00 0.00 C ATOM 836 OE1 GLU A 56 18.114 -3.375 8.023 1.00 0.00 O ATOM 837 OE2 GLU A 56 18.026 -4.722 9.702 1.00 0.00 O ATOM 0 H GLU A 56 17.449 0.389 9.768 1.00 0.00 H new ATOM 0 HA GLU A 56 19.914 -0.455 11.136 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.529 -1.086 8.512 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.171 -1.624 8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.489 -2.867 10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.883 -2.166 10.763 1.00 0.00 H new ATOM 844 N SER A 57 21.554 1.118 10.140 1.00 0.00 N ATOM 845 CA SER A 57 22.552 2.071 9.577 1.00 0.00 C ATOM 846 C SER A 57 22.877 1.755 8.112 1.00 0.00 C ATOM 847 O SER A 57 23.027 2.650 7.303 1.00 0.00 O ATOM 848 CB SER A 57 23.838 1.993 10.401 1.00 0.00 C ATOM 849 OG SER A 57 23.556 2.363 11.745 1.00 0.00 O ATOM 0 H SER A 57 21.817 0.705 11.035 1.00 0.00 H new ATOM 0 HA SER A 57 22.124 3.072 9.620 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.245 0.982 10.367 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.594 2.655 9.980 1.00 0.00 H new ATOM 0 HG SER A 57 24.377 2.313 12.277 1.00 0.00 H new ATOM 855 N TRP A 58 23.014 0.507 7.758 1.00 0.00 N ATOM 856 CA TRP A 58 23.360 0.189 6.343 1.00 0.00 C ATOM 857 C TRP A 58 22.275 0.726 5.412 1.00 0.00 C ATOM 858 O TRP A 58 22.530 1.057 4.273 1.00 0.00 O ATOM 859 CB TRP A 58 23.561 -1.325 6.160 1.00 0.00 C ATOM 860 CG TRP A 58 22.255 -2.049 6.056 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.692 -2.771 7.052 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.362 -2.166 4.909 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.510 -3.322 6.593 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.256 -2.977 5.284 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.396 -1.651 3.592 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.221 -3.268 4.386 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.355 -1.943 2.683 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.269 -2.750 3.082 1.00 0.00 C ATOM 0 H TRP A 58 22.903 -0.296 8.377 1.00 0.00 H new ATOM 0 HA TRP A 58 24.301 0.675 6.087 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.151 -1.508 5.262 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.130 -1.721 7.001 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.100 -2.897 8.044 1.00 0.00 H new ATOM 0 HE1 TRP A 58 19.899 -3.913 7.156 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.223 -1.031 3.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.391 -3.887 4.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.391 -1.547 1.679 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.474 -2.969 2.384 1.00 0.00 H new ATOM 879 N VAL A 59 21.070 0.841 5.890 1.00 0.00 N ATOM 880 CA VAL A 59 19.986 1.379 5.027 1.00 0.00 C ATOM 881 C VAL A 59 20.240 2.864 4.793 1.00 0.00 C ATOM 882 O VAL A 59 20.183 3.348 3.682 1.00 0.00 O ATOM 883 CB VAL A 59 18.641 1.183 5.722 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.519 1.777 4.864 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.409 -0.315 5.918 1.00 0.00 C ATOM 0 H VAL A 59 20.789 0.587 6.837 1.00 0.00 H new ATOM 0 HA VAL A 59 19.970 0.855 4.071 1.00 0.00 H new ATOM 0 HB VAL A 59 18.644 1.688 6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.562 1.634 5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.697 2.843 4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.499 1.278 3.895 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.451 -0.473 6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.402 -0.812 4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.208 -0.730 6.532 1.00 0.00 H new ATOM 895 N GLN A 60 20.530 3.588 5.835 1.00 0.00 N ATOM 896 CA GLN A 60 20.800 5.045 5.671 1.00 0.00 C ATOM 897 C GLN A 60 22.059 5.236 4.819 1.00 0.00 C ATOM 898 O GLN A 60 22.151 6.150 4.025 1.00 0.00 O ATOM 899 CB GLN A 60 21.012 5.683 7.046 1.00 0.00 C ATOM 900 CG GLN A 60 21.110 7.203 6.894 1.00 0.00 C ATOM 901 CD GLN A 60 21.326 7.841 8.267 1.00 0.00 C ATOM 902 OE1 GLN A 60 22.445 7.965 8.723 1.00 0.00 O ATOM 903 NE2 GLN A 60 20.293 8.255 8.950 1.00 0.00 N ATOM 0 H GLN A 60 20.592 3.238 6.791 1.00 0.00 H new ATOM 0 HA GLN A 60 19.951 5.520 5.178 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.186 5.426 7.709 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.921 5.293 7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.934 7.460 6.228 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.199 7.593 6.439 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.353 8.151 8.567 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.426 8.683 9.866 1.00 0.00 H new ATOM 912 N GLU A 61 23.030 4.379 4.984 1.00 0.00 N ATOM 913 CA GLU A 61 24.289 4.506 4.192 1.00 0.00 C ATOM 914 C GLU A 61 23.999 4.284 2.705 1.00 0.00 C ATOM 915 O GLU A 61 24.427 5.042 1.859 1.00 0.00 O ATOM 916 CB GLU A 61 25.299 3.463 4.674 1.00 0.00 C ATOM 917 CG GLU A 61 26.647 3.703 3.991 1.00 0.00 C ATOM 918 CD GLU A 61 27.655 2.656 4.466 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.227 1.667 5.039 1.00 0.00 O ATOM 920 OE2 GLU A 61 28.838 2.860 4.252 1.00 0.00 O ATOM 0 H GLU A 61 23.006 3.594 5.635 1.00 0.00 H new ATOM 0 HA GLU A 61 24.698 5.507 4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.412 3.524 5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 61 24.938 2.460 4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.533 3.648 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 61 27.011 4.704 4.223 1.00 0.00 H new ATOM 927 N TYR A 62 23.280 3.246 2.382 1.00 0.00 N ATOM 928 CA TYR A 62 22.966 2.969 0.949 1.00 0.00 C ATOM 929 C TYR A 62 22.154 4.130 0.371 1.00 0.00 C ATOM 930 O TYR A 62 22.302 4.489 -0.781 1.00 0.00 O ATOM 931 CB TYR A 62 22.158 1.663 0.839 1.00 0.00 C ATOM 932 CG TYR A 62 23.085 0.457 0.861 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.075 0.328 1.858 1.00 0.00 C ATOM 934 CD2 TYR A 62 22.952 -0.542 -0.126 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.925 -0.796 1.864 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.802 -1.663 -0.117 1.00 0.00 C ATOM 937 CZ TYR A 62 24.788 -1.790 0.878 1.00 0.00 C ATOM 938 OH TYR A 62 25.622 -2.888 0.885 1.00 0.00 O ATOM 0 H TYR A 62 22.895 2.576 3.047 1.00 0.00 H new ATOM 0 HA TYR A 62 23.895 2.863 0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.448 1.598 1.663 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.577 1.665 -0.083 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.181 1.090 2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.195 -0.446 -0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.683 -0.894 2.627 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.697 -2.426 -0.874 1.00 0.00 H new ATOM 0 HH TYR A 62 25.392 -3.478 0.137 1.00 0.00 H new ATOM 948 N VAL A 63 21.307 4.729 1.159 1.00 0.00 N ATOM 949 CA VAL A 63 20.504 5.869 0.652 1.00 0.00 C ATOM 950 C VAL A 63 21.453 7.015 0.338 1.00 0.00 C ATOM 951 O VAL A 63 21.334 7.683 -0.668 1.00 0.00 O ATOM 952 CB VAL A 63 19.502 6.302 1.723 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.828 7.613 1.307 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.438 5.215 1.891 1.00 0.00 C ATOM 0 H VAL A 63 21.138 4.476 2.133 1.00 0.00 H new ATOM 0 HA VAL A 63 19.956 5.581 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 63 20.027 6.452 2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 63 18.116 7.915 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.584 8.389 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.304 7.469 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.722 5.521 2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.918 5.066 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.915 4.283 2.194 1.00 0.00 H new ATOM 964 N TYR A 64 22.403 7.238 1.197 1.00 0.00 N ATOM 965 CA TYR A 64 23.373 8.333 0.964 1.00 0.00 C ATOM 966 C TYR A 64 24.179 8.030 -0.297 1.00 0.00 C ATOM 967 O TYR A 64 24.396 8.882 -1.133 1.00 0.00 O ATOM 968 CB TYR A 64 24.318 8.437 2.165 1.00 0.00 C ATOM 969 CG TYR A 64 25.008 9.782 2.161 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.273 10.950 2.445 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.385 9.871 1.873 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.914 12.204 2.442 1.00 0.00 C ATOM 973 CE2 TYR A 64 27.025 11.125 1.871 1.00 0.00 C ATOM 974 CZ TYR A 64 26.289 12.291 2.155 1.00 0.00 C ATOM 975 OH TYR A 64 26.917 13.521 2.152 1.00 0.00 O ATOM 0 H TYR A 64 22.549 6.705 2.054 1.00 0.00 H new ATOM 0 HA TYR A 64 22.842 9.276 0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.758 8.308 3.091 1.00 0.00 H new ATOM 0 HB3 TYR A 64 25.059 7.638 2.126 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.218 10.884 2.665 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.949 8.977 1.654 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.350 13.099 2.660 1.00 0.00 H new ATOM 0 HE2 TYR A 64 28.080 11.192 1.652 1.00 0.00 H new ATOM 0 HH TYR A 64 27.866 13.403 1.936 1.00 0.00 H new ATOM 985 N ASP A 65 24.622 6.815 -0.431 1.00 0.00 N ATOM 986 CA ASP A 65 25.422 6.433 -1.629 1.00 0.00 C ATOM 987 C ASP A 65 24.578 6.628 -2.890 1.00 0.00 C ATOM 988 O ASP A 65 25.080 6.991 -3.936 1.00 0.00 O ATOM 989 CB ASP A 65 25.832 4.962 -1.507 1.00 0.00 C ATOM 990 CG ASP A 65 27.029 4.834 -0.559 1.00 0.00 C ATOM 991 OD1 ASP A 65 26.812 4.834 0.642 1.00 0.00 O ATOM 992 OD2 ASP A 65 28.141 4.740 -1.051 1.00 0.00 O ATOM 0 H ASP A 65 24.465 6.063 0.241 1.00 0.00 H new ATOM 0 HA ASP A 65 26.312 7.058 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.996 4.372 -1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 65 26.090 4.564 -2.489 1.00 0.00 H new ATOM 997 N LEU A 66 23.303 6.392 -2.798 1.00 0.00 N ATOM 998 CA LEU A 66 22.418 6.560 -3.983 1.00 0.00 C ATOM 999 C LEU A 66 22.253 8.053 -4.289 1.00 0.00 C ATOM 1000 O LEU A 66 22.074 8.449 -5.423 1.00 0.00 O ATOM 1001 CB LEU A 66 21.053 5.934 -3.670 1.00 0.00 C ATOM 1002 CG LEU A 66 21.109 4.404 -3.868 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.990 3.737 -3.063 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.916 4.051 -5.353 1.00 0.00 C ATOM 0 H LEU A 66 22.831 6.087 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 66 22.855 6.068 -4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.766 6.165 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 66 20.290 6.364 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 66 22.082 4.049 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 66 20.033 2.657 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 66 20.115 3.969 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 66 19.024 4.110 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.958 2.969 -5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.947 4.418 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.706 4.515 -5.943 1.00 0.00 H new ATOM 1016 N GLU A 67 22.321 8.880 -3.285 1.00 0.00 N ATOM 1017 CA GLU A 67 22.177 10.346 -3.516 1.00 0.00 C ATOM 1018 C GLU A 67 23.443 10.874 -4.186 1.00 0.00 C ATOM 1019 O GLU A 67 23.412 11.822 -4.944 1.00 0.00 O ATOM 1020 CB GLU A 67 21.983 11.053 -2.176 1.00 0.00 C ATOM 1021 CG GLU A 67 20.592 10.734 -1.640 1.00 0.00 C ATOM 1022 CD GLU A 67 20.414 11.367 -0.259 1.00 0.00 C ATOM 1023 OE1 GLU A 67 21.380 11.914 0.249 1.00 0.00 O ATOM 1024 OE2 GLU A 67 19.316 11.296 0.267 1.00 0.00 O ATOM 0 H GLU A 67 22.470 8.606 -2.314 1.00 0.00 H new ATOM 0 HA GLU A 67 21.315 10.534 -4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.743 10.728 -1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 67 22.101 12.130 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.833 11.112 -2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.455 9.655 -1.576 1.00 0.00 H new ATOM 1116 N SER B 5 10.532 -10.192 -3.990 1.00 0.00 N ATOM 1117 CA SER B 5 11.292 -9.942 -2.736 1.00 0.00 C ATOM 1118 C SER B 5 10.321 -9.545 -1.611 1.00 0.00 C ATOM 1119 O SER B 5 9.732 -10.393 -0.970 1.00 0.00 O ATOM 1120 CB SER B 5 12.292 -8.824 -2.998 1.00 0.00 C ATOM 1121 OG SER B 5 13.441 -9.366 -3.637 1.00 0.00 O ATOM 0 HA SER B 5 11.822 -10.842 -2.426 1.00 0.00 H new ATOM 0 HB2 SER B 5 11.841 -8.055 -3.625 1.00 0.00 H new ATOM 0 HB3 SER B 5 12.574 -8.345 -2.060 1.00 0.00 H new ATOM 0 HG SER B 5 14.088 -8.650 -3.810 1.00 0.00 H new ATOM 1127 N ASP B 6 10.139 -8.267 -1.364 1.00 0.00 N ATOM 1128 CA ASP B 6 9.195 -7.847 -0.277 1.00 0.00 C ATOM 1129 C ASP B 6 8.708 -6.413 -0.536 1.00 0.00 C ATOM 1130 O ASP B 6 9.053 -5.512 0.200 1.00 0.00 O ATOM 1131 CB ASP B 6 9.903 -7.897 1.087 1.00 0.00 C ATOM 1132 CG ASP B 6 10.739 -9.174 1.193 1.00 0.00 C ATOM 1133 OD1 ASP B 6 11.775 -9.236 0.551 1.00 0.00 O ATOM 1134 OD2 ASP B 6 10.330 -10.069 1.914 1.00 0.00 O ATOM 0 H ASP B 6 10.598 -7.504 -1.862 1.00 0.00 H new ATOM 0 HA ASP B 6 8.345 -8.530 -0.270 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.542 -7.022 1.207 1.00 0.00 H new ATOM 0 HB3 ASP B 6 9.167 -7.866 1.890 1.00 0.00 H new ATOM 1139 N PRO B 7 7.918 -6.233 -1.574 1.00 0.00 N ATOM 1140 CA PRO B 7 7.393 -4.897 -1.914 1.00 0.00 C ATOM 1141 C PRO B 7 6.457 -4.406 -0.787 1.00 0.00 C ATOM 1142 O PRO B 7 6.099 -5.175 0.081 1.00 0.00 O ATOM 1143 CB PRO B 7 6.626 -5.101 -3.245 1.00 0.00 C ATOM 1144 CG PRO B 7 6.697 -6.616 -3.600 1.00 0.00 C ATOM 1145 CD PRO B 7 7.494 -7.321 -2.482 1.00 0.00 C ATOM 0 HA PRO B 7 8.173 -4.143 -2.020 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.590 -4.779 -3.143 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.070 -4.500 -4.039 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.695 -7.038 -3.680 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.182 -6.761 -4.565 1.00 0.00 H new ATOM 0 HD2 PRO B 7 6.879 -8.054 -1.960 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.353 -7.856 -2.886 1.00 0.00 H new ATOM 1153 N PRO B 8 6.079 -3.142 -0.833 1.00 0.00 N ATOM 1154 CA PRO B 8 5.180 -2.566 0.189 1.00 0.00 C ATOM 1155 C PRO B 8 3.827 -3.295 0.167 1.00 0.00 C ATOM 1156 O PRO B 8 3.719 -4.409 -0.306 1.00 0.00 O ATOM 1157 CB PRO B 8 5.024 -1.078 -0.211 1.00 0.00 C ATOM 1158 CG PRO B 8 5.769 -0.878 -1.563 1.00 0.00 C ATOM 1159 CD PRO B 8 6.510 -2.195 -1.885 1.00 0.00 C ATOM 0 HA PRO B 8 5.571 -2.668 1.201 1.00 0.00 H new ATOM 0 HB2 PRO B 8 3.971 -0.816 -0.311 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.443 -0.428 0.558 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.064 -0.631 -2.356 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.473 -0.049 -1.494 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.250 -2.562 -2.878 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.591 -2.054 -1.871 1.00 0.00 H new ATOM 1167 N THR B 9 2.796 -2.670 0.676 1.00 0.00 N ATOM 1168 CA THR B 9 1.453 -3.322 0.686 1.00 0.00 C ATOM 1169 C THR B 9 0.363 -2.251 0.683 1.00 0.00 C ATOM 1170 O THR B 9 0.360 -1.347 1.494 1.00 0.00 O ATOM 1171 CB THR B 9 1.313 -4.182 1.941 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.467 -4.996 2.088 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.071 -5.067 1.821 1.00 0.00 C ATOM 0 H THR B 9 2.827 -1.736 1.085 1.00 0.00 H new ATOM 0 HA THR B 9 1.350 -3.948 -0.200 1.00 0.00 H new ATOM 0 HB THR B 9 1.212 -3.537 2.814 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.439 -5.449 2.957 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.027 -5.680 2.717 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.814 -4.440 1.712 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.168 -5.713 0.949 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.563 -2.352 -0.228 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.660 -1.350 -0.297 1.00 0.00 C ATOM 1183 C ALA B 10 -2.575 -1.499 0.919 1.00 0.00 C ATOM 1184 O ALA B 10 -3.630 -2.097 0.840 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.469 -1.583 -1.571 1.00 0.00 C ATOM 0 H ALA B 10 -0.607 -3.090 -0.931 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.235 -0.346 -0.305 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.275 -0.852 -1.629 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.819 -1.476 -2.439 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.891 -2.588 -1.555 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.182 -0.951 2.040 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.023 -1.042 3.275 1.00 0.00 C ATOM 1193 C CYS B 11 -3.611 0.338 3.573 1.00 0.00 C ATOM 1194 O CYS B 11 -2.927 1.340 3.508 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.153 -1.491 4.452 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.295 -3.026 4.020 1.00 0.00 S ATOM 0 H CYS B 11 -1.307 -0.440 2.155 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.826 -1.764 3.126 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.429 -0.715 4.699 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.771 -1.644 5.337 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.876 0.404 3.889 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.499 1.725 4.181 1.00 0.00 C ATOM 1203 C CYS B 12 -4.967 2.256 5.513 1.00 0.00 C ATOM 1204 O CYS B 12 -4.717 1.506 6.436 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.021 1.569 4.269 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.679 1.119 2.644 1.00 0.00 S ATOM 0 H CYS B 12 -5.503 -0.398 3.957 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.251 2.424 3.383 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.277 0.803 5.001 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.473 2.500 4.611 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.798 3.550 5.620 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.287 4.151 6.890 1.00 0.00 C ATOM 1213 C PHE B 13 -5.461 4.785 7.639 1.00 0.00 C ATOM 1214 O PHE B 13 -5.391 5.053 8.822 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.254 5.232 6.561 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.924 6.346 5.795 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.215 6.185 4.428 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.264 7.547 6.450 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.843 7.222 3.714 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.893 8.584 5.737 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.183 8.422 4.369 1.00 0.00 C ATOM 0 H PHE B 13 -4.994 4.221 4.877 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.822 3.381 7.506 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.813 5.621 7.479 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.442 4.807 5.971 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.956 5.264 3.926 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.042 7.671 7.500 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.064 7.098 2.664 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.153 9.504 6.239 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.666 9.218 3.822 1.00 0.00 H new ATOM 1231 N SER B 14 -6.542 5.023 6.947 1.00 0.00 N ATOM 1232 CA SER B 14 -7.734 5.635 7.595 1.00 0.00 C ATOM 1233 C SER B 14 -8.976 5.283 6.774 1.00 0.00 C ATOM 1234 O SER B 14 -9.031 4.255 6.132 1.00 0.00 O ATOM 1235 CB SER B 14 -7.566 7.155 7.642 1.00 0.00 C ATOM 1236 OG SER B 14 -7.549 7.667 6.316 1.00 0.00 O ATOM 0 H SER B 14 -6.650 4.818 5.954 1.00 0.00 H new ATOM 0 HA SER B 14 -7.841 5.255 8.611 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.382 7.605 8.208 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.641 7.414 8.156 1.00 0.00 H new ATOM 0 HG SER B 14 -6.639 7.614 5.956 1.00 0.00 H new ATOM 1242 N TYR B 15 -9.975 6.126 6.787 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.209 5.830 6.002 1.00 0.00 C ATOM 1244 C TYR B 15 -11.918 7.139 5.654 1.00 0.00 C ATOM 1245 O TYR B 15 -11.717 8.153 6.291 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.151 4.946 6.833 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.350 3.904 7.577 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -10.987 2.704 6.936 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -10.967 4.133 8.912 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.241 1.733 7.632 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.221 3.162 9.607 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.858 1.962 8.968 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.127 1.010 9.649 1.00 0.00 O ATOM 0 H TYR B 15 -9.990 7.004 7.306 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.936 5.307 5.085 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.712 5.559 7.538 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.879 4.462 6.182 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.280 2.528 5.912 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.245 5.054 9.403 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -9.962 0.812 7.141 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -9.927 3.338 10.631 1.00 0.00 H new ATOM 0 HH TYR B 15 -8.945 1.326 10.559 1.00 0.00 H new ATOM 1263 N THR B 16 -12.750 7.122 4.649 1.00 0.00 N ATOM 1264 CA THR B 16 -13.472 8.367 4.270 1.00 0.00 C ATOM 1265 C THR B 16 -14.279 8.860 5.472 1.00 0.00 C ATOM 1266 O THR B 16 -14.122 8.374 6.576 1.00 0.00 O ATOM 1267 CB THR B 16 -14.408 8.082 3.086 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.349 9.136 2.955 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.148 6.762 3.312 1.00 0.00 C ATOM 0 H THR B 16 -12.960 6.304 4.077 1.00 0.00 H new ATOM 0 HA THR B 16 -12.757 9.135 3.974 1.00 0.00 H new ATOM 0 HB THR B 16 -13.815 8.010 2.174 1.00 0.00 H new ATOM 0 HG1 THR B 16 -15.943 8.952 2.198 1.00 0.00 H new ATOM 0 HG21 THR B 16 -15.810 6.567 2.468 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.426 5.951 3.402 1.00 0.00 H new ATOM 0 HG23 THR B 16 -15.736 6.827 4.227 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.141 9.819 5.269 1.00 0.00 N ATOM 1278 CA ALA B 17 -15.968 10.353 6.393 1.00 0.00 C ATOM 1279 C ALA B 17 -17.395 10.550 5.891 1.00 0.00 C ATOM 1280 O ALA B 17 -18.199 11.228 6.500 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.396 11.697 6.849 1.00 0.00 C ATOM 0 H ALA B 17 -15.310 10.260 4.365 1.00 0.00 H new ATOM 0 HA ALA B 17 -15.959 9.657 7.232 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -15.998 12.089 7.669 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.369 11.560 7.186 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.414 12.401 6.017 1.00 0.00 H new ATOM 1287 N ARG B 18 -17.714 9.947 4.776 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.085 10.072 4.202 1.00 0.00 C ATOM 1289 C ARG B 18 -19.494 8.729 3.595 1.00 0.00 C ATOM 1290 O ARG B 18 -18.826 8.199 2.729 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.082 11.147 3.112 1.00 0.00 C ATOM 1292 CG ARG B 18 -19.159 12.530 3.762 1.00 0.00 C ATOM 1293 CD ARG B 18 -18.794 13.597 2.735 1.00 0.00 C ATOM 1294 NE ARG B 18 -19.817 13.618 1.652 1.00 0.00 N ATOM 1295 CZ ARG B 18 -19.878 14.630 0.831 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -19.041 15.624 0.957 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -20.776 14.648 -0.115 1.00 0.00 N ATOM 0 H ARG B 18 -17.075 9.367 4.233 1.00 0.00 H new ATOM 0 HA ARG B 18 -19.791 10.352 4.984 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.178 11.066 2.509 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -19.928 11.001 2.440 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -20.164 12.708 4.145 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -18.480 12.582 4.613 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -18.738 14.574 3.215 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -17.809 13.391 2.315 1.00 0.00 H new ATOM 0 HE ARG B 18 -20.470 12.841 1.552 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -18.339 15.609 1.697 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -19.089 16.415 0.315 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -21.430 13.871 -0.212 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -20.824 15.439 -0.757 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.587 8.174 4.037 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.036 6.870 3.477 1.00 0.00 C ATOM 1313 C LYS B 19 -21.347 7.057 1.989 1.00 0.00 C ATOM 1314 O LYS B 19 -22.118 7.916 1.609 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.285 6.404 4.240 1.00 0.00 C ATOM 1316 CG LYS B 19 -22.932 5.206 3.549 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.129 4.754 4.382 1.00 0.00 C ATOM 1318 CE LYS B 19 -24.987 3.795 3.564 1.00 0.00 C ATOM 1319 NZ LYS B 19 -25.790 4.568 2.577 1.00 0.00 N ATOM 0 H LYS B 19 -21.188 8.567 4.761 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.258 6.114 3.584 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.013 6.136 5.261 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.002 7.222 4.305 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.251 5.476 2.543 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.213 4.393 3.448 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -23.787 4.265 5.294 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -24.720 5.618 4.687 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -24.354 3.073 3.048 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -25.646 3.228 4.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -25.875 4.023 1.695 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -26.738 4.748 2.965 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.319 5.474 2.380 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.737 6.271 1.143 1.00 0.00 N ATOM 1334 CA LEU B 20 -20.982 6.413 -0.320 1.00 0.00 C ATOM 1335 C LEU B 20 -22.390 5.875 -0.675 1.00 0.00 C ATOM 1336 O LEU B 20 -22.634 4.701 -0.482 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.948 5.584 -1.087 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.552 5.807 -0.505 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.525 5.129 -1.412 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.249 7.306 -0.431 1.00 0.00 C ATOM 0 H LEU B 20 -20.079 5.536 1.403 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.908 7.467 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.207 4.527 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.959 5.862 -2.141 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.505 5.384 0.499 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.525 5.281 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.736 4.061 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.581 5.561 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.253 7.456 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.293 7.736 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -18.985 7.795 0.207 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.281 6.705 -1.199 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.624 6.219 -1.573 1.00 0.00 C ATOM 1354 C PRO B 21 -24.496 5.048 -2.550 1.00 0.00 C ATOM 1355 O PRO B 21 -23.582 4.995 -3.345 1.00 0.00 O ATOM 1356 CB PRO B 21 -25.311 7.428 -2.248 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.398 8.664 -2.019 1.00 0.00 C ATOM 1358 CD PRO B 21 -23.057 8.147 -1.456 1.00 0.00 C ATOM 0 HA PRO B 21 -25.195 5.859 -0.718 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.451 7.245 -3.313 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -26.300 7.596 -1.821 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -24.240 9.203 -2.953 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.863 9.362 -1.323 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -22.245 8.300 -2.167 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.783 8.673 -0.542 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.411 4.119 -2.513 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.339 2.976 -3.464 1.00 0.00 C ATOM 1368 C ARG B 22 -25.156 3.532 -4.879 1.00 0.00 C ATOM 1369 O ARG B 22 -24.523 2.928 -5.722 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.639 2.167 -3.389 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.534 0.921 -4.283 1.00 0.00 C ATOM 1372 CD ARG B 22 -25.442 -0.029 -3.756 1.00 0.00 C ATOM 1373 NE ARG B 22 -25.742 -1.441 -4.177 1.00 0.00 N ATOM 1374 CZ ARG B 22 -26.845 -2.047 -3.824 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -27.666 -1.490 -2.975 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -27.109 -3.237 -4.292 1.00 0.00 N ATOM 0 H ARG B 22 -26.201 4.102 -1.869 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.502 2.326 -3.209 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.833 1.870 -2.358 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.480 2.783 -3.707 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -27.493 0.403 -4.310 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -26.303 1.218 -5.306 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -24.468 0.275 -4.140 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -25.389 0.032 -2.669 1.00 0.00 H new ATOM 0 HE ARG B 22 -25.065 -1.940 -4.755 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -27.449 -0.574 -2.581 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -28.524 -1.971 -2.705 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -26.456 -3.690 -4.931 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -27.969 -3.713 -4.019 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.712 4.686 -5.138 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.579 5.301 -6.490 1.00 0.00 C ATOM 1392 C ASN B 23 -24.141 5.789 -6.693 1.00 0.00 C ATOM 1393 O ASN B 23 -23.856 6.533 -7.609 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.558 6.486 -6.607 1.00 0.00 C ATOM 1395 CG ASN B 23 -27.913 5.994 -7.120 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -28.925 6.164 -6.469 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -27.969 5.385 -8.272 1.00 0.00 N ATOM 0 H ASN B 23 -26.255 5.231 -4.468 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.814 4.561 -7.255 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -26.680 6.966 -5.636 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -26.154 7.237 -7.285 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -28.864 5.050 -8.629 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -27.118 5.244 -8.816 1.00 0.00 H new ATOM 1404 N PHE B 24 -23.235 5.386 -5.841 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.814 5.838 -5.983 1.00 0.00 C ATOM 1406 C PHE B 24 -20.877 4.674 -5.641 1.00 0.00 C ATOM 1407 O PHE B 24 -19.774 4.869 -5.171 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.577 7.014 -5.021 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.392 7.847 -5.471 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.416 8.489 -6.728 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.272 7.994 -4.629 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.320 9.272 -7.139 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -18.177 8.778 -5.042 1.00 0.00 C ATOM 1414 CZ PHE B 24 -18.202 9.416 -6.297 1.00 0.00 C ATOM 0 H PHE B 24 -23.415 4.764 -5.053 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.615 6.159 -7.006 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.470 7.638 -4.975 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.400 6.636 -4.014 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -21.274 8.380 -7.374 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.253 7.505 -3.666 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.338 9.762 -8.101 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.319 8.890 -4.396 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.362 10.017 -6.614 1.00 0.00 H new ATOM 1424 N VAL B 25 -21.311 3.464 -5.885 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.456 2.273 -5.589 1.00 0.00 C ATOM 1426 C VAL B 25 -20.802 1.154 -6.574 1.00 0.00 C ATOM 1427 O VAL B 25 -21.681 0.351 -6.330 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.722 1.788 -4.162 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.786 0.623 -3.839 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.467 2.924 -3.171 1.00 0.00 C ATOM 0 H VAL B 25 -22.227 3.248 -6.279 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.405 2.545 -5.687 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.760 1.464 -4.083 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.974 0.276 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.965 -0.193 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.751 0.954 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.658 2.572 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.431 3.252 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -21.130 3.759 -3.396 1.00 0.00 H new ATOM 1440 N VAL B 26 -20.121 1.097 -7.688 1.00 0.00 N ATOM 1441 CA VAL B 26 -20.414 0.036 -8.693 1.00 0.00 C ATOM 1442 C VAL B 26 -19.624 -1.228 -8.360 1.00 0.00 C ATOM 1443 O VAL B 26 -19.863 -2.283 -8.913 1.00 0.00 O ATOM 1444 CB VAL B 26 -20.009 0.535 -10.078 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -21.005 1.594 -10.550 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.609 1.148 -10.010 1.00 0.00 C ATOM 0 H VAL B 26 -19.373 1.741 -7.945 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.479 -0.194 -8.677 1.00 0.00 H new ATOM 0 HB VAL B 26 -20.007 -0.300 -10.778 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -20.716 1.950 -11.539 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -22.003 1.159 -10.599 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -21.007 2.429 -9.850 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -18.319 1.504 -10.999 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -18.611 1.983 -9.309 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.898 0.394 -9.673 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.681 -1.136 -7.466 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.882 -2.342 -7.113 1.00 0.00 C ATOM 1458 C ASP B 27 -17.025 -2.039 -5.889 1.00 0.00 C ATOM 1459 O ASP B 27 -17.167 -1.010 -5.260 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.977 -2.713 -8.292 1.00 0.00 C ATOM 1461 CG ASP B 27 -16.397 -4.111 -8.071 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -17.093 -4.937 -7.505 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -15.266 -4.331 -8.472 1.00 0.00 O ATOM 0 H ASP B 27 -18.429 -0.283 -6.966 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.551 -3.174 -6.892 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.545 -2.686 -9.222 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -16.172 -1.985 -8.389 1.00 0.00 H new ATOM 1468 N TYR B 28 -16.132 -2.925 -5.542 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.270 -2.675 -4.355 1.00 0.00 C ATOM 1470 C TYR B 28 -13.978 -3.479 -4.466 1.00 0.00 C ATOM 1471 O TYR B 28 -13.715 -4.139 -5.451 1.00 0.00 O ATOM 1472 CB TYR B 28 -16.016 -3.056 -3.072 1.00 0.00 C ATOM 1473 CG TYR B 28 -16.129 -4.563 -2.945 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.874 -5.300 -3.886 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.497 -5.228 -1.874 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.986 -6.698 -3.758 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.610 -6.624 -1.744 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.354 -7.360 -2.686 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.465 -8.730 -2.560 1.00 0.00 O ATOM 0 H TYR B 28 -15.963 -3.806 -6.027 1.00 0.00 H new ATOM 0 HA TYR B 28 -15.023 -1.614 -4.318 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.491 -2.651 -2.207 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -17.011 -2.611 -3.078 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.360 -4.793 -4.706 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.925 -4.664 -1.152 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.556 -7.263 -4.481 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.126 -7.131 -0.922 1.00 0.00 H new ATOM 0 HH TYR B 28 -15.969 -9.027 -1.768 1.00 0.00 H new ATOM 1489 N TYR B 29 -13.168 -3.405 -3.456 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.876 -4.131 -3.462 1.00 0.00 C ATOM 1491 C TYR B 29 -11.388 -4.247 -2.012 1.00 0.00 C ATOM 1492 O TYR B 29 -11.434 -3.297 -1.265 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.880 -3.329 -4.318 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.456 -3.709 -3.986 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.965 -4.974 -4.352 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.624 -2.797 -3.307 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.639 -5.331 -4.040 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.299 -3.153 -2.995 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.806 -4.420 -3.361 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.506 -4.770 -3.056 1.00 0.00 O ATOM 0 H TYR B 29 -13.350 -2.863 -2.611 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.976 -5.132 -3.882 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -11.073 -3.513 -5.375 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -11.025 -2.262 -4.148 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.604 -5.672 -4.872 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -9.003 -1.825 -3.026 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.261 -6.303 -4.321 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.660 -2.455 -2.475 1.00 0.00 H new ATOM 0 HH TYR B 29 -5.069 -4.028 -2.589 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.931 -5.399 -1.601 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.453 -5.548 -0.191 1.00 0.00 C ATOM 1512 C GLU B 30 -8.948 -5.267 -0.130 1.00 0.00 C ATOM 1513 O GLU B 30 -8.241 -5.389 -1.111 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.731 -6.971 0.296 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.218 -7.122 0.625 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.528 -8.590 0.927 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -11.613 -9.301 1.307 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.674 -8.976 0.771 1.00 0.00 O ATOM 0 H GLU B 30 -10.867 -6.240 -2.174 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.979 -4.839 0.448 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.443 -7.691 -0.470 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.129 -7.188 1.179 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.476 -6.501 1.483 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.824 -6.776 -0.213 1.00 0.00 H new ATOM 1525 N THR B 31 -8.458 -4.881 1.017 1.00 0.00 N ATOM 1526 CA THR B 31 -7.000 -4.580 1.153 1.00 0.00 C ATOM 1527 C THR B 31 -6.187 -5.875 1.132 1.00 0.00 C ATOM 1528 O THR B 31 -6.676 -6.926 0.767 1.00 0.00 O ATOM 1529 CB THR B 31 -6.764 -3.864 2.485 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.465 -4.551 3.503 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.265 -2.422 2.385 1.00 0.00 C ATOM 0 H THR B 31 -9.005 -4.760 1.870 1.00 0.00 H new ATOM 0 HA THR B 31 -6.686 -3.949 0.321 1.00 0.00 H new ATOM 0 HB THR B 31 -5.700 -3.852 2.720 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.551 -5.496 3.260 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.097 -1.912 3.334 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.725 -1.903 1.593 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.331 -2.422 2.157 1.00 0.00 H new ATOM 1539 N SER B 32 -4.945 -5.797 1.526 1.00 0.00 N ATOM 1540 CA SER B 32 -4.078 -7.006 1.540 1.00 0.00 C ATOM 1541 C SER B 32 -4.301 -7.784 2.837 1.00 0.00 C ATOM 1542 O SER B 32 -5.393 -7.838 3.366 1.00 0.00 O ATOM 1543 CB SER B 32 -2.615 -6.573 1.460 1.00 0.00 C ATOM 1544 OG SER B 32 -2.438 -5.727 0.332 1.00 0.00 O ATOM 0 H SER B 32 -4.492 -4.939 1.841 1.00 0.00 H new ATOM 0 HA SER B 32 -4.326 -7.641 0.689 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.328 -6.048 2.371 1.00 0.00 H new ATOM 0 HB3 SER B 32 -1.969 -7.447 1.379 1.00 0.00 H new ATOM 0 HG SER B 32 -1.674 -6.041 -0.196 1.00 0.00 H new ATOM 1550 N SER B 33 -3.263 -8.385 3.349 1.00 0.00 N ATOM 1551 CA SER B 33 -3.382 -9.171 4.615 1.00 0.00 C ATOM 1552 C SER B 33 -2.114 -8.971 5.439 1.00 0.00 C ATOM 1553 O SER B 33 -2.149 -8.906 6.652 1.00 0.00 O ATOM 1554 CB SER B 33 -3.520 -10.650 4.272 1.00 0.00 C ATOM 1555 OG SER B 33 -2.234 -11.191 4.003 1.00 0.00 O ATOM 0 H SER B 33 -2.328 -8.367 2.943 1.00 0.00 H new ATOM 0 HA SER B 33 -4.253 -8.838 5.180 1.00 0.00 H new ATOM 0 HB2 SER B 33 -3.987 -11.185 5.099 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.169 -10.775 3.405 1.00 0.00 H new ATOM 0 HG SER B 33 -2.319 -12.142 3.784 1.00 0.00 H new ATOM 1561 N LEU B 34 -0.994 -8.880 4.774 1.00 0.00 N ATOM 1562 CA LEU B 34 0.309 -8.688 5.477 1.00 0.00 C ATOM 1563 C LEU B 34 0.146 -7.700 6.634 1.00 0.00 C ATOM 1564 O LEU B 34 0.450 -8.000 7.771 1.00 0.00 O ATOM 1565 CB LEU B 34 1.341 -8.131 4.495 1.00 0.00 C ATOM 1566 CG LEU B 34 1.250 -8.867 3.158 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.398 -8.416 2.253 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.344 -10.377 3.394 1.00 0.00 C ATOM 0 H LEU B 34 -0.925 -8.931 3.758 1.00 0.00 H new ATOM 0 HA LEU B 34 0.642 -9.650 5.867 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.171 -7.065 4.344 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.343 -8.238 4.910 1.00 0.00 H new ATOM 0 HG LEU B 34 0.298 -8.638 2.680 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.336 -8.939 1.299 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.327 -7.342 2.083 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.350 -8.646 2.731 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.279 -10.899 2.439 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.295 -10.612 3.872 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.525 -10.696 4.039 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.327 -6.523 6.345 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.506 -5.510 7.420 1.00 0.00 C ATOM 1582 C CYS B 35 -1.648 -5.949 8.343 1.00 0.00 C ATOM 1583 O CYS B 35 -2.718 -6.301 7.900 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.825 -4.149 6.791 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.943 -4.368 5.385 1.00 0.00 S ATOM 0 H CYS B 35 -0.598 -6.217 5.410 1.00 0.00 H new ATOM 0 HA CYS B 35 0.410 -5.423 8.004 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.283 -3.494 7.532 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.095 -3.665 6.463 1.00 0.00 H new ATOM 1590 N SER B 36 -1.411 -5.953 9.625 1.00 0.00 N ATOM 1591 CA SER B 36 -2.467 -6.380 10.589 1.00 0.00 C ATOM 1592 C SER B 36 -3.644 -5.392 10.599 1.00 0.00 C ATOM 1593 O SER B 36 -4.273 -5.199 11.622 1.00 0.00 O ATOM 1594 CB SER B 36 -1.863 -6.458 11.992 1.00 0.00 C ATOM 1595 OG SER B 36 -0.722 -7.305 11.966 1.00 0.00 O ATOM 0 H SER B 36 -0.526 -5.677 10.050 1.00 0.00 H new ATOM 0 HA SER B 36 -2.841 -7.356 10.280 1.00 0.00 H new ATOM 0 HB2 SER B 36 -1.583 -5.462 12.336 1.00 0.00 H new ATOM 0 HB3 SER B 36 -2.600 -6.843 12.697 1.00 0.00 H new ATOM 0 HG SER B 36 -0.332 -7.356 12.863 1.00 0.00 H new ATOM 1601 N GLN B 37 -3.961 -4.759 9.496 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.107 -3.793 9.514 1.00 0.00 C ATOM 1603 C GLN B 37 -5.735 -3.656 8.118 1.00 0.00 C ATOM 1604 O GLN B 37 -5.682 -2.593 7.533 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.602 -2.422 9.978 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.306 -2.071 9.242 1.00 0.00 C ATOM 1607 CD GLN B 37 -2.828 -0.687 9.683 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -3.596 0.096 10.204 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -1.581 -0.351 9.496 1.00 0.00 N ATOM 0 H GLN B 37 -3.487 -4.865 8.599 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.867 -4.169 10.199 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.358 -1.661 9.785 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.428 -2.433 11.054 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.540 -2.817 9.456 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.472 -2.084 8.165 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -0.936 -1.009 9.058 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -1.252 0.569 9.788 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.335 -4.719 7.627 1.00 0.00 N ATOM 1619 CA PRO B 38 -6.996 -4.689 6.307 1.00 0.00 C ATOM 1620 C PRO B 38 -8.230 -3.777 6.385 1.00 0.00 C ATOM 1621 O PRO B 38 -8.529 -3.200 7.411 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.401 -6.158 6.035 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.111 -6.969 7.333 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.403 -6.020 8.327 1.00 0.00 C ATOM 0 HA PRO B 38 -6.358 -4.301 5.513 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.456 -6.222 5.770 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.836 -6.563 5.195 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.038 -7.351 7.761 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.482 -7.832 7.113 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -6.960 -5.938 9.260 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.408 -6.385 8.581 1.00 0.00 H new ATOM 1632 N ALA B 39 -8.944 -3.653 5.306 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.155 -2.800 5.288 1.00 0.00 C ATOM 1634 C ALA B 39 -10.880 -3.039 3.967 1.00 0.00 C ATOM 1635 O ALA B 39 -10.328 -3.620 3.054 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.751 -1.328 5.395 1.00 0.00 C ATOM 0 H ALA B 39 -8.734 -4.116 4.421 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.805 -3.046 6.128 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.644 -0.704 5.381 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.209 -1.166 6.327 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.111 -1.064 4.553 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.097 -2.582 3.838 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.831 -2.774 2.551 1.00 0.00 C ATOM 1644 C VAL B 40 -12.713 -1.485 1.748 1.00 0.00 C ATOM 1645 O VAL B 40 -12.891 -0.400 2.267 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.307 -3.086 2.827 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -15.131 -2.890 1.549 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.430 -4.540 3.276 1.00 0.00 C ATOM 0 H VAL B 40 -12.614 -2.086 4.564 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.405 -3.609 1.994 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.678 -2.416 3.603 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.178 -3.114 1.753 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -15.039 -1.858 1.212 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.762 -3.559 0.772 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.476 -4.772 3.475 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -14.056 -5.196 2.490 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.846 -4.691 4.184 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.404 -1.603 0.487 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.256 -0.392 -0.381 1.00 0.00 C ATOM 1660 C VAL B 41 -13.405 -0.338 -1.391 1.00 0.00 C ATOM 1661 O VAL B 41 -13.597 -1.244 -2.170 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.911 -0.462 -1.116 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.512 0.932 -1.596 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.837 -0.986 -0.158 1.00 0.00 C ATOM 0 H VAL B 41 -12.246 -2.492 0.013 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.286 0.508 0.233 1.00 0.00 H new ATOM 0 HB VAL B 41 -11.004 -1.130 -1.972 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.556 0.878 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.274 1.315 -2.274 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.420 1.599 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.880 -1.037 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.751 -0.314 0.696 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.114 -1.981 0.190 1.00 0.00 H new ATOM 1674 N PHE B 42 -14.182 0.714 -1.383 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.325 0.805 -2.344 1.00 0.00 C ATOM 1676 C PHE B 42 -14.885 1.508 -3.629 1.00 0.00 C ATOM 1677 O PHE B 42 -14.204 2.514 -3.603 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.470 1.607 -1.710 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.211 0.754 -0.704 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.909 -0.395 -1.130 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.214 1.113 0.659 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.606 -1.183 -0.194 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.912 0.325 1.592 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.607 -0.823 1.167 1.00 0.00 C ATOM 0 H PHE B 42 -14.077 1.512 -0.756 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.660 -0.205 -2.580 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -16.073 2.497 -1.221 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -17.157 1.948 -2.484 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.909 -0.671 -2.174 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.681 1.993 0.987 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -19.140 -2.063 -0.520 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.915 0.601 2.636 1.00 0.00 H new ATOM 0 HZ PHE B 42 -19.141 -1.428 1.885 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.304 0.997 -4.757 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.960 1.633 -6.063 1.00 0.00 C ATOM 1696 C GLN B 43 -16.166 2.475 -6.491 1.00 0.00 C ATOM 1697 O GLN B 43 -17.270 1.966 -6.588 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.683 0.536 -7.095 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.405 -0.213 -6.710 1.00 0.00 C ATOM 1700 CD GLN B 43 -13.246 -1.443 -7.607 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -13.538 -2.549 -7.198 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -12.792 -1.295 -8.821 1.00 0.00 N ATOM 0 H GLN B 43 -15.877 0.156 -4.830 1.00 0.00 H new ATOM 0 HA GLN B 43 -14.073 2.261 -5.980 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.524 -0.156 -7.141 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.576 0.974 -8.088 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.540 0.442 -6.816 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.449 -0.516 -5.664 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -12.547 -0.366 -9.164 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -12.682 -2.108 -9.427 1.00 0.00 H new ATOM 1711 N THR B 44 -15.993 3.764 -6.701 1.00 0.00 N ATOM 1712 CA THR B 44 -17.176 4.624 -7.063 1.00 0.00 C ATOM 1713 C THR B 44 -17.268 4.860 -8.571 1.00 0.00 C ATOM 1714 O THR B 44 -16.664 4.170 -9.368 1.00 0.00 O ATOM 1715 CB THR B 44 -17.052 5.977 -6.367 1.00 0.00 C ATOM 1716 OG1 THR B 44 -16.192 6.813 -7.123 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.472 5.775 -4.966 1.00 0.00 C ATOM 0 H THR B 44 -15.100 4.252 -6.639 1.00 0.00 H new ATOM 0 HA THR B 44 -18.075 4.100 -6.740 1.00 0.00 H new ATOM 0 HB THR B 44 -18.034 6.443 -6.287 1.00 0.00 H new ATOM 0 HG1 THR B 44 -15.324 6.881 -6.674 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.382 6.740 -4.467 1.00 0.00 H new ATOM 0 HG22 THR B 44 -17.132 5.128 -4.389 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.488 5.313 -5.043 1.00 0.00 H new ATOM 1725 N LYS B 45 -18.047 5.845 -8.953 1.00 0.00 N ATOM 1726 CA LYS B 45 -18.232 6.173 -10.400 1.00 0.00 C ATOM 1727 C LYS B 45 -17.460 7.451 -10.745 1.00 0.00 C ATOM 1728 O LYS B 45 -17.199 7.729 -11.900 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.724 6.412 -10.678 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.572 5.331 -10.004 1.00 0.00 C ATOM 1731 CD LYS B 45 -22.054 5.634 -10.248 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.907 4.427 -9.849 1.00 0.00 C ATOM 1733 NZ LYS B 45 -24.324 4.857 -9.676 1.00 0.00 N ATOM 0 H LYS B 45 -18.569 6.443 -8.312 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.862 5.345 -11.004 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -20.016 7.395 -10.309 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.905 6.408 -11.753 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -20.318 4.349 -10.404 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -20.365 5.303 -8.934 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -22.355 6.509 -9.672 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -22.217 5.873 -11.299 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -22.841 3.653 -10.613 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -22.532 3.993 -8.922 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -24.839 4.142 -9.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -24.352 5.768 -9.174 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -24.771 4.962 -10.609 1.00 0.00 H new ATOM 1747 N ARG B 46 -17.105 8.241 -9.757 1.00 0.00 N ATOM 1748 CA ARG B 46 -16.362 9.518 -10.029 1.00 0.00 C ATOM 1749 C ARG B 46 -15.177 9.624 -9.064 1.00 0.00 C ATOM 1750 O ARG B 46 -14.994 10.610 -8.384 1.00 0.00 O ATOM 1751 CB ARG B 46 -17.322 10.710 -9.830 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.822 11.969 -10.580 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.767 12.736 -9.761 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.818 14.189 -10.124 1.00 0.00 N ATOM 1755 CZ ARG B 46 -15.772 14.583 -11.369 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -15.462 13.743 -12.319 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -15.976 15.839 -11.658 1.00 0.00 N ATOM 0 H ARG B 46 -17.298 8.057 -8.772 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.988 9.527 -11.053 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -18.316 10.442 -10.188 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.415 10.931 -8.767 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.396 11.676 -11.540 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.666 12.625 -10.793 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -15.955 12.609 -8.695 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.773 12.334 -9.960 1.00 0.00 H new ATOM 0 HE ARG B 46 -15.890 14.886 -9.383 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -15.253 12.771 -12.092 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -15.428 14.059 -13.288 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -16.170 16.509 -10.913 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -15.941 16.151 -12.628 1.00 0.00 H new ATOM 1771 N SER B 47 -14.362 8.613 -9.010 1.00 0.00 N ATOM 1772 CA SER B 47 -13.182 8.646 -8.115 1.00 0.00 C ATOM 1773 C SER B 47 -12.283 7.469 -8.477 1.00 0.00 C ATOM 1774 O SER B 47 -11.820 7.345 -9.593 1.00 0.00 O ATOM 1775 CB SER B 47 -13.623 8.557 -6.648 1.00 0.00 C ATOM 1776 OG SER B 47 -14.063 7.238 -6.360 1.00 0.00 O ATOM 0 H SER B 47 -14.466 7.757 -9.554 1.00 0.00 H new ATOM 0 HA SER B 47 -12.639 9.583 -8.241 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.795 8.826 -5.992 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.426 9.269 -6.456 1.00 0.00 H new ATOM 0 HG SER B 47 -14.156 7.129 -5.391 1.00 0.00 H new ATOM 1782 N LYS B 48 -12.052 6.601 -7.551 1.00 0.00 N ATOM 1783 CA LYS B 48 -11.207 5.414 -7.818 1.00 0.00 C ATOM 1784 C LYS B 48 -11.566 4.365 -6.780 1.00 0.00 C ATOM 1785 O LYS B 48 -12.492 3.596 -6.948 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.725 5.781 -7.683 1.00 0.00 C ATOM 1787 CG LYS B 48 -9.308 6.702 -8.835 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.781 6.757 -8.919 1.00 0.00 C ATOM 1789 CE LYS B 48 -7.364 7.767 -9.990 1.00 0.00 C ATOM 1790 NZ LYS B 48 -7.957 9.098 -9.675 1.00 0.00 N ATOM 0 H LYS B 48 -12.418 6.661 -6.601 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.377 5.042 -8.828 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.550 6.277 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -9.116 4.877 -7.690 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.721 6.336 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.710 7.703 -8.678 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -7.363 7.042 -7.953 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -7.384 5.771 -9.160 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -6.277 7.842 -10.031 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -7.698 7.431 -10.972 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -7.378 9.847 -10.105 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -8.924 9.146 -10.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -7.984 9.231 -8.644 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.849 4.362 -5.689 1.00 0.00 N ATOM 1805 CA GLN B 49 -11.125 3.401 -4.584 1.00 0.00 C ATOM 1806 C GLN B 49 -11.180 4.202 -3.274 1.00 0.00 C ATOM 1807 O GLN B 49 -10.463 5.172 -3.100 1.00 0.00 O ATOM 1808 CB GLN B 49 -10.003 2.336 -4.531 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.276 2.272 -5.879 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.275 1.116 -5.868 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -7.547 0.938 -4.911 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -8.206 0.318 -6.898 1.00 0.00 N ATOM 0 H GLN B 49 -10.070 4.997 -5.515 1.00 0.00 H new ATOM 0 HA GLN B 49 -12.071 2.883 -4.741 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -9.296 2.580 -3.738 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -10.427 1.361 -4.291 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -9.996 2.135 -6.686 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -8.759 3.212 -6.070 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -8.817 0.468 -7.701 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -7.541 -0.455 -6.900 1.00 0.00 H new ATOM 1821 N VAL B 50 -12.039 3.822 -2.361 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.155 4.572 -1.068 1.00 0.00 C ATOM 1823 C VAL B 50 -12.147 3.572 0.082 1.00 0.00 C ATOM 1824 O VAL B 50 -12.914 2.637 0.097 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.472 5.367 -1.059 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.373 6.517 -0.051 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.744 5.919 -2.466 1.00 0.00 C ATOM 0 H VAL B 50 -12.667 3.024 -2.454 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.319 5.263 -0.958 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.293 4.712 -0.767 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.307 7.078 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.188 6.113 0.944 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.554 7.178 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.677 6.483 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.926 6.574 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.823 5.092 -3.172 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.287 3.764 1.039 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.217 2.814 2.183 1.00 0.00 C ATOM 1839 C CYS B 51 -12.443 2.986 3.077 1.00 0.00 C ATOM 1840 O CYS B 51 -13.015 4.054 3.168 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.949 3.098 2.989 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.494 2.831 1.944 1.00 0.00 S ATOM 0 H CYS B 51 -10.627 4.540 1.080 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.194 1.791 1.807 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.962 4.124 3.357 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.907 2.447 3.862 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.858 1.931 3.731 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.060 2.012 4.616 1.00 0.00 C ATOM 1849 C ALA B 52 -13.852 1.129 5.849 1.00 0.00 C ATOM 1850 O ALA B 52 -13.389 0.007 5.752 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.283 1.512 3.844 1.00 0.00 C ATOM 0 H ALA B 52 -12.414 1.013 3.690 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.212 3.045 4.930 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.164 1.568 4.483 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.435 2.133 2.961 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.122 0.478 3.537 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.194 1.627 7.006 1.00 0.00 N ATOM 1858 CA ASP B 53 -14.024 0.824 8.251 1.00 0.00 C ATOM 1859 C ASP B 53 -15.034 -0.351 8.248 1.00 0.00 C ATOM 1860 O ASP B 53 -16.223 -0.101 8.257 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.313 1.720 9.458 1.00 0.00 C ATOM 1862 CG ASP B 53 -15.601 2.509 9.212 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -16.219 2.290 8.184 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -15.945 3.320 10.055 1.00 0.00 O ATOM 0 H ASP B 53 -14.585 2.559 7.143 1.00 0.00 H new ATOM 0 HA ASP B 53 -13.007 0.435 8.302 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -14.412 1.114 10.359 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -13.481 2.404 9.624 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.576 -1.599 8.238 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.511 -2.746 8.237 1.00 0.00 C ATOM 1871 C PRO B 54 -16.370 -2.731 9.512 1.00 0.00 C ATOM 1872 O PRO B 54 -17.287 -3.514 9.664 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.610 -4.002 8.194 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.132 -3.521 8.187 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.142 -1.976 8.224 1.00 0.00 C ATOM 0 HA PRO B 54 -16.201 -2.717 7.393 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.801 -4.640 9.057 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.823 -4.596 7.305 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.595 -3.921 9.047 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.617 -3.879 7.295 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.627 -1.600 9.108 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.633 -1.558 7.356 1.00 0.00 H new ATOM 1883 N SER B 55 -16.065 -1.862 10.432 1.00 0.00 N ATOM 1884 CA SER B 55 -16.848 -1.814 11.700 1.00 0.00 C ATOM 1885 C SER B 55 -18.194 -1.124 11.465 1.00 0.00 C ATOM 1886 O SER B 55 -19.120 -1.279 12.236 1.00 0.00 O ATOM 1887 CB SER B 55 -16.058 -1.034 12.753 1.00 0.00 C ATOM 1888 OG SER B 55 -16.932 -0.647 13.804 1.00 0.00 O ATOM 0 H SER B 55 -15.308 -1.182 10.363 1.00 0.00 H new ATOM 0 HA SER B 55 -17.026 -2.832 12.046 1.00 0.00 H new ATOM 0 HB2 SER B 55 -15.248 -1.649 13.146 1.00 0.00 H new ATOM 0 HB3 SER B 55 -15.600 -0.153 12.302 1.00 0.00 H new ATOM 0 HG SER B 55 -16.429 -0.148 14.481 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.318 -0.368 10.408 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.615 0.320 10.137 1.00 0.00 C ATOM 1896 C GLU B 56 -20.577 -0.667 9.465 1.00 0.00 C ATOM 1897 O GLU B 56 -20.309 -1.202 8.408 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.374 1.523 9.225 1.00 0.00 C ATOM 1899 CG GLU B 56 -18.844 2.701 10.048 1.00 0.00 C ATOM 1900 CD GLU B 56 -18.376 3.813 9.107 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -18.242 3.544 7.925 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -18.159 4.915 9.585 1.00 0.00 O ATOM 0 H GLU B 56 -17.582 -0.197 9.723 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.052 0.668 11.073 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.659 1.262 8.445 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.301 1.804 8.726 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -19.624 3.075 10.711 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.019 2.374 10.680 1.00 0.00 H new ATOM 1909 N SER B 57 -21.688 -0.919 10.094 1.00 0.00 N ATOM 1910 CA SER B 57 -22.685 -1.880 9.542 1.00 0.00 C ATOM 1911 C SER B 57 -23.005 -1.584 8.072 1.00 0.00 C ATOM 1912 O SER B 57 -23.154 -2.490 7.276 1.00 0.00 O ATOM 1913 CB SER B 57 -23.973 -1.790 10.361 1.00 0.00 C ATOM 1914 OG SER B 57 -23.696 -2.141 11.711 1.00 0.00 O ATOM 0 H SER B 57 -21.954 -0.494 10.982 1.00 0.00 H new ATOM 0 HA SER B 57 -22.258 -2.881 9.601 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.379 -0.780 10.312 1.00 0.00 H new ATOM 0 HB3 SER B 57 -24.728 -2.458 9.947 1.00 0.00 H new ATOM 0 HG SER B 57 -24.519 -2.083 12.240 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.142 -0.341 7.699 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.485 -0.043 6.279 1.00 0.00 C ATOM 1922 C TRP B 58 -22.396 -0.593 5.359 1.00 0.00 C ATOM 1923 O TRP B 58 -22.648 -0.940 4.224 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.683 1.468 6.075 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.378 2.190 5.965 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.817 2.927 6.951 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.481 2.291 4.818 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.634 3.472 6.488 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.377 3.107 5.184 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.512 1.758 3.508 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.339 3.386 4.285 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.469 2.037 2.599 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.384 2.849 2.989 1.00 0.00 C ATOM 0 H TRP B 58 -23.033 0.471 8.306 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.426 -0.532 6.027 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.270 1.639 5.173 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.254 1.875 6.909 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.227 3.067 7.940 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -20.025 4.072 7.044 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.339 1.134 3.202 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.511 4.010 4.587 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.502 1.627 1.600 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.587 3.058 2.290 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.193 -0.701 5.842 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.107 -1.251 4.990 1.00 0.00 C ATOM 1946 C VAL B 59 -20.359 -2.740 4.777 1.00 0.00 C ATOM 1947 O VAL B 59 -20.300 -3.239 3.671 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.764 -1.046 5.685 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.639 -1.651 4.840 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.531 0.454 5.862 1.00 0.00 C ATOM 0 H VAL B 59 -20.915 -0.433 6.786 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.090 -0.740 4.027 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.772 -1.539 6.657 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.684 -1.500 5.344 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.816 -2.719 4.710 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.615 -1.165 3.864 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.574 0.618 6.358 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.521 0.938 4.886 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.331 0.877 6.469 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.652 -3.450 5.827 1.00 0.00 N ATOM 1961 CA GLN B 60 -20.923 -4.908 5.684 1.00 0.00 C ATOM 1962 C GLN B 60 -22.179 -5.111 4.830 1.00 0.00 C ATOM 1963 O GLN B 60 -22.269 -6.037 4.049 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.137 -5.527 7.066 1.00 0.00 C ATOM 1965 CG GLN B 60 -21.235 -7.048 6.935 1.00 0.00 C ATOM 1966 CD GLN B 60 -21.455 -7.668 8.317 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -22.575 -7.785 8.772 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -20.424 -8.072 9.008 1.00 0.00 N ATOM 0 H GLN B 60 -20.716 -3.086 6.778 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.073 -5.390 5.201 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -20.312 -5.261 7.727 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -22.047 -5.131 7.517 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -22.057 -7.314 6.271 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -20.323 -7.444 6.488 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -19.484 -7.974 8.626 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -20.559 -8.486 9.930 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.150 -4.252 4.981 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.406 -4.390 4.187 1.00 0.00 C ATOM 1979 C GLU B 61 -24.113 -4.189 2.698 1.00 0.00 C ATOM 1980 O GLU B 61 -24.538 -4.960 1.861 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.419 -3.340 4.651 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.764 -3.591 3.968 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.774 -2.536 4.427 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -27.346 -1.540 4.985 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -28.956 -2.744 4.211 1.00 0.00 O ATOM 0 H GLU B 61 -23.128 -3.458 5.621 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.814 -5.389 4.338 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.535 -3.385 5.734 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.058 -2.340 4.410 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.647 -3.551 2.885 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -27.128 -4.589 4.213 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.392 -3.156 2.362 1.00 0.00 N ATOM 1993 CA TYR B 62 -23.075 -2.899 0.927 1.00 0.00 C ATOM 1994 C TYR B 62 -22.261 -4.069 0.367 1.00 0.00 C ATOM 1995 O TYR B 62 -22.405 -4.443 -0.780 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.267 -1.595 0.800 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.193 -0.389 0.803 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.186 -0.245 1.795 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.057 0.597 -0.198 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.036 0.878 1.783 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.908 1.717 -0.207 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.897 1.858 0.783 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.731 2.957 0.773 1.00 0.00 O ATOM 0 H TYR B 62 -23.008 -2.477 3.019 1.00 0.00 H new ATOM 0 HA TYR B 62 -24.002 -2.801 0.363 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.558 -1.518 1.625 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.684 -1.610 -0.121 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.294 -0.996 2.564 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.298 0.491 -0.959 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.796 0.987 2.543 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.802 2.469 -0.975 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.500 3.536 0.017 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.416 -4.656 1.165 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.613 -5.803 0.677 1.00 0.00 C ATOM 2015 C VAL B 63 -21.561 -6.953 0.376 1.00 0.00 C ATOM 2016 O VAL B 63 -21.439 -7.636 -0.620 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.613 -6.221 1.758 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.938 -7.537 1.362 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.549 -5.131 1.912 1.00 0.00 C ATOM 0 H VAL B 63 -21.248 -4.389 2.135 1.00 0.00 H new ATOM 0 HA VAL B 63 -20.063 -5.528 -0.223 1.00 0.00 H new ATOM 0 HB VAL B 63 -20.140 -6.358 2.702 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.228 -7.829 2.136 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.694 -8.315 1.251 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.411 -7.406 0.417 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.835 -5.426 2.681 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -18.027 -4.996 0.965 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -19.027 -4.194 2.200 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.513 -7.164 1.236 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.482 -8.263 1.016 1.00 0.00 C ATOM 2031 C TYR B 64 -24.284 -7.977 -0.252 1.00 0.00 C ATOM 2032 O TYR B 64 -24.499 -8.841 -1.076 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.430 -8.348 2.215 1.00 0.00 C ATOM 2034 CG TYR B 64 -25.120 -9.695 2.228 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.386 -10.858 2.531 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.496 -9.787 1.938 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -25.027 -12.112 2.543 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -27.137 -11.041 1.952 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.402 -12.204 2.254 1.00 0.00 C ATOM 2040 OH TYR B 64 -27.029 -13.433 2.266 1.00 0.00 O ATOM 0 H TYR B 64 -22.661 -6.619 2.085 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.951 -9.209 0.906 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.873 -8.205 3.141 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.171 -7.550 2.162 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.332 -10.788 2.754 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -27.059 -8.895 1.705 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.463 -13.004 2.774 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -28.192 -11.111 1.731 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.977 -13.319 2.046 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.727 -6.764 -0.404 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.523 -6.399 -1.609 1.00 0.00 C ATOM 2052 C ASP B 65 -24.677 -6.612 -2.866 1.00 0.00 C ATOM 2053 O ASP B 65 -25.175 -6.989 -3.908 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.935 -4.926 -1.508 1.00 0.00 C ATOM 2055 CG ASP B 65 -27.134 -4.786 -0.567 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -26.920 -4.768 0.635 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -28.245 -4.698 -1.064 1.00 0.00 O ATOM 0 H ASP B 65 -24.572 -6.003 0.258 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.413 -7.026 -1.667 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -25.100 -4.330 -1.139 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -26.189 -4.542 -2.496 1.00 0.00 H new ATOM 2062 N LEU B 66 -23.401 -6.374 -2.772 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.513 -6.560 -3.953 1.00 0.00 C ATOM 2064 C LEU B 66 -22.348 -8.056 -4.237 1.00 0.00 C ATOM 2065 O LEU B 66 -22.166 -8.468 -5.365 1.00 0.00 O ATOM 2066 CB LEU B 66 -21.148 -5.929 -3.645 1.00 0.00 C ATOM 2067 CG LEU B 66 -21.204 -4.401 -3.865 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -20.088 -3.724 -3.067 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -21.007 -4.069 -5.353 1.00 0.00 C ATOM 0 H LEU B 66 -22.931 -6.057 -1.924 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.948 -6.081 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.863 -6.145 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -20.383 -6.368 -4.286 1.00 0.00 H new ATOM 0 HG LEU B 66 -22.178 -4.041 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -20.130 -2.646 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -20.216 -3.941 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -19.122 -4.102 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -21.049 -2.989 -5.493 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -20.037 -4.441 -5.683 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.795 -4.542 -5.939 1.00 0.00 H new ATOM 2081 N GLU B 67 -22.418 -8.868 -3.223 1.00 0.00 N ATOM 2082 CA GLU B 67 -22.274 -10.338 -3.432 1.00 0.00 C ATOM 2083 C GLU B 67 -23.539 -10.875 -4.098 1.00 0.00 C ATOM 2084 O GLU B 67 -23.505 -11.835 -4.842 1.00 0.00 O ATOM 2085 CB GLU B 67 -22.084 -11.026 -2.081 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.693 -10.700 -1.547 1.00 0.00 C ATOM 2087 CD GLU B 67 -20.521 -11.313 -0.156 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -21.487 -11.852 0.356 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -19.424 -11.235 0.372 1.00 0.00 O ATOM 0 H GLU B 67 -22.569 -8.580 -2.256 1.00 0.00 H new ATOM 0 HA GLU B 67 -21.410 -10.536 -4.067 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.845 -10.690 -1.377 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -22.203 -12.104 -2.188 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -19.932 -11.089 -2.224 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.555 -9.620 -1.499 1.00 0.00 H new