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: A 5 SER OG : rot -27:sc= -0.632! USER MOD Set 1.2: B 44 THR OG1 : rot 149:sc= 1.27 USER MOD Set 1.3: B 47 SER OG : rot -77:sc= 0.357! USER MOD Set 2.1: A 44 THR OG1 : rot 150:sc= 1.15 USER MOD Set 2.2: A 47 SER OG : rot -68:sc= 0.513! USER MOD Set 2.3: B 5 SER OG : rot -16:sc= -0.681! USER MOD Single : A 9 THR OG1 : rot 168:sc= -0.521 USER MOD Single : A 14 SER OG : rot -83:sc= 1.33 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 95:sc= 0.507! USER MOD Single : A 19 LYS NZ :NH3+ -104:sc= -2.51! (180deg=-5.17!) USER MOD Single : A 23 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.8) 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 46:sc= -0.552 USER MOD Single : A 32 SER OG : rot 180:sc= 0.385 USER MOD Single : A 33 SER OG : rot 180:sc= -0.146 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -8.4! K(o=-8.4!,f=-2.4) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= -1.02 (180deg=-2.01!) USER MOD Single : A 48 LYS NZ :NH3+ -139:sc= -3.21! (180deg=-5.69!) USER MOD Single : A 49 GLN : amide:sc= -2.76! K(o=-2.8!,f=-1.1) 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= -0.917 K(o=-0.92,f=-0.037) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0179 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 168:sc= -0.58 USER MOD Single : B 14 SER OG : rot -78:sc= 1.28 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.33 USER MOD Single : B 19 LYS NZ :NH3+ -104:sc= -2.4! (180deg=-5.12!) USER MOD Single : B 23 ASN : amide:sc= -1.75 K(o=-1.8,f=-2.8) 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 37:sc= -0.739 USER MOD Single : B 32 SER OG : rot 180:sc= 0.48 USER MOD Single : B 33 SER OG : rot 180:sc= -0.145 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=-0.00012) USER MOD Single : B 43 GLN : amide:sc= -8.5! K(o=-8.5!,f=-2.5) USER MOD Single : B 45 LYS NZ :NH3+ -164:sc= -1.06 (180deg=-2.51!) USER MOD Single : B 48 LYS NZ :NH3+ -140:sc= -3.12! (180deg=-5.66!) USER MOD Single : B 49 GLN : amide:sc= -2.71! K(o=-2.7!,f=-1.1) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= -0.887 K(o=-0.89,f=-0.024) USER MOD Single : B 62 TYR OH : rot 180:sc= -0.012 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -10.761 10.103 -4.275 1.00 0.00 N ATOM 52 CA SER A 5 -11.501 9.916 -2.997 1.00 0.00 C ATOM 53 C SER A 5 -10.514 9.598 -1.862 1.00 0.00 C ATOM 54 O SER A 5 -9.943 10.486 -1.261 1.00 0.00 O ATOM 55 CB SER A 5 -12.482 8.761 -3.190 1.00 0.00 C ATOM 56 OG SER A 5 -11.906 7.828 -4.094 1.00 0.00 O ATOM 0 HA SER A 5 -12.040 10.825 -2.729 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.695 8.281 -2.235 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.431 9.130 -3.580 1.00 0.00 H new ATOM 0 HG SER A 5 -11.277 8.291 -4.686 1.00 0.00 H new ATOM 62 N ASP A 6 -10.311 8.337 -1.557 1.00 0.00 N ATOM 63 CA ASP A 6 -9.363 7.976 -0.455 1.00 0.00 C ATOM 64 C ASP A 6 -8.851 6.541 -0.662 1.00 0.00 C ATOM 65 O ASP A 6 -9.188 5.661 0.105 1.00 0.00 O ATOM 66 CB ASP A 6 -10.088 8.056 0.897 1.00 0.00 C ATOM 67 CG ASP A 6 -10.924 9.335 0.960 1.00 0.00 C ATOM 68 OD1 ASP A 6 -10.352 10.382 1.217 1.00 0.00 O ATOM 69 OD2 ASP A 6 -12.122 9.246 0.749 1.00 0.00 O ATOM 0 H ASP A 6 -10.758 7.547 -2.021 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.524 8.672 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.729 7.184 1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.363 8.044 1.711 1.00 0.00 H new ATOM 74 N PRO A 7 -8.056 6.337 -1.691 1.00 0.00 N ATOM 75 CA PRO A 7 -7.511 4.998 -1.987 1.00 0.00 C ATOM 76 C PRO A 7 -6.572 4.544 -0.845 1.00 0.00 C ATOM 77 O PRO A 7 -6.197 5.347 -0.013 1.00 0.00 O ATOM 78 CB PRO A 7 -6.739 5.170 -3.319 1.00 0.00 C ATOM 79 CG PRO A 7 -6.811 6.676 -3.711 1.00 0.00 C ATOM 80 CD PRO A 7 -7.645 7.402 -2.632 1.00 0.00 C ATOM 0 HA PRO A 7 -8.285 4.235 -2.070 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.702 4.853 -3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.178 4.549 -4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.810 7.103 -3.773 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.269 6.794 -4.693 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.058 8.170 -2.128 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.511 7.899 -3.069 1.00 0.00 H new ATOM 88 N PRO A 8 -6.212 3.274 -0.840 1.00 0.00 N ATOM 89 CA PRO A 8 -5.312 2.725 0.197 1.00 0.00 C ATOM 90 C PRO A 8 -3.949 3.435 0.138 1.00 0.00 C ATOM 91 O PRO A 8 -3.830 4.533 -0.366 1.00 0.00 O ATOM 92 CB PRO A 8 -5.178 1.221 -0.149 1.00 0.00 C ATOM 93 CG PRO A 8 -5.915 0.988 -1.500 1.00 0.00 C ATOM 94 CD PRO A 8 -6.667 2.291 -1.847 1.00 0.00 C ATOM 0 HA PRO A 8 -5.694 2.870 1.208 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.129 0.938 -0.230 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.614 0.606 0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.204 0.734 -2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.611 0.153 -1.418 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.433 2.624 -2.858 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.747 2.148 -1.800 1.00 0.00 H new ATOM 102 N THR A 9 -2.921 2.808 0.651 1.00 0.00 N ATOM 103 CA THR A 9 -1.568 3.437 0.626 1.00 0.00 C ATOM 104 C THR A 9 -0.497 2.348 0.666 1.00 0.00 C ATOM 105 O THR A 9 -0.506 1.480 1.516 1.00 0.00 O ATOM 106 CB THR A 9 -1.409 4.350 1.842 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.577 5.144 1.991 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.191 5.258 1.651 1.00 0.00 C ATOM 0 H THR A 9 -2.961 1.886 1.086 1.00 0.00 H new ATOM 0 HA THR A 9 -1.457 4.022 -0.287 1.00 0.00 H new ATOM 0 HB THR A 9 -1.265 3.742 2.735 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.560 5.591 2.863 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.081 5.907 2.520 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.705 4.647 1.539 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.328 5.867 0.758 1.00 0.00 H new ATOM 116 N ALA A 10 0.427 2.392 -0.250 1.00 0.00 N ATOM 117 CA ALA A 10 1.504 1.367 -0.277 1.00 0.00 C ATOM 118 C ALA A 10 2.428 1.559 0.926 1.00 0.00 C ATOM 119 O ALA A 10 3.481 2.158 0.820 1.00 0.00 O ATOM 120 CB ALA A 10 2.310 1.524 -1.565 1.00 0.00 C ATOM 0 H ALA A 10 0.483 3.097 -0.985 1.00 0.00 H new ATOM 0 HA ALA A 10 1.062 0.372 -0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.102 0.776 -1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.653 1.388 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.751 2.520 -1.599 1.00 0.00 H new ATOM 126 N CYS A 11 2.046 1.044 2.067 1.00 0.00 N ATOM 127 CA CYS A 11 2.897 1.175 3.291 1.00 0.00 C ATOM 128 C CYS A 11 3.495 -0.194 3.617 1.00 0.00 C ATOM 129 O CYS A 11 2.829 -1.207 3.535 1.00 0.00 O ATOM 130 CB CYS A 11 2.034 1.649 4.465 1.00 0.00 C ATOM 131 SG CYS A 11 1.196 3.191 4.015 1.00 0.00 S ATOM 0 H CYS A 11 1.174 0.534 2.205 1.00 0.00 H new ATOM 0 HA CYS A 11 3.693 1.899 3.117 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.300 0.885 4.722 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.655 1.804 5.347 1.00 0.00 H new ATOM 136 N CYS A 12 4.749 -0.239 3.974 1.00 0.00 N ATOM 137 CA CYS A 12 5.382 -1.549 4.290 1.00 0.00 C ATOM 138 C CYS A 12 4.859 -2.064 5.631 1.00 0.00 C ATOM 139 O CYS A 12 4.628 -1.307 6.552 1.00 0.00 O ATOM 140 CB CYS A 12 6.901 -1.379 4.366 1.00 0.00 C ATOM 141 SG CYS A 12 7.543 -0.946 2.730 1.00 0.00 S ATOM 0 H CYS A 12 5.361 0.573 4.060 1.00 0.00 H new ATOM 0 HA CYS A 12 5.135 -2.266 3.507 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.155 -0.601 5.086 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.364 -2.301 4.717 1.00 0.00 H new ATOM 146 N PHE A 13 4.676 -3.356 5.747 1.00 0.00 N ATOM 147 CA PHE A 13 4.174 -3.944 7.026 1.00 0.00 C ATOM 148 C PHE A 13 5.353 -4.566 7.775 1.00 0.00 C ATOM 149 O PHE A 13 5.304 -4.789 8.968 1.00 0.00 O ATOM 150 CB PHE A 13 3.143 -5.030 6.713 1.00 0.00 C ATOM 151 CG PHE A 13 3.817 -6.162 5.977 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.089 -6.043 4.602 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.180 -7.335 6.669 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.722 -7.096 3.915 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.813 -8.388 5.983 1.00 0.00 C ATOM 156 CZ PHE A 13 5.085 -8.269 4.606 1.00 0.00 C ATOM 0 H PHE A 13 4.854 -4.033 5.005 1.00 0.00 H new ATOM 0 HA PHE A 13 3.710 -3.170 7.637 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.694 -5.398 7.636 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.336 -4.617 6.108 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.812 -5.143 4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.972 -7.426 7.725 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.929 -7.005 2.859 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.090 -9.288 6.512 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.572 -9.077 4.080 1.00 0.00 H new ATOM 166 N SER A 14 6.415 -4.848 7.070 1.00 0.00 N ATOM 167 CA SER A 14 7.611 -5.455 7.715 1.00 0.00 C ATOM 168 C SER A 14 8.842 -5.145 6.863 1.00 0.00 C ATOM 169 O SER A 14 8.912 -4.120 6.214 1.00 0.00 O ATOM 170 CB SER A 14 7.425 -6.969 7.816 1.00 0.00 C ATOM 171 OG SER A 14 7.376 -7.525 6.508 1.00 0.00 O ATOM 0 H SER A 14 6.504 -4.682 6.068 1.00 0.00 H new ATOM 0 HA SER A 14 7.741 -5.044 8.716 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.246 -7.411 8.381 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.506 -7.199 8.356 1.00 0.00 H new ATOM 0 HG SER A 14 6.468 -7.437 6.149 1.00 0.00 H new ATOM 177 N TYR A 15 9.813 -6.018 6.855 1.00 0.00 N ATOM 178 CA TYR A 15 11.039 -5.764 6.042 1.00 0.00 C ATOM 179 C TYR A 15 11.691 -7.097 5.674 1.00 0.00 C ATOM 180 O TYR A 15 11.422 -8.114 6.282 1.00 0.00 O ATOM 181 CB TYR A 15 12.027 -4.924 6.859 1.00 0.00 C ATOM 182 CG TYR A 15 11.283 -3.840 7.603 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.939 -2.643 6.946 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.931 -4.028 8.953 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.244 -1.634 7.640 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.236 -3.019 9.648 1.00 0.00 C ATOM 187 CZ TYR A 15 9.894 -1.822 8.991 1.00 0.00 C ATOM 188 OH TYR A 15 9.213 -0.833 9.672 1.00 0.00 O ATOM 0 H TYR A 15 9.811 -6.895 7.375 1.00 0.00 H new ATOM 0 HA TYR A 15 10.768 -5.227 5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.563 -5.560 7.564 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.773 -4.480 6.200 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.208 -2.499 5.910 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.194 -4.947 9.456 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.979 -0.716 7.136 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.966 -3.164 10.684 1.00 0.00 H new ATOM 0 HH TYR A 15 9.049 -1.124 10.593 1.00 0.00 H new ATOM 198 N THR A 16 12.550 -7.101 4.690 1.00 0.00 N ATOM 199 CA THR A 16 13.217 -8.374 4.303 1.00 0.00 C ATOM 200 C THR A 16 14.048 -8.880 5.487 1.00 0.00 C ATOM 201 O THR A 16 13.647 -8.765 6.628 1.00 0.00 O ATOM 202 CB THR A 16 14.102 -8.154 3.067 1.00 0.00 C ATOM 203 OG1 THR A 16 14.761 -9.366 2.731 1.00 0.00 O ATOM 204 CG2 THR A 16 15.139 -7.063 3.340 1.00 0.00 C ATOM 0 H THR A 16 12.816 -6.283 4.142 1.00 0.00 H new ATOM 0 HA THR A 16 12.467 -9.122 4.048 1.00 0.00 H new ATOM 0 HB THR A 16 13.472 -7.838 2.236 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.242 -9.843 2.050 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.758 -6.919 2.454 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.630 -6.130 3.582 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.769 -7.361 4.178 1.00 0.00 H new ATOM 212 N ALA A 17 15.197 -9.445 5.239 1.00 0.00 N ATOM 213 CA ALA A 17 16.031 -9.959 6.364 1.00 0.00 C ATOM 214 C ALA A 17 17.507 -9.870 5.989 1.00 0.00 C ATOM 215 O ALA A 17 18.358 -9.617 6.817 1.00 0.00 O ATOM 216 CB ALA A 17 15.669 -11.421 6.627 1.00 0.00 C ATOM 0 H ALA A 17 15.595 -9.573 4.309 1.00 0.00 H new ATOM 0 HA ALA A 17 15.846 -9.362 7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.275 -11.804 7.448 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.614 -11.493 6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.860 -12.010 5.730 1.00 0.00 H new ATOM 222 N ARG A 18 17.814 -10.097 4.742 1.00 0.00 N ATOM 223 CA ARG A 18 19.232 -10.052 4.288 1.00 0.00 C ATOM 224 C ARG A 18 19.530 -8.709 3.619 1.00 0.00 C ATOM 225 O ARG A 18 18.783 -8.238 2.785 1.00 0.00 O ATOM 226 CB ARG A 18 19.450 -11.187 3.290 1.00 0.00 C ATOM 227 CG ARG A 18 19.540 -12.526 4.050 1.00 0.00 C ATOM 228 CD ARG A 18 19.059 -13.666 3.158 1.00 0.00 C ATOM 229 NE ARG A 18 17.569 -13.651 3.097 1.00 0.00 N ATOM 230 CZ ARG A 18 16.946 -14.337 2.177 1.00 0.00 C ATOM 231 NH1 ARG A 18 17.626 -15.038 1.312 1.00 0.00 N ATOM 232 NH2 ARG A 18 15.642 -14.320 2.124 1.00 0.00 N ATOM 0 H ARG A 18 17.136 -10.314 4.011 1.00 0.00 H new ATOM 0 HA ARG A 18 19.900 -10.165 5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.630 -11.218 2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.365 -11.016 2.722 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.568 -12.707 4.363 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.934 -12.481 4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 18 19.476 -13.560 2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.409 -14.621 3.549 1.00 0.00 H new ATOM 0 HE ARG A 18 17.036 -13.105 3.774 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.645 -15.051 1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.139 -15.574 0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.111 -13.771 2.801 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.154 -14.855 1.406 1.00 0.00 H new ATOM 246 N LYS A 19 20.628 -8.098 3.971 1.00 0.00 N ATOM 247 CA LYS A 19 20.989 -6.793 3.349 1.00 0.00 C ATOM 248 C LYS A 19 21.210 -7.019 1.851 1.00 0.00 C ATOM 249 O LYS A 19 21.902 -7.931 1.446 1.00 0.00 O ATOM 250 CB LYS A 19 22.273 -6.264 4.021 1.00 0.00 C ATOM 251 CG LYS A 19 22.831 -5.025 3.290 1.00 0.00 C ATOM 252 CD LYS A 19 24.291 -4.789 3.703 1.00 0.00 C ATOM 253 CE LYS A 19 24.428 -4.811 5.230 1.00 0.00 C ATOM 254 NZ LYS A 19 24.526 -6.221 5.703 1.00 0.00 N ATOM 0 H LYS A 19 21.291 -8.447 4.663 1.00 0.00 H new ATOM 0 HA LYS A 19 20.196 -6.058 3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.062 -6.009 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.028 -7.050 4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 19 22.768 -5.169 2.211 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.230 -4.148 3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 19 24.928 -5.557 3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 19 24.634 -3.830 3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.313 -4.253 5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 19 23.569 -4.322 5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 23.619 -6.511 6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 24.751 -6.842 4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.277 -6.296 6.419 1.00 0.00 H new ATOM 268 N LEU A 20 20.627 -6.192 1.027 1.00 0.00 N ATOM 269 CA LEU A 20 20.804 -6.357 -0.441 1.00 0.00 C ATOM 270 C LEU A 20 22.224 -5.897 -0.841 1.00 0.00 C ATOM 271 O LEU A 20 22.564 -4.758 -0.591 1.00 0.00 O ATOM 272 CB LEU A 20 19.792 -5.472 -1.173 1.00 0.00 C ATOM 273 CG LEU A 20 18.398 -5.644 -0.566 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.381 -4.922 -1.451 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.039 -7.132 -0.489 1.00 0.00 C ATOM 0 H LEU A 20 20.036 -5.410 1.308 1.00 0.00 H new ATOM 0 HA LEU A 20 20.657 -7.404 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.098 -4.428 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.770 -5.732 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 20 18.385 -5.224 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.383 -5.038 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.632 -3.863 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.402 -5.350 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.045 -7.245 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.049 -7.561 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.767 -7.650 0.135 1.00 0.00 H new ATOM 287 N PRO A 21 23.026 -6.750 -1.461 1.00 0.00 N ATOM 288 CA PRO A 21 24.378 -6.333 -1.875 1.00 0.00 C ATOM 289 C PRO A 21 24.281 -5.081 -2.748 1.00 0.00 C ATOM 290 O PRO A 21 23.356 -4.927 -3.519 1.00 0.00 O ATOM 291 CB PRO A 21 24.938 -7.527 -2.680 1.00 0.00 C ATOM 292 CG PRO A 21 23.945 -8.710 -2.498 1.00 0.00 C ATOM 293 CD PRO A 21 22.687 -8.154 -1.798 1.00 0.00 C ATOM 0 HA PRO A 21 25.022 -6.086 -1.031 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.038 -7.267 -3.734 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.931 -7.800 -2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.686 -9.146 -3.463 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.397 -9.502 -1.902 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.816 -8.204 -2.452 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.447 -8.728 -0.903 1.00 0.00 H new ATOM 301 N ARG A 22 25.231 -4.195 -2.651 1.00 0.00 N ATOM 302 CA ARG A 22 25.184 -2.974 -3.502 1.00 0.00 C ATOM 303 C ARG A 22 24.955 -3.411 -4.954 1.00 0.00 C ATOM 304 O ARG A 22 24.284 -2.751 -5.722 1.00 0.00 O ATOM 305 CB ARG A 22 26.518 -2.210 -3.372 1.00 0.00 C ATOM 306 CG ARG A 22 26.294 -0.703 -3.564 1.00 0.00 C ATOM 307 CD ARG A 22 25.571 -0.443 -4.889 1.00 0.00 C ATOM 308 NE ARG A 22 25.783 0.974 -5.298 1.00 0.00 N ATOM 309 CZ ARG A 22 25.514 1.349 -6.519 1.00 0.00 C ATOM 310 NH1 ARG A 22 25.057 0.482 -7.381 1.00 0.00 N ATOM 311 NH2 ARG A 22 25.701 2.589 -6.877 1.00 0.00 N ATOM 0 H ARG A 22 26.033 -4.262 -2.024 1.00 0.00 H new ATOM 0 HA ARG A 22 24.376 -2.314 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.957 -2.397 -2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.228 -2.576 -4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 22 25.706 -0.306 -2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 22 27.251 -0.181 -3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 22 25.947 -1.116 -5.660 1.00 0.00 H new ATOM 0 HD3 ARG A 22 24.506 -0.646 -4.781 1.00 0.00 H new ATOM 0 HE ARG A 22 26.139 1.651 -4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 22 24.910 -0.488 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 22 24.846 0.774 -8.335 1.00 0.00 H new ATOM 0 HH21 ARG A 22 26.058 3.266 -6.203 1.00 0.00 H new ATOM 0 HH22 ARG A 22 25.491 2.882 -7.831 1.00 0.00 H new ATOM 325 N ASN A 23 25.507 -4.538 -5.324 1.00 0.00 N ATOM 326 CA ASN A 23 25.327 -5.043 -6.715 1.00 0.00 C ATOM 327 C ASN A 23 23.896 -5.554 -6.895 1.00 0.00 C ATOM 328 O ASN A 23 23.602 -6.282 -7.822 1.00 0.00 O ATOM 329 CB ASN A 23 26.312 -6.186 -6.971 1.00 0.00 C ATOM 330 CG ASN A 23 26.218 -6.623 -8.435 1.00 0.00 C ATOM 331 OD1 ASN A 23 26.438 -5.834 -9.331 1.00 0.00 O ATOM 332 ND2 ASN A 23 25.900 -7.858 -8.715 1.00 0.00 N ATOM 0 H ASN A 23 26.076 -5.131 -4.720 1.00 0.00 H new ATOM 0 HA ASN A 23 25.513 -4.234 -7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 23 27.327 -5.863 -6.741 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.088 -7.027 -6.314 1.00 0.00 H new ATOM 0 HD21 ASN A 23 25.836 -8.160 -9.687 1.00 0.00 H new ATOM 0 HD22 ASN A 23 25.715 -8.520 -7.962 1.00 0.00 H new ATOM 339 N PHE A 24 23.003 -5.187 -6.010 1.00 0.00 N ATOM 340 CA PHE A 24 21.585 -5.660 -6.123 1.00 0.00 C ATOM 341 C PHE A 24 20.645 -4.505 -5.758 1.00 0.00 C ATOM 342 O PHE A 24 19.545 -4.710 -5.284 1.00 0.00 O ATOM 343 CB PHE A 24 21.375 -6.838 -5.153 1.00 0.00 C ATOM 344 CG PHE A 24 20.192 -7.683 -5.584 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.203 -8.327 -6.840 1.00 0.00 C ATOM 346 CD2 PHE A 24 19.082 -7.838 -4.727 1.00 0.00 C ATOM 347 CE1 PHE A 24 19.109 -9.120 -7.235 1.00 0.00 C ATOM 348 CE2 PHE A 24 17.989 -8.632 -5.126 1.00 0.00 C ATOM 349 CZ PHE A 24 18.003 -9.273 -6.379 1.00 0.00 C ATOM 0 H PHE A 24 23.193 -4.580 -5.213 1.00 0.00 H new ATOM 0 HA PHE A 24 21.373 -5.988 -7.141 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.274 -7.453 -5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.210 -6.460 -4.144 1.00 0.00 H new ATOM 0 HD1 PHE A 24 21.051 -8.211 -7.498 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.070 -7.348 -3.765 1.00 0.00 H new ATOM 0 HE1 PHE A 24 19.119 -9.612 -8.197 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.139 -8.749 -4.470 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.165 -9.882 -6.683 1.00 0.00 H new ATOM 359 N VAL A 25 21.074 -3.291 -5.985 1.00 0.00 N ATOM 360 CA VAL A 25 20.222 -2.107 -5.666 1.00 0.00 C ATOM 361 C VAL A 25 20.555 -0.981 -6.647 1.00 0.00 C ATOM 362 O VAL A 25 21.418 -0.162 -6.398 1.00 0.00 O ATOM 363 CB VAL A 25 20.508 -1.637 -4.237 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.565 -0.487 -3.880 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.285 -2.792 -3.259 1.00 0.00 C ATOM 0 H VAL A 25 21.987 -3.067 -6.381 1.00 0.00 H new ATOM 0 HA VAL A 25 19.169 -2.377 -5.751 1.00 0.00 H new ATOM 0 HB VAL A 25 21.542 -1.299 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.768 -0.152 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.721 0.340 -4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.532 -0.828 -3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.490 -2.453 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.252 -3.132 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.955 -3.615 -3.509 1.00 0.00 H new ATOM 375 N VAL A 26 19.885 -0.940 -7.768 1.00 0.00 N ATOM 376 CA VAL A 26 20.167 0.121 -8.774 1.00 0.00 C ATOM 377 C VAL A 26 19.388 1.387 -8.427 1.00 0.00 C ATOM 378 O VAL A 26 19.621 2.441 -8.984 1.00 0.00 O ATOM 379 CB VAL A 26 19.738 -0.372 -10.156 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.700 -1.461 -10.629 1.00 0.00 C ATOM 381 CG2 VAL A 26 18.320 -0.945 -10.074 1.00 0.00 C ATOM 0 H VAL A 26 19.152 -1.599 -8.030 1.00 0.00 H new ATOM 0 HA VAL A 26 21.234 0.345 -8.773 1.00 0.00 H new ATOM 0 HB VAL A 26 19.755 0.459 -10.861 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.395 -1.813 -11.614 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.710 -1.055 -10.686 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.682 -2.293 -9.925 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.012 -1.297 -11.059 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.304 -1.777 -9.370 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.633 -0.169 -9.735 1.00 0.00 H new ATOM 391 N ASP A 27 18.463 1.298 -7.515 1.00 0.00 N ATOM 392 CA ASP A 27 17.678 2.506 -7.148 1.00 0.00 C ATOM 393 C ASP A 27 16.845 2.207 -5.907 1.00 0.00 C ATOM 394 O ASP A 27 16.983 1.168 -5.291 1.00 0.00 O ATOM 395 CB ASP A 27 16.748 2.880 -8.305 1.00 0.00 C ATOM 396 CG ASP A 27 16.188 4.285 -8.078 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.926 5.123 -7.586 1.00 0.00 O ATOM 398 OD2 ASP A 27 15.031 4.499 -8.399 1.00 0.00 O ATOM 0 H ASP A 27 18.218 0.446 -7.010 1.00 0.00 H new ATOM 0 HA ASP A 27 18.356 3.334 -6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.292 2.842 -9.249 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.933 2.160 -8.377 1.00 0.00 H new ATOM 403 N TYR A 28 15.977 3.105 -5.532 1.00 0.00 N ATOM 404 CA TYR A 28 15.138 2.858 -4.331 1.00 0.00 C ATOM 405 C TYR A 28 13.859 3.686 -4.410 1.00 0.00 C ATOM 406 O TYR A 28 13.586 4.353 -5.388 1.00 0.00 O ATOM 407 CB TYR A 28 15.917 3.213 -3.059 1.00 0.00 C ATOM 408 CG TYR A 28 16.041 4.716 -2.904 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.753 5.471 -3.857 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.454 5.360 -1.796 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.876 6.864 -3.703 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.578 6.751 -1.639 1.00 0.00 C ATOM 413 CZ TYR A 28 16.289 7.506 -2.594 1.00 0.00 C ATOM 414 OH TYR A 28 16.410 8.873 -2.442 1.00 0.00 O ATOM 0 H TYR A 28 15.814 3.994 -6.004 1.00 0.00 H new ATOM 0 HA TYR A 28 14.874 1.801 -4.297 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.412 2.794 -2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.909 2.764 -3.098 1.00 0.00 H new ATOM 0 HD1 TYR A 28 17.205 4.980 -4.706 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.907 4.783 -1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.421 7.442 -4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.129 7.241 -0.788 1.00 0.00 H new ATOM 0 HH TYR A 28 15.946 9.154 -1.626 1.00 0.00 H new ATOM 424 N TYR A 29 13.070 3.623 -3.383 1.00 0.00 N ATOM 425 CA TYR A 29 11.790 4.372 -3.365 1.00 0.00 C ATOM 426 C TYR A 29 11.323 4.486 -1.909 1.00 0.00 C ATOM 427 O TYR A 29 11.456 3.559 -1.142 1.00 0.00 O ATOM 428 CB TYR A 29 10.771 3.593 -4.212 1.00 0.00 C ATOM 429 CG TYR A 29 9.360 4.025 -3.885 1.00 0.00 C ATOM 430 CD1 TYR A 29 9.015 5.386 -3.944 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.394 3.067 -3.521 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.703 5.794 -3.638 1.00 0.00 C ATOM 433 CE2 TYR A 29 7.081 3.474 -3.215 1.00 0.00 C ATOM 434 CZ TYR A 29 6.735 4.838 -3.273 1.00 0.00 C ATOM 435 OH TYR A 29 5.448 5.237 -2.972 1.00 0.00 O ATOM 0 H TYR A 29 13.259 3.077 -2.543 1.00 0.00 H new ATOM 0 HA TYR A 29 11.902 5.374 -3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.970 3.757 -5.271 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.881 2.524 -4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.757 6.119 -4.224 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.660 2.021 -3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.439 6.840 -3.683 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.339 2.740 -2.936 1.00 0.00 H new ATOM 0 HH TYR A 29 4.908 4.453 -2.742 1.00 0.00 H new ATOM 445 N GLU A 30 10.782 5.608 -1.516 1.00 0.00 N ATOM 446 CA GLU A 30 10.312 5.759 -0.102 1.00 0.00 C ATOM 447 C GLU A 30 8.802 5.501 -0.043 1.00 0.00 C ATOM 448 O GLU A 30 8.097 5.653 -1.020 1.00 0.00 O ATOM 449 CB GLU A 30 10.613 7.178 0.388 1.00 0.00 C ATOM 450 CG GLU A 30 12.100 7.298 0.734 1.00 0.00 C ATOM 451 CD GLU A 30 12.447 8.766 0.986 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.528 9.555 1.140 1.00 0.00 O ATOM 453 OE2 GLU A 30 13.627 9.078 1.020 1.00 0.00 O ATOM 0 H GLU A 30 10.644 6.426 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 30 10.829 5.042 0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.349 7.903 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.006 7.408 1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.328 6.702 1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.707 6.904 -0.081 1.00 0.00 H new ATOM 460 N THR A 31 8.306 5.102 1.096 1.00 0.00 N ATOM 461 CA THR A 31 6.844 4.819 1.224 1.00 0.00 C ATOM 462 C THR A 31 6.048 6.124 1.215 1.00 0.00 C ATOM 463 O THR A 31 6.561 7.180 0.900 1.00 0.00 O ATOM 464 CB THR A 31 6.590 4.088 2.544 1.00 0.00 C ATOM 465 OG1 THR A 31 7.318 4.735 3.570 1.00 0.00 O ATOM 466 CG2 THR A 31 7.046 2.633 2.417 1.00 0.00 C ATOM 0 H THR A 31 8.850 4.959 1.947 1.00 0.00 H new ATOM 0 HA THR A 31 6.526 4.203 0.383 1.00 0.00 H new ATOM 0 HB THR A 31 5.527 4.105 2.783 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.192 5.704 3.499 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.865 2.112 3.357 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.487 2.145 1.618 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.111 2.604 2.185 1.00 0.00 H new ATOM 474 N SER A 32 4.792 6.051 1.563 1.00 0.00 N ATOM 475 CA SER A 32 3.940 7.272 1.584 1.00 0.00 C ATOM 476 C SER A 32 4.142 8.014 2.904 1.00 0.00 C ATOM 477 O SER A 32 5.222 8.037 3.463 1.00 0.00 O ATOM 478 CB SER A 32 2.473 6.866 1.456 1.00 0.00 C ATOM 479 OG SER A 32 1.681 8.029 1.252 1.00 0.00 O ATOM 0 H SER A 32 4.317 5.191 1.836 1.00 0.00 H new ATOM 0 HA SER A 32 4.217 7.922 0.754 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.346 6.175 0.623 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.148 6.344 2.356 1.00 0.00 H new ATOM 0 HG SER A 32 0.739 7.773 1.168 1.00 0.00 H new ATOM 485 N SER A 33 3.103 8.623 3.403 1.00 0.00 N ATOM 486 CA SER A 33 3.204 9.377 4.691 1.00 0.00 C ATOM 487 C SER A 33 1.935 9.139 5.501 1.00 0.00 C ATOM 488 O SER A 33 1.961 9.050 6.713 1.00 0.00 O ATOM 489 CB SER A 33 3.325 10.866 4.387 1.00 0.00 C ATOM 490 OG SER A 33 2.034 11.397 4.124 1.00 0.00 O ATOM 0 H SER A 33 2.178 8.633 2.972 1.00 0.00 H new ATOM 0 HA SER A 33 4.076 9.041 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.780 11.385 5.230 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.977 11.022 3.528 1.00 0.00 H new ATOM 0 HG SER A 33 2.108 12.355 3.930 1.00 0.00 H new ATOM 496 N LEU A 34 0.821 9.048 4.826 1.00 0.00 N ATOM 497 CA LEU A 34 -0.485 8.820 5.514 1.00 0.00 C ATOM 498 C LEU A 34 -0.317 7.823 6.661 1.00 0.00 C ATOM 499 O LEU A 34 -0.635 8.106 7.799 1.00 0.00 O ATOM 500 CB LEU A 34 -1.496 8.256 4.513 1.00 0.00 C ATOM 501 CG LEU A 34 -1.394 8.999 3.181 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.532 8.548 2.263 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.498 10.509 3.425 1.00 0.00 C ATOM 0 H LEU A 34 0.759 9.123 3.811 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.839 9.770 5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.312 7.193 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.506 8.350 4.913 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.436 8.776 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.463 9.076 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.455 7.475 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.489 8.772 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.425 11.037 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.455 10.737 3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.688 10.828 4.080 1.00 0.00 H new ATOM 515 N CYS A 35 0.178 6.657 6.364 1.00 0.00 N ATOM 516 CA CYS A 35 0.364 5.637 7.431 1.00 0.00 C ATOM 517 C CYS A 35 1.494 6.082 8.366 1.00 0.00 C ATOM 518 O CYS A 35 2.569 6.436 7.933 1.00 0.00 O ATOM 519 CB CYS A 35 0.704 4.284 6.794 1.00 0.00 C ATOM 520 SG CYS A 35 1.824 4.528 5.393 1.00 0.00 S ATOM 0 H CYS A 35 0.462 6.365 5.429 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.556 5.534 8.007 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.168 3.631 7.533 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.208 3.790 6.460 1.00 0.00 H new ATOM 525 N SER A 36 1.243 6.090 9.644 1.00 0.00 N ATOM 526 CA SER A 36 2.285 6.525 10.620 1.00 0.00 C ATOM 527 C SER A 36 3.466 5.541 10.646 1.00 0.00 C ATOM 528 O SER A 36 4.089 5.357 11.673 1.00 0.00 O ATOM 529 CB SER A 36 1.666 6.602 12.015 1.00 0.00 C ATOM 530 OG SER A 36 1.491 5.286 12.525 1.00 0.00 O ATOM 0 H SER A 36 0.354 5.812 10.060 1.00 0.00 H new ATOM 0 HA SER A 36 2.657 7.503 10.314 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.309 7.179 12.679 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.707 7.118 11.972 1.00 0.00 H new ATOM 0 HG SER A 36 1.096 5.332 13.421 1.00 0.00 H new ATOM 536 N GLN A 37 3.792 4.901 9.550 1.00 0.00 N ATOM 537 CA GLN A 37 4.941 3.940 9.581 1.00 0.00 C ATOM 538 C GLN A 37 5.580 3.804 8.189 1.00 0.00 C ATOM 539 O GLN A 37 5.519 2.746 7.596 1.00 0.00 O ATOM 540 CB GLN A 37 4.435 2.570 10.040 1.00 0.00 C ATOM 541 CG GLN A 37 3.148 2.219 9.290 1.00 0.00 C ATOM 542 CD GLN A 37 2.830 0.736 9.488 1.00 0.00 C ATOM 543 OE1 GLN A 37 2.802 0.251 10.601 1.00 0.00 O ATOM 544 NE2 GLN A 37 2.588 -0.010 8.446 1.00 0.00 N ATOM 0 H GLN A 37 3.323 4.998 8.650 1.00 0.00 H new ATOM 0 HA GLN A 37 5.694 4.318 10.273 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.194 1.810 9.855 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.250 2.581 11.114 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.323 2.831 9.656 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.262 2.439 8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.611 0.397 7.511 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.375 -1.000 8.566 1.00 0.00 H new ATOM 553 N PRO A 38 6.195 4.865 7.711 1.00 0.00 N ATOM 554 CA PRO A 38 6.867 4.841 6.397 1.00 0.00 C ATOM 555 C PRO A 38 8.127 3.969 6.492 1.00 0.00 C ATOM 556 O PRO A 38 8.475 3.467 7.543 1.00 0.00 O ATOM 557 CB PRO A 38 7.233 6.319 6.118 1.00 0.00 C ATOM 558 CG PRO A 38 6.962 7.118 7.427 1.00 0.00 C ATOM 559 CD PRO A 38 6.266 6.161 8.421 1.00 0.00 C ATOM 0 HA PRO A 38 6.247 4.426 5.602 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.279 6.407 5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.636 6.714 5.296 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.895 7.494 7.847 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.332 7.984 7.224 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.832 6.074 9.348 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.272 6.521 8.687 1.00 0.00 H new ATOM 567 N ALA A 39 8.810 3.798 5.400 1.00 0.00 N ATOM 568 CA ALA A 39 10.046 2.978 5.392 1.00 0.00 C ATOM 569 C ALA A 39 10.749 3.207 4.060 1.00 0.00 C ATOM 570 O ALA A 39 10.198 3.816 3.164 1.00 0.00 O ATOM 571 CB ALA A 39 9.685 1.498 5.533 1.00 0.00 C ATOM 0 H ALA A 39 8.559 4.199 4.497 1.00 0.00 H new ATOM 0 HA ALA A 39 10.695 3.260 6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.596 0.899 5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.154 1.341 6.472 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.048 1.198 4.701 1.00 0.00 H new ATOM 577 N VAL A 40 11.945 2.711 3.901 1.00 0.00 N ATOM 578 CA VAL A 40 12.655 2.891 2.600 1.00 0.00 C ATOM 579 C VAL A 40 12.448 1.623 1.778 1.00 0.00 C ATOM 580 O VAL A 40 12.394 0.530 2.308 1.00 0.00 O ATOM 581 CB VAL A 40 14.152 3.124 2.845 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.929 2.928 1.539 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.360 4.557 3.338 1.00 0.00 C ATOM 0 H VAL A 40 12.461 2.191 4.611 1.00 0.00 H new ATOM 0 HA VAL A 40 12.261 3.757 2.068 1.00 0.00 H new ATOM 0 HB VAL A 40 14.511 2.414 3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.991 3.095 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.778 1.912 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.572 3.638 0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.422 4.731 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.998 5.257 2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.809 4.706 4.266 1.00 0.00 H new ATOM 593 N VAL A 41 12.316 1.769 0.490 1.00 0.00 N ATOM 594 CA VAL A 41 12.088 0.588 -0.402 1.00 0.00 C ATOM 595 C VAL A 41 13.221 0.503 -1.428 1.00 0.00 C ATOM 596 O VAL A 41 13.402 1.387 -2.236 1.00 0.00 O ATOM 597 CB VAL A 41 10.741 0.768 -1.110 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.248 -0.568 -1.656 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.717 1.302 -0.105 1.00 0.00 C ATOM 0 H VAL A 41 12.356 2.666 0.007 1.00 0.00 H new ATOM 0 HA VAL A 41 12.074 -0.334 0.179 1.00 0.00 H new ATOM 0 HB VAL A 41 10.864 1.468 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.290 -0.425 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.974 -0.961 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.127 -1.274 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.755 1.433 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.609 0.593 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.057 2.261 0.286 1.00 0.00 H new ATOM 609 N PHE A 42 14.000 -0.546 -1.397 1.00 0.00 N ATOM 610 CA PHE A 42 15.134 -0.664 -2.364 1.00 0.00 C ATOM 611 C PHE A 42 14.679 -1.364 -3.646 1.00 0.00 C ATOM 612 O PHE A 42 13.988 -2.364 -3.615 1.00 0.00 O ATOM 613 CB PHE A 42 16.266 -1.479 -1.728 1.00 0.00 C ATOM 614 CG PHE A 42 16.990 -0.638 -0.701 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.707 0.506 -1.106 1.00 0.00 C ATOM 616 CD2 PHE A 42 16.956 -0.998 0.660 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.384 1.288 -0.152 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.634 -0.218 1.613 1.00 0.00 C ATOM 619 CZ PHE A 42 18.349 0.926 1.208 1.00 0.00 C ATOM 0 H PHE A 42 13.902 -1.325 -0.746 1.00 0.00 H new ATOM 0 HA PHE A 42 15.484 0.339 -2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.861 -2.375 -1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.964 -1.811 -2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.737 0.783 -2.150 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.408 -1.875 0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.931 2.166 -0.463 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.607 -0.496 2.656 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.870 1.525 1.940 1.00 0.00 H new ATOM 629 N GLN A 43 15.098 -0.854 -4.775 1.00 0.00 N ATOM 630 CA GLN A 43 14.740 -1.480 -6.082 1.00 0.00 C ATOM 631 C GLN A 43 15.943 -2.317 -6.530 1.00 0.00 C ATOM 632 O GLN A 43 17.044 -1.805 -6.639 1.00 0.00 O ATOM 633 CB GLN A 43 14.450 -0.372 -7.098 1.00 0.00 C ATOM 634 CG GLN A 43 13.205 0.404 -6.663 1.00 0.00 C ATOM 635 CD GLN A 43 13.057 1.659 -7.525 1.00 0.00 C ATOM 636 OE1 GLN A 43 12.344 1.654 -8.508 1.00 0.00 O ATOM 637 NE2 GLN A 43 13.707 2.741 -7.196 1.00 0.00 N ATOM 0 H GLN A 43 15.680 -0.020 -4.847 1.00 0.00 H new ATOM 0 HA GLN A 43 13.856 -2.112 -5.997 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.304 0.301 -7.172 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.296 -0.802 -8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.320 -0.224 -6.762 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.285 0.680 -5.611 1.00 0.00 H new ATOM 0 HE21 GLN A 43 14.306 2.745 -6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.616 3.583 -7.764 1.00 0.00 H new ATOM 646 N THR A 44 15.768 -3.607 -6.746 1.00 0.00 N ATOM 647 CA THR A 44 16.952 -4.462 -7.126 1.00 0.00 C ATOM 648 C THR A 44 17.025 -4.703 -8.634 1.00 0.00 C ATOM 649 O THR A 44 16.433 -4.001 -9.428 1.00 0.00 O ATOM 650 CB THR A 44 16.848 -5.816 -6.431 1.00 0.00 C ATOM 651 OG1 THR A 44 15.986 -6.656 -7.180 1.00 0.00 O ATOM 652 CG2 THR A 44 16.284 -5.626 -5.021 1.00 0.00 C ATOM 0 H THR A 44 14.876 -4.098 -6.678 1.00 0.00 H new ATOM 0 HA THR A 44 17.850 -3.928 -6.815 1.00 0.00 H new ATOM 0 HB THR A 44 17.836 -6.272 -6.363 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.264 -7.590 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.210 -6.594 -4.525 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.945 -4.975 -4.449 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.294 -5.174 -5.083 1.00 0.00 H new ATOM 660 N LYS A 45 17.774 -5.713 -9.017 1.00 0.00 N ATOM 661 CA LYS A 45 17.941 -6.056 -10.462 1.00 0.00 C ATOM 662 C LYS A 45 17.181 -7.348 -10.778 1.00 0.00 C ATOM 663 O LYS A 45 16.853 -7.617 -11.916 1.00 0.00 O ATOM 664 CB LYS A 45 19.431 -6.275 -10.765 1.00 0.00 C ATOM 665 CG LYS A 45 20.275 -5.177 -10.115 1.00 0.00 C ATOM 666 CD LYS A 45 21.758 -5.463 -10.375 1.00 0.00 C ATOM 667 CE LYS A 45 22.610 -4.275 -9.920 1.00 0.00 C ATOM 668 NZ LYS A 45 24.017 -4.722 -9.723 1.00 0.00 N ATOM 0 H LYS A 45 18.283 -6.322 -8.376 1.00 0.00 H new ATOM 0 HA LYS A 45 17.550 -5.240 -11.070 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.744 -7.251 -10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.593 -6.277 -11.843 1.00 0.00 H new ATOM 0 HG2 LYS A 45 20.003 -4.203 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 45 20.082 -5.139 -9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.062 -6.364 -9.842 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.920 -5.651 -11.436 1.00 0.00 H new ATOM 0 HE2 LYS A 45 22.570 -3.479 -10.664 1.00 0.00 H new ATOM 0 HE3 LYS A 45 22.214 -3.864 -8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 24.550 -3.981 -9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 24.028 -5.595 -9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.457 -4.903 -10.648 1.00 0.00 H new ATOM 682 N ARG A 46 16.904 -8.158 -9.778 1.00 0.00 N ATOM 683 CA ARG A 46 16.169 -9.443 -10.019 1.00 0.00 C ATOM 684 C ARG A 46 15.041 -9.550 -8.990 1.00 0.00 C ATOM 685 O ARG A 46 14.932 -10.504 -8.250 1.00 0.00 O ATOM 686 CB ARG A 46 17.144 -10.630 -9.871 1.00 0.00 C ATOM 687 CG ARG A 46 16.634 -11.869 -10.643 1.00 0.00 C ATOM 688 CD ARG A 46 15.466 -12.546 -9.911 1.00 0.00 C ATOM 689 NE ARG A 46 15.783 -12.713 -8.453 1.00 0.00 N ATOM 690 CZ ARG A 46 16.858 -13.338 -8.048 1.00 0.00 C ATOM 691 NH1 ARG A 46 17.592 -14.012 -8.890 1.00 0.00 N ATOM 692 NH2 ARG A 46 17.166 -13.339 -6.780 1.00 0.00 N ATOM 0 H ARG A 46 17.156 -7.983 -8.805 1.00 0.00 H new ATOM 0 HA ARG A 46 15.752 -9.462 -11.026 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.128 -10.345 -10.244 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.262 -10.878 -8.816 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.315 -11.571 -11.642 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.449 -12.582 -10.768 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.562 -11.948 -10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.264 -13.519 -10.359 1.00 0.00 H new ATOM 0 HE ARG A 46 15.142 -12.328 -7.759 1.00 0.00 H new ATOM 0 HH11 ARG A 46 17.329 -14.055 -9.875 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.429 -14.496 -8.564 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.569 -12.854 -6.110 1.00 0.00 H new ATOM 0 HH22 ARG A 46 18.003 -13.825 -6.459 1.00 0.00 H new ATOM 706 N SER A 47 14.201 -8.564 -8.944 1.00 0.00 N ATOM 707 CA SER A 47 13.067 -8.580 -7.996 1.00 0.00 C ATOM 708 C SER A 47 12.158 -7.414 -8.356 1.00 0.00 C ATOM 709 O SER A 47 11.686 -7.301 -9.470 1.00 0.00 O ATOM 710 CB SER A 47 13.573 -8.459 -6.552 1.00 0.00 C ATOM 711 OG SER A 47 13.942 -7.116 -6.275 1.00 0.00 O ATOM 0 H SER A 47 14.254 -7.734 -9.534 1.00 0.00 H new ATOM 0 HA SER A 47 12.519 -9.520 -8.065 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.797 -8.781 -5.858 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.428 -9.118 -6.402 1.00 0.00 H new ATOM 0 HG SER A 47 14.738 -6.881 -6.796 1.00 0.00 H new ATOM 717 N LYS A 48 11.926 -6.538 -7.441 1.00 0.00 N ATOM 718 CA LYS A 48 11.074 -5.367 -7.728 1.00 0.00 C ATOM 719 C LYS A 48 11.347 -4.317 -6.663 1.00 0.00 C ATOM 720 O LYS A 48 12.235 -3.498 -6.794 1.00 0.00 O ATOM 721 CB LYS A 48 9.601 -5.782 -7.697 1.00 0.00 C ATOM 722 CG LYS A 48 8.714 -4.550 -7.907 1.00 0.00 C ATOM 723 CD LYS A 48 7.306 -4.986 -8.328 1.00 0.00 C ATOM 724 CE LYS A 48 6.627 -5.735 -7.178 1.00 0.00 C ATOM 725 NZ LYS A 48 7.168 -7.121 -7.099 1.00 0.00 N ATOM 0 H LYS A 48 12.294 -6.581 -6.491 1.00 0.00 H new ATOM 0 HA LYS A 48 11.296 -4.964 -8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.405 -6.520 -8.474 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.366 -6.253 -6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.664 -3.966 -6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.148 -3.905 -8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.714 -4.114 -8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.362 -5.627 -9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.799 -5.212 -6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.549 -5.763 -7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.392 -7.786 -6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.622 -7.369 -8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.869 -7.177 -6.333 1.00 0.00 H new ATOM 739 N GLN A 49 10.591 -4.360 -5.598 1.00 0.00 N ATOM 740 CA GLN A 49 10.770 -3.395 -4.478 1.00 0.00 C ATOM 741 C GLN A 49 10.946 -4.192 -3.177 1.00 0.00 C ATOM 742 O GLN A 49 10.330 -5.226 -2.986 1.00 0.00 O ATOM 743 CB GLN A 49 9.507 -2.514 -4.397 1.00 0.00 C ATOM 744 CG GLN A 49 9.722 -1.202 -5.163 1.00 0.00 C ATOM 745 CD GLN A 49 8.484 -0.315 -5.014 1.00 0.00 C ATOM 746 OE1 GLN A 49 8.462 0.802 -5.491 1.00 0.00 O ATOM 747 NE2 GLN A 49 7.446 -0.770 -4.366 1.00 0.00 N ATOM 0 H GLN A 49 9.842 -5.038 -5.456 1.00 0.00 H new ATOM 0 HA GLN A 49 11.644 -2.763 -4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.654 -3.050 -4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.271 -2.300 -3.355 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.601 -0.685 -4.780 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.909 -1.410 -6.217 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.466 -1.708 -3.966 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.615 -0.187 -4.260 1.00 0.00 H new ATOM 756 N VAL A 50 11.781 -3.723 -2.281 1.00 0.00 N ATOM 757 CA VAL A 50 11.996 -4.451 -0.988 1.00 0.00 C ATOM 758 C VAL A 50 11.962 -3.445 0.155 1.00 0.00 C ATOM 759 O VAL A 50 12.713 -2.495 0.176 1.00 0.00 O ATOM 760 CB VAL A 50 13.361 -5.163 -1.005 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.358 -6.300 0.024 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.635 -5.723 -2.407 1.00 0.00 C ATOM 0 H VAL A 50 12.324 -2.866 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 50 11.211 -5.195 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 50 14.146 -4.451 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.324 -6.804 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.174 -5.891 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.573 -7.014 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.602 -6.226 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.853 -6.434 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.645 -4.907 -3.129 1.00 0.00 H new ATOM 772 N CYS A 51 11.100 -3.651 1.106 1.00 0.00 N ATOM 773 CA CYS A 51 11.012 -2.704 2.248 1.00 0.00 C ATOM 774 C CYS A 51 12.233 -2.883 3.146 1.00 0.00 C ATOM 775 O CYS A 51 12.786 -3.960 3.252 1.00 0.00 O ATOM 776 CB CYS A 51 9.744 -2.997 3.048 1.00 0.00 C ATOM 777 SG CYS A 51 8.291 -2.681 2.016 1.00 0.00 S ATOM 0 H CYS A 51 10.450 -4.436 1.142 1.00 0.00 H new ATOM 0 HA CYS A 51 10.980 -1.680 1.876 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.745 -4.034 3.385 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.712 -2.372 3.940 1.00 0.00 H new ATOM 782 N ALA A 52 12.665 -1.829 3.787 1.00 0.00 N ATOM 783 CA ALA A 52 13.862 -1.925 4.675 1.00 0.00 C ATOM 784 C ALA A 52 13.656 -1.040 5.907 1.00 0.00 C ATOM 785 O ALA A 52 13.233 0.096 5.807 1.00 0.00 O ATOM 786 CB ALA A 52 15.098 -1.448 3.909 1.00 0.00 C ATOM 0 H ALA A 52 12.240 -0.903 3.734 1.00 0.00 H new ATOM 0 HA ALA A 52 14.001 -2.959 4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.974 -1.516 4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.245 -2.074 3.029 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.956 -0.413 3.598 1.00 0.00 H new ATOM 792 N ASP A 53 13.949 -1.556 7.070 1.00 0.00 N ATOM 793 CA ASP A 53 13.770 -0.756 8.314 1.00 0.00 C ATOM 794 C ASP A 53 14.809 0.394 8.339 1.00 0.00 C ATOM 795 O ASP A 53 15.991 0.114 8.344 1.00 0.00 O ATOM 796 CB ASP A 53 14.010 -1.665 9.523 1.00 0.00 C ATOM 797 CG ASP A 53 15.255 -2.519 9.280 1.00 0.00 C ATOM 798 OD1 ASP A 53 15.951 -2.255 8.314 1.00 0.00 O ATOM 799 OD2 ASP A 53 15.491 -3.424 10.063 1.00 0.00 O ATOM 0 H ASP A 53 14.306 -2.501 7.212 1.00 0.00 H new ATOM 0 HA ASP A 53 12.762 -0.342 8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.138 -1.064 10.423 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.143 -2.305 9.688 1.00 0.00 H new ATOM 804 N PRO A 54 14.379 1.651 8.358 1.00 0.00 N ATOM 805 CA PRO A 54 15.341 2.774 8.384 1.00 0.00 C ATOM 806 C PRO A 54 16.204 2.696 9.654 1.00 0.00 C ATOM 807 O PRO A 54 17.134 3.458 9.832 1.00 0.00 O ATOM 808 CB PRO A 54 14.471 4.052 8.386 1.00 0.00 C ATOM 809 CG PRO A 54 12.981 3.608 8.365 1.00 0.00 C ATOM 810 CD PRO A 54 12.955 2.063 8.350 1.00 0.00 C ATOM 0 HA PRO A 54 16.024 2.757 7.535 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.678 4.655 9.270 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.698 4.671 7.518 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.455 3.992 9.239 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.474 4.008 7.487 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.426 1.669 9.218 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.441 1.686 7.466 1.00 0.00 H new ATOM 818 N SER A 55 15.888 1.797 10.540 1.00 0.00 N ATOM 819 CA SER A 55 16.671 1.684 11.804 1.00 0.00 C ATOM 820 C SER A 55 18.006 0.982 11.536 1.00 0.00 C ATOM 821 O SER A 55 18.940 1.102 12.303 1.00 0.00 O ATOM 822 CB SER A 55 15.870 0.875 12.825 1.00 0.00 C ATOM 823 OG SER A 55 16.744 0.412 13.847 1.00 0.00 O ATOM 0 H SER A 55 15.120 1.133 10.445 1.00 0.00 H new ATOM 0 HA SER A 55 16.866 2.683 12.193 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.081 1.491 13.257 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.384 0.031 12.336 1.00 0.00 H new ATOM 0 HG SER A 55 16.234 -0.106 14.504 1.00 0.00 H new ATOM 829 N GLU A 56 18.111 0.255 10.457 1.00 0.00 N ATOM 830 CA GLU A 56 19.396 -0.441 10.157 1.00 0.00 C ATOM 831 C GLU A 56 20.368 0.554 9.516 1.00 0.00 C ATOM 832 O GLU A 56 20.107 1.123 8.474 1.00 0.00 O ATOM 833 CB GLU A 56 19.135 -1.610 9.204 1.00 0.00 C ATOM 834 CG GLU A 56 18.600 -2.811 9.989 1.00 0.00 C ATOM 835 CD GLU A 56 18.400 -3.994 9.040 1.00 0.00 C ATOM 836 OE1 GLU A 56 19.376 -4.662 8.743 1.00 0.00 O ATOM 837 OE2 GLU A 56 17.273 -4.210 8.625 1.00 0.00 O ATOM 0 H GLU A 56 17.368 0.113 9.773 1.00 0.00 H new ATOM 0 HA GLU A 56 19.832 -0.828 11.078 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.416 -1.314 8.440 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.055 -1.882 8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.298 -3.081 10.781 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.656 -2.553 10.470 1.00 0.00 H new ATOM 844 N SER A 57 21.479 0.776 10.156 1.00 0.00 N ATOM 845 CA SER A 57 22.487 1.743 9.635 1.00 0.00 C ATOM 846 C SER A 57 22.801 1.488 8.157 1.00 0.00 C ATOM 847 O SER A 57 22.971 2.416 7.391 1.00 0.00 O ATOM 848 CB SER A 57 23.772 1.614 10.451 1.00 0.00 C ATOM 849 OG SER A 57 23.544 2.098 11.767 1.00 0.00 O ATOM 0 H SER A 57 21.737 0.322 11.032 1.00 0.00 H new ATOM 0 HA SER A 57 22.074 2.748 9.725 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.092 0.573 10.485 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.575 2.179 9.978 1.00 0.00 H new ATOM 0 HG SER A 57 24.367 2.015 12.293 1.00 0.00 H new ATOM 855 N TRP A 58 22.908 0.255 7.744 1.00 0.00 N ATOM 856 CA TRP A 58 23.244 0.000 6.314 1.00 0.00 C ATOM 857 C TRP A 58 22.162 0.592 5.418 1.00 0.00 C ATOM 858 O TRP A 58 22.425 1.014 4.312 1.00 0.00 O ATOM 859 CB TRP A 58 23.425 -1.502 6.054 1.00 0.00 C ATOM 860 CG TRP A 58 22.112 -2.221 5.977 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.618 -3.023 6.948 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.144 -2.256 4.885 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.413 -3.552 6.524 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.071 -3.106 5.267 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.087 -1.641 3.612 1.00 0.00 C ATOM 866 CZ2 TRP A 58 18.979 -3.338 4.418 1.00 0.00 C ATOM 867 CZ3 TRP A 58 19.990 -1.874 2.755 1.00 0.00 C ATOM 868 CH2 TRP A 58 18.937 -2.720 3.160 1.00 0.00 C ATOM 0 H TRP A 58 22.780 -0.575 8.323 1.00 0.00 H new ATOM 0 HA TRP A 58 24.191 0.486 6.080 1.00 0.00 H new ATOM 0 HB2 TRP A 58 23.972 -1.645 5.122 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.031 -1.937 6.849 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.089 -3.218 7.900 1.00 0.00 H new ATOM 0 HE1 TRP A 58 19.846 -4.195 7.076 1.00 0.00 H new ATOM 0 HE3 TRP A 58 21.888 -0.989 3.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.176 -3.988 4.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 19.957 -1.402 1.784 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.098 -2.892 2.501 1.00 0.00 H new ATOM 879 N VAL A 59 20.955 0.661 5.889 1.00 0.00 N ATOM 880 CA VAL A 59 19.881 1.254 5.053 1.00 0.00 C ATOM 881 C VAL A 59 20.174 2.737 4.871 1.00 0.00 C ATOM 882 O VAL A 59 20.116 3.264 3.779 1.00 0.00 O ATOM 883 CB VAL A 59 18.537 1.065 5.750 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.424 1.716 4.925 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.273 -0.433 5.887 1.00 0.00 C ATOM 0 H VAL A 59 20.665 0.335 6.811 1.00 0.00 H new ATOM 0 HA VAL A 59 19.843 0.766 4.079 1.00 0.00 H new ATOM 0 HB VAL A 59 18.558 1.534 6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.468 1.576 5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.626 2.782 4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.384 1.254 3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.315 -0.590 6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.248 -0.890 4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.067 -0.890 6.478 1.00 0.00 H new ATOM 895 N GLN A 60 20.510 3.413 5.931 1.00 0.00 N ATOM 896 CA GLN A 60 20.829 4.861 5.807 1.00 0.00 C ATOM 897 C GLN A 60 22.089 5.026 4.951 1.00 0.00 C ATOM 898 O GLN A 60 22.198 5.936 4.154 1.00 0.00 O ATOM 899 CB GLN A 60 21.069 5.456 7.195 1.00 0.00 C ATOM 900 CG GLN A 60 21.180 6.978 7.088 1.00 0.00 C ATOM 901 CD GLN A 60 21.607 7.556 8.439 1.00 0.00 C ATOM 902 OE1 GLN A 60 21.131 8.598 8.845 1.00 0.00 O ATOM 903 NE2 GLN A 60 22.489 6.918 9.158 1.00 0.00 N ATOM 0 H GLN A 60 20.578 3.029 6.874 1.00 0.00 H new ATOM 0 HA GLN A 60 19.995 5.381 5.335 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.251 5.187 7.864 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.982 5.044 7.626 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.905 7.247 6.320 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.223 7.402 6.785 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.888 6.044 8.817 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.779 7.294 10.061 1.00 0.00 H new ATOM 912 N GLU A 61 23.041 4.149 5.117 1.00 0.00 N ATOM 913 CA GLU A 61 24.301 4.244 4.322 1.00 0.00 C ATOM 914 C GLU A 61 24.003 4.012 2.838 1.00 0.00 C ATOM 915 O GLU A 61 24.424 4.768 1.986 1.00 0.00 O ATOM 916 CB GLU A 61 25.293 3.187 4.811 1.00 0.00 C ATOM 917 CG GLU A 61 26.642 3.393 4.121 1.00 0.00 C ATOM 918 CD GLU A 61 27.655 2.386 4.668 1.00 0.00 C ATOM 919 OE1 GLU A 61 28.154 2.608 5.759 1.00 0.00 O ATOM 920 OE2 GLU A 61 27.916 1.409 3.985 1.00 0.00 O ATOM 0 H GLU A 61 23.001 3.367 5.771 1.00 0.00 H new ATOM 0 HA GLU A 61 24.729 5.238 4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.411 3.257 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 61 24.912 2.189 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.534 3.267 3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 61 26.997 4.410 4.289 1.00 0.00 H new ATOM 927 N TYR A 62 23.286 2.971 2.524 1.00 0.00 N ATOM 928 CA TYR A 62 22.967 2.684 1.095 1.00 0.00 C ATOM 929 C TYR A 62 22.144 3.839 0.512 1.00 0.00 C ATOM 930 O TYR A 62 22.305 4.207 -0.634 1.00 0.00 O ATOM 931 CB TYR A 62 22.166 1.375 0.992 1.00 0.00 C ATOM 932 CG TYR A 62 23.094 0.170 1.021 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.070 0.036 2.033 1.00 0.00 C ATOM 934 CD2 TYR A 62 22.973 -0.828 0.031 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.916 -1.091 2.050 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.820 -1.950 0.050 1.00 0.00 C ATOM 937 CZ TYR A 62 24.793 -2.082 1.059 1.00 0.00 C ATOM 938 OH TYR A 62 25.622 -3.184 1.077 1.00 0.00 O ATOM 0 H TYR A 62 22.905 2.304 3.195 1.00 0.00 H new ATOM 0 HA TYR A 62 23.895 2.580 0.533 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.456 1.312 1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.585 1.370 0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.168 0.797 2.793 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.227 -0.730 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.660 -1.194 2.826 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.724 -2.711 -0.710 1.00 0.00 H new ATOM 0 HH TYR A 62 25.403 -3.770 0.323 1.00 0.00 H new ATOM 948 N VAL A 63 21.271 4.419 1.289 1.00 0.00 N ATOM 949 CA VAL A 63 20.459 5.549 0.768 1.00 0.00 C ATOM 950 C VAL A 63 21.391 6.718 0.491 1.00 0.00 C ATOM 951 O VAL A 63 21.267 7.409 -0.499 1.00 0.00 O ATOM 952 CB VAL A 63 19.413 5.949 1.812 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.744 7.266 1.404 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.351 4.850 1.914 1.00 0.00 C ATOM 0 H VAL A 63 21.087 4.159 2.258 1.00 0.00 H new ATOM 0 HA VAL A 63 19.946 5.258 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 63 19.902 6.080 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 63 18.001 7.544 2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.498 8.050 1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.257 7.142 0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.605 5.133 2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.868 4.720 0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.823 3.914 2.212 1.00 0.00 H new ATOM 964 N TYR A 64 22.329 6.937 1.364 1.00 0.00 N ATOM 965 CA TYR A 64 23.280 8.056 1.165 1.00 0.00 C ATOM 966 C TYR A 64 24.073 7.817 -0.117 1.00 0.00 C ATOM 967 O TYR A 64 24.286 8.711 -0.909 1.00 0.00 O ATOM 968 CB TYR A 64 24.238 8.121 2.358 1.00 0.00 C ATOM 969 CG TYR A 64 24.902 9.479 2.409 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.159 10.610 2.802 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.261 9.617 2.064 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.775 11.876 2.850 1.00 0.00 C ATOM 973 CE2 TYR A 64 26.876 10.882 2.112 1.00 0.00 C ATOM 974 CZ TYR A 64 26.133 12.012 2.505 1.00 0.00 C ATOM 975 OH TYR A 64 26.735 13.252 2.552 1.00 0.00 O ATOM 0 H TYR A 64 22.477 6.386 2.210 1.00 0.00 H new ATOM 0 HA TYR A 64 22.735 8.997 1.086 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.693 7.938 3.284 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.993 7.340 2.273 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.117 10.506 3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.832 8.751 1.762 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.205 12.742 3.152 1.00 0.00 H new ATOM 0 HE2 TYR A 64 27.918 10.986 1.847 1.00 0.00 H new ATOM 0 HH TYR A 64 27.674 13.170 2.285 1.00 0.00 H new ATOM 985 N ASP A 65 24.508 6.608 -0.318 1.00 0.00 N ATOM 986 CA ASP A 65 25.293 6.287 -1.543 1.00 0.00 C ATOM 987 C ASP A 65 24.436 6.555 -2.783 1.00 0.00 C ATOM 988 O ASP A 65 24.927 6.969 -3.814 1.00 0.00 O ATOM 989 CB ASP A 65 25.696 4.809 -1.504 1.00 0.00 C ATOM 990 CG ASP A 65 26.904 4.626 -0.580 1.00 0.00 C ATOM 991 OD1 ASP A 65 26.716 4.673 0.625 1.00 0.00 O ATOM 992 OD2 ASP A 65 27.995 4.443 -1.093 1.00 0.00 O ATOM 0 H ASP A 65 24.354 5.823 0.315 1.00 0.00 H new ATOM 0 HA ASP A 65 26.187 6.910 -1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.861 4.204 -1.151 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.939 4.462 -2.508 1.00 0.00 H new ATOM 997 N LEU A 66 23.160 6.318 -2.688 1.00 0.00 N ATOM 998 CA LEU A 66 22.262 6.555 -3.852 1.00 0.00 C ATOM 999 C LEU A 66 22.096 8.061 -4.071 1.00 0.00 C ATOM 1000 O LEU A 66 21.912 8.522 -5.180 1.00 0.00 O ATOM 1001 CB LEU A 66 20.900 5.910 -3.563 1.00 0.00 C ATOM 1002 CG LEU A 66 20.957 4.393 -3.849 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.846 3.678 -3.077 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.753 4.126 -5.350 1.00 0.00 C ATOM 0 H LEU A 66 22.696 5.968 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 66 22.690 6.115 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.622 6.081 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 66 20.131 6.375 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 66 21.933 4.021 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.891 2.608 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.978 3.848 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.877 4.067 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.795 3.053 -5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.781 4.510 -5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.538 4.625 -5.918 1.00 0.00 H new ATOM 1016 N GLU A 67 22.165 8.831 -3.023 1.00 0.00 N ATOM 1017 CA GLU A 67 22.019 10.308 -3.171 1.00 0.00 C ATOM 1018 C GLU A 67 23.286 10.876 -3.808 1.00 0.00 C ATOM 1019 O GLU A 67 23.260 11.889 -4.477 1.00 0.00 O ATOM 1020 CB GLU A 67 21.819 10.941 -1.794 1.00 0.00 C ATOM 1021 CG GLU A 67 20.439 10.569 -1.261 1.00 0.00 C ATOM 1022 CD GLU A 67 20.150 11.362 0.015 1.00 0.00 C ATOM 1023 OE1 GLU A 67 20.900 11.210 0.966 1.00 0.00 O ATOM 1024 OE2 GLU A 67 19.185 12.109 0.020 1.00 0.00 O ATOM 0 H GLU A 67 22.316 8.503 -2.069 1.00 0.00 H new ATOM 0 HA GLU A 67 21.158 10.529 -3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.592 10.595 -1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.915 12.025 -1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.679 10.781 -2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.394 9.500 -1.055 1.00 0.00 H new ATOM 1116 N SER B 5 10.667 -10.105 -4.103 1.00 0.00 N ATOM 1117 CA SER B 5 11.403 -9.899 -2.826 1.00 0.00 C ATOM 1118 C SER B 5 10.412 -9.566 -1.698 1.00 0.00 C ATOM 1119 O SER B 5 9.839 -10.445 -1.086 1.00 0.00 O ATOM 1120 CB SER B 5 12.385 -8.748 -3.032 1.00 0.00 C ATOM 1121 OG SER B 5 11.812 -7.828 -3.951 1.00 0.00 O ATOM 0 HA SER B 5 11.942 -10.803 -2.544 1.00 0.00 H new ATOM 0 HB2 SER B 5 12.595 -8.255 -2.083 1.00 0.00 H new ATOM 0 HB3 SER B 5 13.335 -9.123 -3.414 1.00 0.00 H new ATOM 0 HG SER B 5 11.063 -8.255 -4.417 1.00 0.00 H new ATOM 1127 N ASP B 6 10.209 -8.301 -1.412 1.00 0.00 N ATOM 1128 CA ASP B 6 9.258 -7.924 -0.317 1.00 0.00 C ATOM 1129 C ASP B 6 8.747 -6.493 -0.546 1.00 0.00 C ATOM 1130 O ASP B 6 9.081 -5.602 0.209 1.00 0.00 O ATOM 1131 CB ASP B 6 9.978 -7.986 1.037 1.00 0.00 C ATOM 1132 CG ASP B 6 10.815 -9.264 1.121 1.00 0.00 C ATOM 1133 OD1 ASP B 6 10.242 -10.306 1.392 1.00 0.00 O ATOM 1134 OD2 ASP B 6 12.014 -9.178 0.912 1.00 0.00 O ATOM 0 H ASP B 6 10.658 -7.517 -1.886 1.00 0.00 H new ATOM 0 HA ASP B 6 8.419 -8.620 -0.320 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.618 -7.112 1.159 1.00 0.00 H new ATOM 0 HB3 ASP B 6 9.250 -7.963 1.848 1.00 0.00 H new ATOM 1139 N PRO B 7 7.954 -6.303 -1.580 1.00 0.00 N ATOM 1140 CA PRO B 7 7.410 -4.968 -1.896 1.00 0.00 C ATOM 1141 C PRO B 7 6.468 -4.499 -0.763 1.00 0.00 C ATOM 1142 O PRO B 7 6.091 -5.290 0.079 1.00 0.00 O ATOM 1143 CB PRO B 7 6.642 -5.159 -3.227 1.00 0.00 C ATOM 1144 CG PRO B 7 6.714 -6.671 -3.598 1.00 0.00 C ATOM 1145 CD PRO B 7 7.546 -7.381 -2.506 1.00 0.00 C ATOM 0 HA PRO B 7 8.184 -4.206 -1.988 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.605 -4.840 -3.120 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.084 -4.550 -4.015 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.713 -7.099 -3.656 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.174 -6.804 -4.577 1.00 0.00 H new ATOM 0 HD2 PRO B 7 6.958 -8.142 -1.993 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.413 -7.884 -2.934 1.00 0.00 H new ATOM 1153 N PRO B 8 6.109 -3.228 -0.776 1.00 0.00 N ATOM 1154 CA PRO B 8 5.205 -2.665 0.250 1.00 0.00 C ATOM 1155 C PRO B 8 3.843 -3.375 0.197 1.00 0.00 C ATOM 1156 O PRO B 8 3.725 -4.481 -0.293 1.00 0.00 O ATOM 1157 CB PRO B 8 5.073 -1.166 -0.118 1.00 0.00 C ATOM 1158 CG PRO B 8 5.813 -0.952 -1.470 1.00 0.00 C ATOM 1159 CD PRO B 8 6.566 -2.260 -1.798 1.00 0.00 C ATOM 0 HA PRO B 8 5.583 -2.796 1.264 1.00 0.00 H new ATOM 0 HB2 PRO B 8 4.024 -0.883 -0.206 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.508 -0.540 0.661 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.104 -0.709 -2.261 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.509 -0.116 -1.398 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.333 -2.608 -2.804 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.646 -2.117 -1.752 1.00 0.00 H new ATOM 1167 N THR B 9 2.813 -2.742 0.697 1.00 0.00 N ATOM 1168 CA THR B 9 1.460 -3.372 0.678 1.00 0.00 C ATOM 1169 C THR B 9 0.389 -2.282 0.699 1.00 0.00 C ATOM 1170 O THR B 9 0.396 -1.403 1.538 1.00 0.00 O ATOM 1171 CB THR B 9 1.297 -4.267 1.906 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.466 -5.059 2.071 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.080 -5.178 1.725 1.00 0.00 C ATOM 0 H THR B 9 2.851 -1.814 1.118 1.00 0.00 H new ATOM 0 HA THR B 9 1.352 -3.971 -0.226 1.00 0.00 H new ATOM 0 HB THR B 9 1.150 -3.646 2.789 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.453 -5.482 2.955 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.032 -5.814 2.603 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.815 -4.569 1.602 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.220 -5.801 0.841 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.532 -2.339 -0.219 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.610 -1.314 -0.263 1.00 0.00 C ATOM 1183 C ALA B 10 -2.537 -1.489 0.940 1.00 0.00 C ATOM 1184 O ALA B 10 -3.589 -2.089 0.841 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.412 -1.488 -1.551 1.00 0.00 C ATOM 0 H ALA B 10 -0.585 -3.054 -0.944 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.168 -0.318 -0.234 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.204 -0.740 -1.590 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.753 -1.364 -2.410 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.853 -2.485 -1.573 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.158 -0.957 2.076 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.013 -1.072 3.299 1.00 0.00 C ATOM 1193 C CYS B 11 -3.611 0.302 3.604 1.00 0.00 C ATOM 1194 O CYS B 11 -2.945 1.313 3.509 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.153 -1.529 4.481 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.313 -3.077 4.055 1.00 0.00 S ATOM 0 H CYS B 11 -1.286 -0.444 2.210 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.809 -1.798 3.134 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.420 -0.761 4.729 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.776 -1.672 5.364 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.866 0.351 3.957 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.500 1.666 4.253 1.00 0.00 C ATOM 1203 C CYS B 12 -4.980 2.200 5.587 1.00 0.00 C ATOM 1204 O CYS B 12 -4.751 1.455 6.520 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.020 1.497 4.327 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.656 1.041 2.695 1.00 0.00 S ATOM 0 H CYS B 12 -5.478 -0.460 4.053 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.251 2.372 3.461 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.276 0.729 5.057 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.484 2.424 4.664 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.798 3.492 5.686 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.300 4.099 6.958 1.00 0.00 C ATOM 1213 C PHE B 13 -5.481 4.732 7.694 1.00 0.00 C ATOM 1214 O PHE B 13 -5.435 4.971 8.885 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.268 5.181 6.632 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.940 6.302 5.878 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.208 6.164 4.503 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.304 7.484 6.552 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.840 7.207 3.801 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.936 8.528 5.850 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.204 8.389 4.475 1.00 0.00 C ATOM 0 H PHE B 13 -4.974 4.158 4.934 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.838 3.334 7.582 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.821 5.562 7.550 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.459 4.760 6.035 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.929 5.257 3.987 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.098 7.589 7.607 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.046 7.101 2.746 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.215 9.435 6.366 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.689 9.190 3.936 1.00 0.00 H new ATOM 1231 N SER B 14 -6.541 5.003 6.983 1.00 0.00 N ATOM 1232 CA SER B 14 -7.738 5.620 7.615 1.00 0.00 C ATOM 1233 C SER B 14 -8.966 5.298 6.764 1.00 0.00 C ATOM 1234 O SER B 14 -9.036 4.264 6.130 1.00 0.00 O ATOM 1235 CB SER B 14 -7.553 7.135 7.696 1.00 0.00 C ATOM 1236 OG SER B 14 -7.499 7.672 6.381 1.00 0.00 O ATOM 0 H SER B 14 -6.628 4.821 5.983 1.00 0.00 H new ATOM 0 HA SER B 14 -7.870 5.223 8.622 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.376 7.584 8.251 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.637 7.373 8.236 1.00 0.00 H new ATOM 0 HG SER B 14 -6.613 7.508 5.997 1.00 0.00 H new ATOM 1242 N TYR B 15 -9.937 6.170 6.742 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.161 5.905 5.929 1.00 0.00 C ATOM 1244 C TYR B 15 -11.812 7.232 5.541 1.00 0.00 C ATOM 1245 O TYR B 15 -11.545 8.258 6.134 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.152 5.076 6.756 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.410 4.003 7.516 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -11.065 2.797 6.877 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -11.062 4.210 8.865 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.372 1.798 7.587 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.370 3.211 9.575 1.00 0.00 C ATOM 1252 CZ TYR B 15 -10.024 2.005 8.936 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.346 1.026 9.632 1.00 0.00 O ATOM 0 H TYR B 15 -9.937 7.054 7.251 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.887 5.356 5.028 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.689 5.721 7.451 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.896 4.623 6.101 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.332 2.638 5.843 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.326 5.136 9.355 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -10.107 0.873 7.097 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -10.104 3.369 10.610 1.00 0.00 H new ATOM 0 HH TYR B 15 -9.183 1.330 10.549 1.00 0.00 H new ATOM 1263 N THR B 16 -12.668 7.222 4.554 1.00 0.00 N ATOM 1264 CA THR B 16 -13.335 8.491 4.148 1.00 0.00 C ATOM 1265 C THR B 16 -14.169 9.012 5.322 1.00 0.00 C ATOM 1266 O THR B 16 -13.772 8.914 6.465 1.00 0.00 O ATOM 1267 CB THR B 16 -14.217 8.252 2.912 1.00 0.00 C ATOM 1268 OG1 THR B 16 -14.875 9.460 2.558 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.255 7.166 3.198 1.00 0.00 C ATOM 0 H THR B 16 -12.932 6.397 4.016 1.00 0.00 H new ATOM 0 HA THR B 16 -12.585 9.237 3.885 1.00 0.00 H new ATOM 0 HB THR B 16 -13.585 7.923 2.087 1.00 0.00 H new ATOM 0 HG1 THR B 16 -15.436 9.308 1.769 1.00 0.00 H new ATOM 0 HG21 THR B 16 -15.871 7.009 2.313 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.747 6.237 3.456 1.00 0.00 H new ATOM 0 HG23 THR B 16 -15.887 7.477 4.030 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.317 9.575 5.062 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.155 10.104 6.178 1.00 0.00 C ATOM 1279 C ALA B 17 -17.629 10.010 5.800 1.00 0.00 C ATOM 1280 O ALA B 17 -18.483 9.769 6.630 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.793 11.569 6.421 1.00 0.00 C ATOM 0 H ALA B 17 -15.711 9.692 4.128 1.00 0.00 H new ATOM 0 HA ALA B 17 -15.973 9.519 7.080 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.401 11.964 7.235 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.738 11.644 6.686 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.981 12.145 5.515 1.00 0.00 H new ATOM 1287 N ARG B 18 -17.932 10.218 4.550 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.351 10.167 4.092 1.00 0.00 C ATOM 1289 C ARG B 18 -19.646 8.816 3.441 1.00 0.00 C ATOM 1290 O ARG B 18 -18.896 8.333 2.616 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.564 11.289 3.077 1.00 0.00 C ATOM 1292 CG ARG B 18 -19.658 12.638 3.818 1.00 0.00 C ATOM 1293 CD ARG B 18 -19.173 13.766 2.912 1.00 0.00 C ATOM 1294 NE ARG B 18 -17.684 13.750 2.854 1.00 0.00 N ATOM 1295 CZ ARG B 18 -17.058 14.422 1.928 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -17.735 15.111 1.051 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -15.754 14.405 1.878 1.00 0.00 N ATOM 0 H ARG B 18 -17.252 10.423 3.818 1.00 0.00 H new ATOM 0 HA ARG B 18 -20.022 10.292 4.942 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.740 11.310 2.363 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.476 11.110 2.507 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -20.688 12.823 4.124 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -19.057 12.606 4.726 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -19.588 13.647 1.911 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -19.523 14.727 3.290 1.00 0.00 H new ATOM 0 HE ARG B 18 -17.154 13.213 3.540 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -18.754 15.124 1.089 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -17.245 15.636 0.327 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -15.224 13.866 2.563 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -15.265 14.931 1.154 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.745 8.209 3.798 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.104 6.896 3.195 1.00 0.00 C ATOM 1313 C LYS B 19 -21.321 7.100 1.693 1.00 0.00 C ATOM 1314 O LYS B 19 -22.012 8.007 1.273 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.389 6.376 3.871 1.00 0.00 C ATOM 1316 CG LYS B 19 -22.946 5.127 3.155 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.407 4.897 3.568 1.00 0.00 C ATOM 1318 CE LYS B 19 -24.548 4.940 5.093 1.00 0.00 C ATOM 1319 NZ LYS B 19 -24.649 6.356 5.546 1.00 0.00 N ATOM 0 H LYS B 19 -21.410 8.567 4.483 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.311 6.163 3.344 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.180 6.135 4.913 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.144 7.162 3.871 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -22.880 5.257 2.075 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.345 4.253 3.408 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -25.043 5.659 3.117 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -24.750 3.933 3.192 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -25.433 4.385 5.402 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -23.690 4.458 5.561 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -23.743 6.653 5.963 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -24.872 6.965 4.733 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.402 6.440 6.259 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.737 6.262 0.882 1.00 0.00 N ATOM 1334 CA LEU B 20 -20.909 6.406 -0.589 1.00 0.00 C ATOM 1335 C LEU B 20 -22.328 5.942 -0.986 1.00 0.00 C ATOM 1336 O LEU B 20 -22.668 4.806 -0.722 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.894 5.511 -1.305 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.503 5.691 -0.698 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.483 4.959 -1.569 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.143 7.181 -0.640 1.00 0.00 C ATOM 0 H LEU B 20 -20.148 5.483 1.176 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.760 7.449 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.200 4.468 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.869 5.756 -2.367 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.494 5.284 0.313 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.487 5.082 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.733 3.899 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.501 5.374 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.150 7.299 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.150 7.597 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -18.873 7.708 -0.025 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.129 6.786 -1.621 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.478 6.363 -2.032 1.00 0.00 C ATOM 1354 C PRO B 21 -24.380 5.098 -2.888 1.00 0.00 C ATOM 1355 O PRO B 21 -23.453 4.934 -3.653 1.00 0.00 O ATOM 1356 CB PRO B 21 -25.037 7.545 -2.856 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.045 8.731 -2.688 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.788 8.185 -1.975 1.00 0.00 C ATOM 0 HA PRO B 21 -25.122 6.128 -1.185 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.134 7.270 -3.906 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -26.031 7.822 -2.506 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -23.783 9.153 -3.658 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.500 9.532 -2.105 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -21.915 8.226 -2.626 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.551 8.771 -1.087 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.330 4.212 -2.781 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.281 2.980 -3.614 1.00 0.00 C ATOM 1368 C ARG B 22 -25.047 3.398 -5.072 1.00 0.00 C ATOM 1369 O ARG B 22 -24.374 2.726 -5.829 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.615 2.219 -3.477 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.389 0.709 -3.647 1.00 0.00 C ATOM 1372 CD ARG B 22 -25.663 0.430 -4.966 1.00 0.00 C ATOM 1373 NE ARG B 22 -25.874 -0.993 -5.356 1.00 0.00 N ATOM 1374 CZ ARG B 22 -25.602 -1.384 -6.570 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -25.142 -0.529 -7.444 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -25.788 -2.630 -6.912 1.00 0.00 N ATOM 0 H ARG B 22 -26.133 4.287 -2.157 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.474 2.323 -3.288 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -27.057 2.420 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.322 2.574 -4.226 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -25.803 0.325 -2.812 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -27.345 0.186 -3.632 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -26.037 1.092 -5.747 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -24.598 0.635 -4.858 1.00 0.00 H new ATOM 0 HE ARG B 22 -26.231 -1.661 -4.673 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -24.996 0.444 -7.177 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -24.929 -0.835 -8.394 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -26.146 -3.298 -6.230 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -25.575 -2.935 -7.862 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.599 4.518 -5.459 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.415 5.004 -6.856 1.00 0.00 C ATOM 1392 C ASN B 23 -23.983 5.513 -7.039 1.00 0.00 C ATOM 1393 O ASN B 23 -23.686 6.228 -7.976 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.398 6.144 -7.132 1.00 0.00 C ATOM 1395 CG ASN B 23 -26.301 6.560 -8.600 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -26.518 5.758 -9.487 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -25.982 7.791 -8.897 1.00 0.00 N ATOM 0 H ASN B 23 -26.171 5.118 -4.865 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.600 4.185 -7.551 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -27.414 5.826 -6.900 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -26.175 6.994 -6.487 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -25.915 8.079 -9.873 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -25.800 8.464 -8.153 1.00 0.00 H new ATOM 1404 N PHE B 24 -23.092 5.158 -6.147 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.674 5.629 -6.262 1.00 0.00 C ATOM 1406 C PHE B 24 -20.735 4.480 -5.879 1.00 0.00 C ATOM 1407 O PHE B 24 -19.636 4.692 -5.405 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.467 6.821 -5.309 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.282 7.660 -5.748 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.290 8.286 -7.013 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.175 7.828 -4.890 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.196 9.073 -7.417 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -18.080 8.615 -5.298 1.00 0.00 C ATOM 1414 CZ PHE B 24 -18.091 9.238 -6.560 1.00 0.00 C ATOM 0 H PHE B 24 -23.284 4.561 -5.342 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.459 5.942 -7.284 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.366 7.436 -5.288 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.305 6.458 -4.294 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -21.137 8.161 -7.672 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.167 7.353 -3.920 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.204 9.551 -8.385 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.231 8.740 -4.642 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.252 9.843 -6.871 1.00 0.00 H new ATOM 1424 N VAL B 25 -21.164 3.263 -6.090 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.312 2.083 -5.752 1.00 0.00 C ATOM 1426 C VAL B 25 -20.643 0.944 -6.718 1.00 0.00 C ATOM 1427 O VAL B 25 -21.506 0.129 -6.460 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.602 1.632 -4.317 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.660 0.488 -3.941 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.382 2.803 -3.355 1.00 0.00 C ATOM 0 H VAL B 25 -22.076 3.034 -6.485 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.259 2.352 -5.837 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.636 1.293 -4.249 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.867 0.167 -2.920 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.814 -0.349 -4.622 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.627 0.829 -4.012 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.589 2.480 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.349 3.143 -3.425 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -21.052 3.622 -3.619 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.969 0.888 -7.837 1.00 0.00 N ATOM 1441 CA VAL B 26 -20.249 -0.188 -8.828 1.00 0.00 C ATOM 1442 C VAL B 26 -19.470 -1.449 -8.461 1.00 0.00 C ATOM 1443 O VAL B 26 -19.702 -2.511 -9.004 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.816 0.285 -10.215 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.776 1.368 -10.706 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.400 0.860 -10.137 1.00 0.00 C ATOM 0 H VAL B 26 -19.235 1.544 -8.106 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.316 -0.412 -8.826 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.831 -0.557 -10.907 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -20.468 1.706 -11.695 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.786 0.962 -10.760 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.760 2.210 -10.014 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -18.090 1.198 -11.126 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -18.387 1.702 -9.445 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.714 0.090 -9.785 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.549 -1.347 -7.547 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.763 -2.550 -7.161 1.00 0.00 C ATOM 1458 C ASP B 27 -16.935 -2.233 -5.922 1.00 0.00 C ATOM 1459 O ASP B 27 -17.075 -1.186 -5.322 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.831 -2.940 -8.311 1.00 0.00 C ATOM 1461 CG ASP B 27 -16.271 -4.342 -8.062 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -17.010 -5.173 -7.562 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -15.114 -4.561 -8.378 1.00 0.00 O ATOM 0 H ASP B 27 -18.307 -0.488 -7.053 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.440 -3.377 -6.947 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.373 -2.916 -9.256 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -16.016 -2.221 -8.393 1.00 0.00 H new ATOM 1468 N TYR B 28 -16.068 -3.125 -5.534 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.231 -2.863 -4.333 1.00 0.00 C ATOM 1470 C TYR B 28 -13.953 -3.690 -4.397 1.00 0.00 C ATOM 1471 O TYR B 28 -13.678 -4.372 -5.364 1.00 0.00 O ATOM 1472 CB TYR B 28 -16.015 -3.199 -3.058 1.00 0.00 C ATOM 1473 CG TYR B 28 -16.139 -4.701 -2.883 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.849 -5.469 -3.827 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.555 -5.328 -1.763 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.972 -6.860 -3.653 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.679 -6.718 -1.589 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.388 -7.485 -2.533 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.510 -8.849 -2.363 1.00 0.00 O ATOM 0 H TYR B 28 -15.904 -4.020 -5.995 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.966 -1.806 -4.312 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.513 -2.768 -2.192 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -17.007 -2.751 -3.107 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.299 -4.990 -4.684 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -15.012 -4.740 -1.038 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.514 -7.449 -4.378 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.230 -7.197 -0.731 1.00 0.00 H new ATOM 0 HH TYR B 28 -16.049 -9.119 -1.541 1.00 0.00 H new ATOM 1489 N TYR B 29 -13.167 -3.614 -3.369 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.887 -4.362 -3.336 1.00 0.00 C ATOM 1491 C TYR B 29 -11.424 -4.456 -1.878 1.00 0.00 C ATOM 1492 O TYR B 29 -11.559 -3.518 -1.124 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.865 -3.595 -4.191 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.456 -4.023 -3.854 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -9.111 -5.384 -3.893 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.490 -3.059 -3.501 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.799 -5.789 -3.578 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.178 -3.462 -3.186 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.833 -4.827 -3.224 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.546 -5.222 -2.915 1.00 0.00 O ATOM 0 H TYR B 29 -13.359 -3.057 -2.536 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.998 -5.370 -3.735 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -11.061 -3.774 -5.248 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.975 -2.524 -4.023 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.852 -6.121 -4.165 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.756 -2.013 -3.472 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.534 -6.836 -3.608 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.437 -2.725 -2.915 1.00 0.00 H new ATOM 0 HH TYR B 29 -5.006 -4.434 -2.694 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.884 -5.573 -1.467 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.418 -5.703 -0.050 1.00 0.00 C ATOM 1512 C GLU B 30 -8.908 -5.445 0.010 1.00 0.00 C ATOM 1513 O GLU B 30 -8.200 -5.612 -0.963 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.720 -7.114 0.459 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.208 -7.231 0.802 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.556 -8.695 1.074 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -11.638 -9.480 1.242 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.736 -9.006 1.110 1.00 0.00 O ATOM 0 H GLU B 30 -10.745 -6.400 -2.047 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.937 -4.977 0.576 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.453 -7.850 -0.300 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.116 -7.330 1.340 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.439 -6.623 1.676 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.813 -6.849 -0.021 1.00 0.00 H new ATOM 1525 N THR B 31 -8.415 -5.029 1.144 1.00 0.00 N ATOM 1526 CA THR B 31 -6.953 -4.744 1.273 1.00 0.00 C ATOM 1527 C THR B 31 -6.158 -6.050 1.283 1.00 0.00 C ATOM 1528 O THR B 31 -6.670 -7.110 0.982 1.00 0.00 O ATOM 1529 CB THR B 31 -6.704 -3.995 2.583 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.434 -4.628 3.616 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.159 -2.541 2.435 1.00 0.00 C ATOM 0 H THR B 31 -8.961 -4.873 1.991 1.00 0.00 H new ATOM 0 HA THR B 31 -6.631 -4.139 0.426 1.00 0.00 H new ATOM 0 HB THR B 31 -5.641 -4.009 2.826 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.425 -5.598 3.476 1.00 0.00 H new ATOM 0 HG21 THR B 31 -6.981 -2.007 3.369 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.597 -2.064 1.632 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.223 -2.515 2.199 1.00 0.00 H new ATOM 1539 N SER B 32 -4.903 -5.972 1.634 1.00 0.00 N ATOM 1540 CA SER B 32 -4.051 -7.192 1.675 1.00 0.00 C ATOM 1541 C SER B 32 -4.256 -7.916 3.005 1.00 0.00 C ATOM 1542 O SER B 32 -5.337 -7.930 3.560 1.00 0.00 O ATOM 1543 CB SER B 32 -2.584 -6.788 1.544 1.00 0.00 C ATOM 1544 OG SER B 32 -1.791 -7.953 1.360 1.00 0.00 O ATOM 0 H SER B 32 -4.429 -5.108 1.896 1.00 0.00 H new ATOM 0 HA SER B 32 -4.327 -7.854 0.854 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.456 -6.110 0.701 1.00 0.00 H new ATOM 0 HB3 SER B 32 -2.261 -6.252 2.436 1.00 0.00 H new ATOM 0 HG SER B 32 -0.849 -7.697 1.274 1.00 0.00 H new ATOM 1550 N SER B 33 -3.220 -8.518 3.515 1.00 0.00 N ATOM 1551 CA SER B 33 -3.323 -9.253 4.813 1.00 0.00 C ATOM 1552 C SER B 33 -2.056 -9.004 5.624 1.00 0.00 C ATOM 1553 O SER B 33 -2.086 -8.898 6.833 1.00 0.00 O ATOM 1554 CB SER B 33 -3.445 -10.746 4.530 1.00 0.00 C ATOM 1555 OG SER B 33 -2.152 -11.282 4.278 1.00 0.00 O ATOM 0 H SER B 33 -2.295 -8.535 3.086 1.00 0.00 H new ATOM 0 HA SER B 33 -4.195 -8.908 5.368 1.00 0.00 H new ATOM 0 HB2 SER B 33 -3.903 -11.253 5.380 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.095 -10.913 3.671 1.00 0.00 H new ATOM 0 HG SER B 33 -2.226 -12.242 4.097 1.00 0.00 H new ATOM 1561 N LEU B 34 -0.940 -8.922 4.950 1.00 0.00 N ATOM 1562 CA LEU B 34 0.364 -8.685 5.638 1.00 0.00 C ATOM 1563 C LEU B 34 0.192 -7.672 6.771 1.00 0.00 C ATOM 1564 O LEU B 34 0.506 -7.938 7.914 1.00 0.00 O ATOM 1565 CB LEU B 34 1.378 -8.134 4.633 1.00 0.00 C ATOM 1566 CG LEU B 34 1.279 -8.897 3.311 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.419 -8.459 2.390 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.382 -10.402 3.576 1.00 0.00 C ATOM 0 H LEU B 34 -0.875 -9.011 3.936 1.00 0.00 H new ATOM 0 HA LEU B 34 0.718 -9.630 6.050 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.194 -7.073 4.464 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.386 -8.222 5.037 1.00 0.00 H new ATOM 0 HG LEU B 34 0.322 -8.682 2.836 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.353 -9.000 1.446 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.343 -7.388 2.200 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.375 -8.676 2.866 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.311 -10.943 2.633 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.338 -10.623 4.050 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.570 -10.712 4.234 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.302 -6.510 6.456 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.491 -5.475 7.508 1.00 0.00 C ATOM 1582 C CYS B 35 -1.624 -5.907 8.445 1.00 0.00 C ATOM 1583 O CYS B 35 -2.697 -6.266 8.015 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.828 -4.132 6.851 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.946 -4.395 5.451 1.00 0.00 S ATOM 0 H CYS B 35 -0.583 -6.231 5.516 1.00 0.00 H new ATOM 0 HA CYS B 35 0.426 -5.363 8.086 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.293 -3.467 7.579 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.086 -3.644 6.512 1.00 0.00 H new ATOM 1590 N SER B 36 -1.376 -5.897 9.725 1.00 0.00 N ATOM 1591 CA SER B 36 -2.421 -6.317 10.704 1.00 0.00 C ATOM 1592 C SER B 36 -3.602 -5.334 10.713 1.00 0.00 C ATOM 1593 O SER B 36 -4.228 -5.135 11.736 1.00 0.00 O ATOM 1594 CB SER B 36 -1.805 -6.375 12.102 1.00 0.00 C ATOM 1595 OG SER B 36 -1.632 -5.053 12.593 1.00 0.00 O ATOM 0 H SER B 36 -0.488 -5.614 10.139 1.00 0.00 H new ATOM 0 HA SER B 36 -2.793 -7.299 10.410 1.00 0.00 H new ATOM 0 HB2 SER B 36 -2.449 -6.943 12.773 1.00 0.00 H new ATOM 0 HB3 SER B 36 -0.846 -6.891 12.068 1.00 0.00 H new ATOM 0 HG SER B 36 -1.239 -5.086 13.490 1.00 0.00 H new ATOM 1601 N GLN B 37 -3.924 -4.709 9.607 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.073 -3.748 9.621 1.00 0.00 C ATOM 1603 C GLN B 37 -5.709 -3.631 8.226 1.00 0.00 C ATOM 1604 O GLN B 37 -5.647 -2.582 7.618 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.570 -2.371 10.062 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.280 -2.031 9.311 1.00 0.00 C ATOM 1607 CD GLN B 37 -2.962 -0.545 9.489 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -2.937 -0.045 10.596 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -2.717 0.187 8.436 1.00 0.00 N ATOM 0 H GLN B 37 -3.451 -4.819 8.710 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.827 -4.117 10.316 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.329 -1.614 9.863 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.389 -2.366 11.137 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.457 -2.638 9.688 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.390 -2.266 8.252 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -2.738 -0.233 7.507 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -2.505 1.179 8.543 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.322 -4.699 7.761 1.00 0.00 N ATOM 1619 CA PRO B 38 -6.991 -4.694 6.446 1.00 0.00 C ATOM 1620 C PRO B 38 -8.252 -3.821 6.524 1.00 0.00 C ATOM 1621 O PRO B 38 -8.603 -3.304 7.567 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.356 -6.175 6.187 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.089 -6.956 7.506 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.395 -5.985 8.489 1.00 0.00 C ATOM 0 HA PRO B 38 -6.369 -4.290 5.648 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.401 -6.267 5.891 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.757 -6.581 5.372 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.023 -7.326 7.928 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.459 -7.825 7.316 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -6.964 -5.885 9.414 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.402 -6.342 8.763 1.00 0.00 H new ATOM 1632 N ALA B 39 -8.930 -3.664 5.428 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.167 -2.845 5.406 1.00 0.00 C ATOM 1634 C ALA B 39 -10.866 -3.093 4.074 1.00 0.00 C ATOM 1635 O ALA B 39 -10.313 -3.715 3.189 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.807 -1.363 5.526 1.00 0.00 C ATOM 0 H ALA B 39 -8.675 -4.076 4.530 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.818 -3.116 6.238 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.718 -0.765 5.509 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.278 -1.192 6.463 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.169 -1.075 4.691 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.062 -2.598 3.905 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.768 -2.799 2.604 1.00 0.00 C ATOM 1644 C VAL B 40 -12.560 -1.541 1.765 1.00 0.00 C ATOM 1645 O VAL B 40 -12.507 -0.442 2.280 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.266 -3.028 2.850 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -15.039 -2.849 1.538 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.476 -4.453 3.361 1.00 0.00 C ATOM 0 H VAL B 40 -12.579 -2.066 4.605 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.372 -3.672 2.085 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.627 -2.309 3.585 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.102 -3.012 1.717 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.886 -1.838 1.160 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.680 -3.569 0.803 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.538 -4.623 3.538 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -14.114 -5.163 2.618 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.926 -4.590 4.292 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.423 -1.705 0.479 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.194 -0.537 -0.428 1.00 0.00 C ATOM 1660 C VAL B 41 -13.323 -0.467 -1.459 1.00 0.00 C ATOM 1661 O VAL B 41 -13.502 -1.363 -2.255 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.845 -0.726 -1.129 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.350 0.602 -1.694 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.824 -1.247 -0.114 1.00 0.00 C ATOM 0 H VAL B 41 -12.460 -2.609 0.008 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.183 0.393 0.141 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.966 -1.438 -1.946 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.391 0.452 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.074 0.984 -2.414 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.231 1.321 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.861 -1.384 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.718 -0.527 0.698 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.165 -2.201 0.289 1.00 0.00 H new ATOM 1674 N PHE B 42 -14.102 0.583 -1.443 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.234 0.687 -2.415 1.00 0.00 C ATOM 1676 C PHE B 42 -14.775 1.370 -3.706 1.00 0.00 C ATOM 1677 O PHE B 42 -14.084 2.369 -3.687 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.367 1.512 -1.794 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.095 0.685 -0.757 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.810 -0.465 -1.148 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.063 1.064 0.599 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.490 -1.234 -0.186 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.745 0.297 1.561 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.458 -0.853 1.169 1.00 0.00 C ATOM 0 H PHE B 42 -14.005 1.371 -0.802 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.583 -0.319 -2.648 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -15.963 2.414 -1.335 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -17.062 1.833 -2.569 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.836 -0.756 -2.188 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.514 1.944 0.901 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -19.036 -2.116 -0.487 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.722 0.590 2.600 1.00 0.00 H new ATOM 0 HZ PHE B 42 -18.980 -1.443 1.908 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.191 0.844 -4.829 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.830 1.451 -6.144 1.00 0.00 C ATOM 1696 C GLN B 43 -16.031 2.281 -6.607 1.00 0.00 C ATOM 1697 O GLN B 43 -17.132 1.769 -6.711 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.537 0.328 -7.143 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.293 -0.441 -6.694 1.00 0.00 C ATOM 1700 CD GLN B 43 -13.143 -1.708 -7.537 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -12.426 -1.716 -8.519 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -13.793 -2.785 -7.195 1.00 0.00 N ATOM 0 H GLN B 43 -15.773 0.009 -4.891 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.946 2.084 -6.066 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.391 -0.347 -7.209 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.381 0.744 -8.139 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.407 0.186 -6.800 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.375 -0.701 -5.639 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -14.394 -2.778 -6.371 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -13.700 -3.635 -7.751 1.00 0.00 H new ATOM 1711 N THR B 44 -15.856 3.568 -6.840 1.00 0.00 N ATOM 1712 CA THR B 44 -17.039 4.417 -7.235 1.00 0.00 C ATOM 1713 C THR B 44 -17.107 4.638 -8.747 1.00 0.00 C ATOM 1714 O THR B 44 -16.513 3.924 -9.530 1.00 0.00 O ATOM 1715 CB THR B 44 -16.936 5.782 -6.559 1.00 0.00 C ATOM 1716 OG1 THR B 44 -16.072 6.611 -7.318 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.375 5.612 -5.146 1.00 0.00 C ATOM 0 H THR B 44 -14.965 4.060 -6.776 1.00 0.00 H new ATOM 0 HA THR B 44 -17.938 3.887 -6.919 1.00 0.00 H new ATOM 0 HB THR B 44 -17.924 6.239 -6.500 1.00 0.00 H new ATOM 0 HG1 THR B 44 -16.350 7.546 -7.224 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.302 6.587 -4.664 1.00 0.00 H new ATOM 0 HG22 THR B 44 -17.038 4.969 -4.566 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.385 5.158 -5.200 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.856 5.642 -9.147 1.00 0.00 N ATOM 1726 CA LYS B 45 -18.018 5.964 -10.597 1.00 0.00 C ATOM 1727 C LYS B 45 -17.257 7.252 -10.928 1.00 0.00 C ATOM 1728 O LYS B 45 -16.926 7.506 -12.069 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.506 6.179 -10.906 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.353 5.091 -10.243 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.835 5.374 -10.512 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.688 4.190 -10.043 1.00 0.00 C ATOM 1733 NZ LYS B 45 -24.096 4.641 -9.855 1.00 0.00 N ATOM 0 H LYS B 45 -18.368 6.259 -8.517 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.626 5.140 -11.193 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.820 7.160 -10.549 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.665 6.166 -11.984 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -20.080 4.111 -10.635 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -20.163 5.069 -9.170 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -22.141 6.282 -9.992 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.993 5.548 -11.576 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -22.647 3.384 -10.776 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -22.294 3.791 -9.108 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -24.613 3.938 -9.290 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -24.104 5.556 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -24.554 4.745 -10.783 1.00 0.00 H new ATOM 1747 N ARG B 46 -16.982 8.075 -9.939 1.00 0.00 N ATOM 1748 CA ARG B 46 -16.248 9.358 -10.196 1.00 0.00 C ATOM 1749 C ARG B 46 -15.121 9.480 -9.166 1.00 0.00 C ATOM 1750 O ARG B 46 -15.016 10.443 -8.439 1.00 0.00 O ATOM 1751 CB ARG B 46 -17.223 10.546 -10.068 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.711 11.774 -10.856 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.544 12.463 -10.131 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.866 12.649 -8.675 1.00 0.00 N ATOM 1755 CZ ARG B 46 -16.942 13.281 -8.282 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -17.674 13.942 -9.136 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -17.253 13.298 -7.015 1.00 0.00 N ATOM 0 H ARG B 46 -17.235 7.912 -8.964 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.829 9.364 -11.202 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -18.206 10.256 -10.440 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.344 10.809 -9.017 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.390 11.462 -11.850 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.526 12.485 -10.993 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -14.639 11.865 -10.236 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -15.342 13.430 -10.591 1.00 0.00 H new ATOM 0 HE ARG B 46 -15.228 12.272 -7.974 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -17.409 13.969 -10.121 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -18.511 14.431 -8.819 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -16.659 12.820 -6.338 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -18.091 13.789 -6.702 1.00 0.00 H new ATOM 1771 N SER B 47 -14.282 8.494 -9.104 1.00 0.00 N ATOM 1772 CA SER B 47 -13.151 8.523 -8.153 1.00 0.00 C ATOM 1773 C SER B 47 -12.241 7.351 -8.494 1.00 0.00 C ATOM 1774 O SER B 47 -11.766 7.224 -9.605 1.00 0.00 O ATOM 1775 CB SER B 47 -13.661 8.421 -6.708 1.00 0.00 C ATOM 1776 OG SER B 47 -14.030 7.083 -6.414 1.00 0.00 O ATOM 0 H SER B 47 -14.334 7.656 -9.682 1.00 0.00 H new ATOM 0 HA SER B 47 -12.603 9.462 -8.234 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.887 8.753 -6.017 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.517 9.081 -6.569 1.00 0.00 H new ATOM 0 HG SER B 47 -14.900 6.887 -6.819 1.00 0.00 H new ATOM 1782 N LYS B 48 -12.012 6.490 -7.566 1.00 0.00 N ATOM 1783 CA LYS B 48 -11.157 5.314 -7.834 1.00 0.00 C ATOM 1784 C LYS B 48 -11.433 4.279 -6.755 1.00 0.00 C ATOM 1785 O LYS B 48 -12.321 3.459 -6.877 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.686 5.730 -7.805 1.00 0.00 C ATOM 1787 CG LYS B 48 -8.799 4.494 -7.995 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.389 4.925 -8.418 1.00 0.00 C ATOM 1789 CE LYS B 48 -6.713 5.690 -7.277 1.00 0.00 C ATOM 1790 NZ LYS B 48 -7.255 7.078 -7.219 1.00 0.00 N ATOM 0 H LYS B 48 -12.384 6.547 -6.618 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.375 4.896 -8.817 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.488 6.457 -8.592 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -9.453 6.215 -6.857 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -8.752 3.923 -7.068 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.231 3.838 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -6.796 4.050 -8.682 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -7.443 5.553 -9.307 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -6.888 5.180 -6.330 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -5.634 5.716 -7.431 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -6.482 7.744 -7.018 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -7.691 7.319 -8.132 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -7.970 7.140 -6.466 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.683 4.337 -5.688 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.864 3.388 -4.555 1.00 0.00 C ATOM 1806 C GLN B 49 -11.043 4.204 -3.267 1.00 0.00 C ATOM 1807 O GLN B 49 -10.428 5.240 -3.089 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.601 2.508 -4.459 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.814 1.185 -5.206 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.577 0.301 -5.042 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -8.553 -0.822 -5.503 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -7.540 0.765 -4.398 1.00 0.00 N ATOM 0 H GLN B 49 -9.936 5.018 -5.553 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.738 2.753 -4.704 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -8.747 3.038 -4.881 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.367 2.309 -3.413 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.694 0.673 -4.817 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -9.999 1.378 -6.263 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -7.560 1.708 -4.011 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -6.710 0.184 -4.282 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.881 3.747 -2.366 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.099 4.493 -1.085 1.00 0.00 C ATOM 1823 C VAL B 50 -12.068 3.503 0.072 1.00 0.00 C ATOM 1824 O VAL B 50 -12.819 2.554 0.105 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.465 5.205 -1.116 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.464 6.356 -0.102 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.733 5.744 -2.526 1.00 0.00 C ATOM 0 H VAL B 50 -12.424 2.889 -2.463 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.315 5.239 -0.959 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.252 4.498 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.430 6.860 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.283 5.960 0.897 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.678 7.066 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.700 6.247 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.950 6.451 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.740 4.917 -3.236 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.210 3.723 1.023 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.126 2.792 2.179 1.00 0.00 C ATOM 1839 C CYS B 51 -12.348 2.984 3.070 1.00 0.00 C ATOM 1840 O CYS B 51 -12.901 4.062 3.160 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.859 3.097 2.978 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.403 2.766 1.954 1.00 0.00 S ATOM 0 H CYS B 51 -10.561 4.509 1.051 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.094 1.762 1.822 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.861 4.139 3.299 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.829 2.485 3.880 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.782 1.939 3.725 1.00 0.00 N ATOM 1848 CA ALA B 52 -13.981 2.047 4.609 1.00 0.00 C ATOM 1849 C ALA B 52 -13.778 1.180 5.853 1.00 0.00 C ATOM 1850 O ALA B 52 -13.354 0.042 5.770 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.215 1.559 3.846 1.00 0.00 C ATOM 0 H ALA B 52 -12.357 1.013 3.686 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.121 3.085 4.909 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.093 1.636 4.487 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.360 2.173 2.957 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.072 0.520 3.549 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.075 1.713 7.008 1.00 0.00 N ATOM 1858 CA ASP B 53 -13.900 0.930 8.264 1.00 0.00 C ATOM 1859 C ASP B 53 -14.938 -0.220 8.302 1.00 0.00 C ATOM 1860 O ASP B 53 -16.120 0.059 8.299 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.142 1.855 9.460 1.00 0.00 C ATOM 1862 CG ASP B 53 -15.386 2.707 9.200 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -16.080 2.428 8.235 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -15.625 3.622 9.971 1.00 0.00 O ATOM 0 H ASP B 53 -14.432 2.660 7.135 1.00 0.00 H new ATOM 0 HA ASP B 53 -12.892 0.517 8.304 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -14.274 1.267 10.368 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -13.275 2.496 9.619 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.509 -1.476 8.339 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.471 -2.599 8.380 1.00 0.00 C ATOM 1871 C PRO B 54 -16.337 -2.504 9.646 1.00 0.00 C ATOM 1872 O PRO B 54 -17.268 -3.263 9.832 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.601 -3.877 8.401 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.111 -3.433 8.379 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.083 -1.888 8.342 1.00 0.00 C ATOM 0 HA PRO B 54 -16.153 -2.593 7.530 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.811 -4.468 9.292 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.825 -4.507 7.540 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.588 -3.804 9.260 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.601 -3.846 7.508 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.557 -1.482 9.206 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.566 -1.524 7.454 1.00 0.00 H new ATOM 1883 N SER B 55 -16.023 -1.592 10.519 1.00 0.00 N ATOM 1884 CA SER B 55 -16.810 -1.461 11.780 1.00 0.00 C ATOM 1885 C SER B 55 -18.144 -0.763 11.498 1.00 0.00 C ATOM 1886 O SER B 55 -19.080 -0.872 12.264 1.00 0.00 O ATOM 1887 CB SER B 55 -16.012 -0.637 12.791 1.00 0.00 C ATOM 1888 OG SER B 55 -16.889 -0.161 13.804 1.00 0.00 O ATOM 0 H SER B 55 -15.255 -0.929 10.417 1.00 0.00 H new ATOM 0 HA SER B 55 -17.006 -2.455 12.183 1.00 0.00 H new ATOM 0 HB2 SER B 55 -15.224 -1.246 13.233 1.00 0.00 H new ATOM 0 HB3 SER B 55 -15.525 0.201 12.292 1.00 0.00 H new ATOM 0 HG SER B 55 -16.381 0.367 14.455 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.245 -0.051 10.409 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.530 0.641 10.095 1.00 0.00 C ATOM 1896 C GLU B 56 -20.500 -0.364 9.466 1.00 0.00 C ATOM 1897 O GLU B 56 -20.237 -0.947 8.432 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.267 1.796 9.126 1.00 0.00 C ATOM 1899 CG GLU B 56 -18.734 3.009 9.896 1.00 0.00 C ATOM 1900 CD GLU B 56 -18.530 4.177 8.931 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -19.506 4.842 8.622 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -17.403 4.388 8.516 1.00 0.00 O ATOM 0 H GLU B 56 -17.499 0.082 9.726 1.00 0.00 H new ATOM 0 HA GLU B 56 -19.968 1.041 11.009 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.546 1.490 8.368 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.186 2.061 8.603 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -19.435 3.291 10.682 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -17.792 2.758 10.384 1.00 0.00 H new ATOM 1909 N SER B 57 -21.613 -0.577 10.105 1.00 0.00 N ATOM 1910 CA SER B 57 -22.619 -1.551 9.596 1.00 0.00 C ATOM 1911 C SER B 57 -22.930 -1.317 8.114 1.00 0.00 C ATOM 1912 O SER B 57 -23.097 -2.255 7.361 1.00 0.00 O ATOM 1913 CB SER B 57 -23.908 -1.410 10.405 1.00 0.00 C ATOM 1914 OG SER B 57 -23.682 -1.876 11.730 1.00 0.00 O ATOM 0 H SER B 57 -21.874 -0.110 10.973 1.00 0.00 H new ATOM 0 HA SER B 57 -22.205 -2.554 9.703 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.228 -0.368 10.423 1.00 0.00 H new ATOM 0 HB3 SER B 57 -24.709 -1.982 9.937 1.00 0.00 H new ATOM 0 HG SER B 57 -24.506 -1.786 12.253 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.036 -0.089 7.683 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.368 0.146 6.249 1.00 0.00 C ATOM 1922 C TRP B 58 -22.283 -0.460 5.364 1.00 0.00 C ATOM 1923 O TRP B 58 -22.543 -0.896 4.262 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.548 1.644 5.967 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.236 2.361 5.884 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.743 3.177 6.845 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.265 2.381 4.794 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.537 3.700 6.417 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.192 3.236 5.167 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.203 1.749 3.530 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.098 3.456 4.318 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.103 1.968 2.672 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.052 2.821 3.068 1.00 0.00 C ATOM 0 H TRP B 58 -22.910 0.749 8.251 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.315 -0.342 6.019 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.092 1.774 5.031 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.156 2.091 6.754 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.216 3.386 7.793 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -19.971 4.351 6.961 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.003 1.094 3.219 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.295 4.110 4.625 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.066 1.480 1.709 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.212 2.985 2.409 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.076 -0.522 5.839 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.001 -1.126 5.015 1.00 0.00 C ATOM 1946 C VAL B 59 -20.294 -2.612 4.852 1.00 0.00 C ATOM 1947 O VAL B 59 -20.233 -3.154 3.769 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.659 -0.927 5.713 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.544 -1.590 4.899 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.396 0.572 5.830 1.00 0.00 C ATOM 0 H VAL B 59 -20.788 -0.183 6.757 1.00 0.00 H new ATOM 0 HA VAL B 59 -19.960 -0.652 4.034 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.682 -1.382 6.703 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.589 -1.444 5.404 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.746 -2.657 4.807 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.502 -1.142 3.906 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.440 0.736 6.327 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.368 1.015 4.835 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.192 1.037 6.412 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.632 -3.272 5.920 1.00 0.00 N ATOM 1961 CA GLN B 60 -20.951 -4.723 5.816 1.00 0.00 C ATOM 1962 C GLN B 60 -22.209 -4.899 4.960 1.00 0.00 C ATOM 1963 O GLN B 60 -22.316 -5.821 4.176 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.195 -5.298 7.213 1.00 0.00 C ATOM 1965 CG GLN B 60 -21.306 -6.821 7.126 1.00 0.00 C ATOM 1966 CD GLN B 60 -21.736 -7.380 8.484 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -21.262 -8.416 8.906 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -22.622 -6.732 9.191 1.00 0.00 N ATOM 0 H GLN B 60 -20.702 -2.874 6.857 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.116 -5.250 5.354 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -20.379 -5.020 7.880 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -22.109 -4.880 7.635 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -22.030 -7.100 6.360 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -20.348 -7.250 6.831 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -23.020 -5.862 8.837 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -22.916 -7.096 10.097 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.162 -4.019 5.110 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.419 -4.127 4.313 1.00 0.00 C ATOM 1979 C GLU B 61 -24.118 -3.916 2.827 1.00 0.00 C ATOM 1980 O GLU B 61 -24.536 -4.683 1.984 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.412 -3.062 4.785 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.760 -3.279 4.095 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.774 -2.263 4.624 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -28.275 -2.471 5.716 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -28.033 -1.296 3.927 1.00 0.00 O ATOM 0 H GLU B 61 -23.124 -3.227 5.752 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.847 -5.120 4.454 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.533 -3.116 5.867 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.030 -2.067 4.556 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.650 -3.171 3.016 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -27.115 -4.293 4.279 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.399 -2.878 2.501 1.00 0.00 N ATOM 1993 CA TYR B 62 -23.076 -2.613 1.069 1.00 0.00 C ATOM 1994 C TYR B 62 -22.251 -3.775 0.504 1.00 0.00 C ATOM 1995 O TYR B 62 -22.410 -4.159 -0.637 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.275 -1.304 0.949 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.203 -0.100 0.959 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.181 0.049 1.965 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.079 0.884 -0.045 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.028 1.176 1.964 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.927 2.007 -0.044 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.901 2.153 0.960 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.732 3.255 0.961 1.00 0.00 O ATOM 0 H TYR B 62 -23.021 -2.201 3.164 1.00 0.00 H new ATOM 0 HA TYR B 62 -24.003 -2.519 0.504 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.566 -1.229 1.774 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.692 -1.312 0.028 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.281 -0.701 2.736 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.331 0.775 -0.816 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.775 1.289 2.735 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.830 2.757 -0.815 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.511 3.832 0.200 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.380 -4.344 1.291 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.567 -5.481 0.788 1.00 0.00 C ATOM 2015 C VAL B 63 -21.499 -6.654 0.525 1.00 0.00 C ATOM 2016 O VAL B 63 -21.372 -7.359 -0.454 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.524 -5.867 1.842 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.854 -7.188 1.454 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.462 -4.766 1.931 1.00 0.00 C ATOM 0 H VAL B 63 -21.198 -4.070 2.257 1.00 0.00 H new ATOM 0 HA VAL B 63 -20.051 -5.204 -0.131 1.00 0.00 H new ATOM 0 HB VAL B 63 -20.016 -5.985 2.808 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.114 -7.456 2.208 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.607 -7.973 1.390 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.363 -7.077 0.487 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.718 -5.038 2.680 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -17.976 -4.650 0.962 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -18.935 -3.826 2.214 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.439 -6.860 1.398 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.388 -7.982 1.213 1.00 0.00 C ATOM 2031 C TYR B 64 -24.178 -7.761 -0.074 1.00 0.00 C ATOM 2032 O TYR B 64 -24.390 -8.666 -0.854 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.351 -8.031 2.404 1.00 0.00 C ATOM 2034 CG TYR B 64 -25.015 -9.388 2.473 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.273 -10.513 2.884 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.372 -9.530 2.126 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -24.888 -11.778 2.948 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -26.988 -10.795 2.191 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.245 -11.919 2.601 1.00 0.00 C ATOM 2040 OH TYR B 64 -26.848 -13.159 2.663 1.00 0.00 O ATOM 0 H TYR B 64 -22.590 -6.297 2.235 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.842 -8.923 1.149 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.809 -7.834 3.329 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.106 -7.251 2.305 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.232 -10.405 3.150 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -26.941 -8.668 1.810 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.319 -12.640 3.263 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -28.030 -10.903 1.927 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.786 -13.080 2.392 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.613 -6.556 -0.294 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.395 -6.252 -1.525 1.00 0.00 C ATOM 2052 C ASP B 65 -24.534 -6.536 -2.758 1.00 0.00 C ATOM 2053 O ASP B 65 -25.023 -6.965 -3.786 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.799 -4.774 -1.508 1.00 0.00 C ATOM 2055 CG ASP B 65 -27.009 -4.578 -0.590 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -26.825 -4.608 0.615 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -28.099 -4.403 -1.110 1.00 0.00 O ATOM 0 H ASP B 65 -24.461 -5.762 0.328 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.288 -6.875 -1.559 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.965 -4.164 -1.161 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -26.039 -4.441 -2.518 1.00 0.00 H new ATOM 2062 N LEU B 66 -23.259 -6.300 -2.663 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.359 -6.552 -3.822 1.00 0.00 C ATOM 2064 C LEU B 66 -22.190 -8.061 -4.019 1.00 0.00 C ATOM 2065 O LEU B 66 -22.004 -8.537 -5.121 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.997 -5.903 -3.537 1.00 0.00 C ATOM 2067 CG LEU B 66 -21.053 -4.391 -3.846 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.943 -3.665 -3.080 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.845 -4.145 -5.349 1.00 0.00 C ATOM 0 H LEU B 66 -22.797 -5.941 -1.828 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.786 -6.125 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.723 -6.059 -2.494 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -20.226 -6.377 -4.144 1.00 0.00 H new ATOM 0 HG LEU B 66 -22.030 -4.015 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.986 -2.598 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -20.078 -3.820 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.973 -4.060 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.887 -3.075 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.872 -4.533 -5.650 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.628 -4.652 -5.912 1.00 0.00 H new ATOM 2081 N GLU B 67 -22.263 -8.817 -2.961 1.00 0.00 N ATOM 2082 CA GLU B 67 -22.116 -10.296 -3.088 1.00 0.00 C ATOM 2083 C GLU B 67 -23.381 -10.872 -3.720 1.00 0.00 C ATOM 2084 O GLU B 67 -23.353 -11.895 -4.374 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.921 -10.909 -1.700 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.541 -10.530 -1.169 1.00 0.00 C ATOM 2087 CD GLU B 67 -20.257 -11.305 0.119 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -21.009 -11.139 1.065 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -19.292 -12.050 0.137 1.00 0.00 O ATOM 0 H GLU B 67 -22.418 -8.476 -2.012 1.00 0.00 H new ATOM 0 HA GLU B 67 -21.253 -10.527 -3.713 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.695 -10.552 -1.021 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -22.018 -11.993 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -19.779 -10.753 -1.916 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.495 -9.458 -0.978 1.00 0.00 H new