USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 44 THR OG1 : rot 162:sc= -0.468 USER MOD Set 1.2: B 47 SER OG : rot -43:sc= 0.224! USER MOD Set 2.1: A 44 THR OG1 : rot 162:sc= -0.507 USER MOD Set 2.2: A 47 SER OG : rot -38:sc= 0.258! USER MOD Single : A 5 SER OG : rot -24:sc= -0.271! USER MOD Single : A 9 THR OG1 : rot 169:sc= -0.47 USER MOD Single : A 14 SER OG : rot -81:sc= 1.72 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.322! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.555 K(o=-0.56,f=-4.1!) 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 13:sc= -1.55 USER MOD Single : A 32 SER OG : rot 180:sc= 0.296 USER MOD Single : A 33 SER OG : rot -60:sc= -0.136 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.142 X(o=0.14,f=0) USER MOD Single : A 43 GLN : amide:sc= -3.22! K(o=-3.2!,f=-1.4) USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= -0.443 (180deg=-1.36!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.44 K(o=-1.4,f=-5.6!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.437 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -35:sc= -0.285 USER MOD Single : B 9 THR OG1 : rot 167:sc= -0.554 USER MOD Single : B 14 SER OG : rot -89:sc= 1.64 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 55:sc= 0.149! USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 ASN : amide:sc= -0.605 K(o=-0.6,f=-4.1!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 10:sc= -1.42 USER MOD Single : B 32 SER OG : rot 180:sc= 0.313 USER MOD Single : B 33 SER OG : rot 180:sc= -0.14 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0.144 X(o=0.14,f=0) USER MOD Single : B 43 GLN : amide:sc= -3.35! K(o=-3.4!,f=-1.4) USER MOD Single : B 45 LYS NZ :NH3+ -168:sc= -0.441 (180deg=-1.63!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -1.43 K(o=-1.4,f=-5.7!) 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 X(o=0,f=0) USER MOD Single : B 62 TYR OH : rot 180:sc= -0.422 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -10.655 10.286 -3.897 1.00 0.44 N ATOM 52 CA SER A 5 -11.448 9.985 -2.677 1.00 0.30 C ATOM 53 C SER A 5 -10.492 9.646 -1.519 1.00 0.27 C ATOM 54 O SER A 5 -9.949 10.524 -0.879 1.00 0.30 O ATOM 55 CB SER A 5 -12.361 8.800 -2.975 1.00 0.49 C ATOM 56 OG SER A 5 -11.679 7.908 -3.846 1.00 1.52 O ATOM 0 HA SER A 5 -12.051 10.847 -2.391 1.00 0.30 H new ATOM 0 HB2 SER A 5 -12.634 8.291 -2.050 1.00 0.49 H new ATOM 0 HB3 SER A 5 -13.288 9.143 -3.435 1.00 0.49 H new ATOM 0 HG SER A 5 -10.991 8.398 -4.343 1.00 1.52 H new ATOM 62 N ASP A 6 -10.278 8.380 -1.248 1.00 0.24 N ATOM 63 CA ASP A 6 -9.352 7.999 -0.134 1.00 0.23 C ATOM 64 C ASP A 6 -8.839 6.567 -0.356 1.00 0.21 C ATOM 65 O ASP A 6 -9.200 5.672 0.382 1.00 0.20 O ATOM 66 CB ASP A 6 -10.097 8.057 1.207 1.00 0.25 C ATOM 67 CG ASP A 6 -10.905 9.353 1.297 1.00 1.26 C ATOM 68 OD1 ASP A 6 -12.046 9.346 0.865 1.00 2.00 O ATOM 69 OD2 ASP A 6 -10.369 10.329 1.795 1.00 2.03 O ATOM 0 H ASP A 6 -10.702 7.598 -1.747 1.00 0.24 H new ATOM 0 HA ASP A 6 -8.514 8.695 -0.118 1.00 0.23 H new ATOM 0 HB2 ASP A 6 -10.760 7.197 1.302 1.00 0.25 H new ATOM 0 HB3 ASP A 6 -9.386 8.004 2.031 1.00 0.25 H new ATOM 74 N PRO A 7 -8.017 6.378 -1.368 1.00 0.22 N ATOM 75 CA PRO A 7 -7.469 5.043 -1.676 1.00 0.22 C ATOM 76 C PRO A 7 -6.541 4.576 -0.532 1.00 0.20 C ATOM 77 O PRO A 7 -6.164 5.370 0.306 1.00 0.20 O ATOM 78 CB PRO A 7 -6.684 5.233 -2.997 1.00 0.25 C ATOM 79 CG PRO A 7 -6.740 6.747 -3.363 1.00 0.27 C ATOM 80 CD PRO A 7 -7.577 7.460 -2.276 1.00 0.26 C ATOM 0 HA PRO A 7 -8.242 4.281 -1.777 1.00 0.22 H new ATOM 0 HB2 PRO A 7 -5.651 4.905 -2.880 1.00 0.25 H new ATOM 0 HB3 PRO A 7 -7.121 4.630 -3.793 1.00 0.25 H new ATOM 0 HG2 PRO A 7 -5.735 7.167 -3.410 1.00 0.27 H new ATOM 0 HG3 PRO A 7 -7.190 6.887 -4.346 1.00 0.27 H new ATOM 0 HD2 PRO A 7 -6.984 8.205 -1.745 1.00 0.26 H new ATOM 0 HD3 PRO A 7 -8.429 7.982 -2.712 1.00 0.26 H new ATOM 88 N PRO A 8 -6.189 3.303 -0.533 1.00 0.21 N ATOM 89 CA PRO A 8 -5.297 2.742 0.502 1.00 0.22 C ATOM 90 C PRO A 8 -3.931 3.447 0.457 1.00 0.22 C ATOM 91 O PRO A 8 -3.808 4.551 -0.038 1.00 0.22 O ATOM 92 CB PRO A 8 -5.166 1.240 0.141 1.00 0.24 C ATOM 93 CG PRO A 8 -5.890 1.026 -1.219 1.00 0.26 C ATOM 94 CD PRO A 8 -6.648 2.330 -1.549 1.00 0.24 C ATOM 0 HA PRO A 8 -5.684 2.879 1.512 1.00 0.22 H new ATOM 0 HB2 PRO A 8 -4.117 0.953 0.067 1.00 0.24 H new ATOM 0 HB3 PRO A 8 -5.613 0.618 0.916 1.00 0.24 H new ATOM 0 HG2 PRO A 8 -5.171 0.791 -2.004 1.00 0.26 H new ATOM 0 HG3 PRO A 8 -6.581 0.185 -1.158 1.00 0.26 H new ATOM 0 HD2 PRO A 8 -6.421 2.675 -2.558 1.00 0.24 H new ATOM 0 HD3 PRO A 8 -7.727 2.184 -1.498 1.00 0.24 H new ATOM 102 N THR A 9 -2.907 2.815 0.970 1.00 0.23 N ATOM 103 CA THR A 9 -1.553 3.442 0.958 1.00 0.24 C ATOM 104 C THR A 9 -0.483 2.351 0.994 1.00 0.24 C ATOM 105 O THR A 9 -0.491 1.483 1.844 1.00 0.25 O ATOM 106 CB THR A 9 -1.401 4.345 2.183 1.00 0.25 C ATOM 107 OG1 THR A 9 -2.573 5.134 2.334 1.00 0.26 O ATOM 108 CG2 THR A 9 -0.187 5.260 2.005 1.00 0.29 C ATOM 0 H THR A 9 -2.951 1.890 1.397 1.00 0.23 H new ATOM 0 HA THR A 9 -1.435 4.034 0.051 1.00 0.24 H new ATOM 0 HB THR A 9 -1.258 3.729 3.071 1.00 0.25 H new ATOM 0 HG1 THR A 9 -2.555 5.584 3.205 1.00 0.26 H new ATOM 0 HG21 THR A 9 -0.083 5.901 2.880 1.00 0.29 H new ATOM 0 HG22 THR A 9 0.712 4.654 1.890 1.00 0.29 H new ATOM 0 HG23 THR A 9 -0.324 5.877 1.117 1.00 0.29 H new ATOM 116 N ALA A 10 0.438 2.394 0.074 1.00 0.23 N ATOM 117 CA ALA A 10 1.515 1.368 0.042 1.00 0.23 C ATOM 118 C ALA A 10 2.443 1.554 1.242 1.00 0.22 C ATOM 119 O ALA A 10 3.493 2.154 1.136 1.00 0.27 O ATOM 120 CB ALA A 10 2.320 1.528 -1.246 1.00 0.23 C ATOM 0 H ALA A 10 0.491 3.099 -0.661 1.00 0.23 H new ATOM 0 HA ALA A 10 1.070 0.374 0.082 1.00 0.23 H new ATOM 0 HB1 ALA A 10 3.111 0.779 -1.276 1.00 0.23 H new ATOM 0 HB2 ALA A 10 1.662 1.396 -2.105 1.00 0.23 H new ATOM 0 HB3 ALA A 10 2.762 2.524 -1.278 1.00 0.23 H new ATOM 126 N CYS A 11 2.066 1.031 2.381 1.00 0.25 N ATOM 127 CA CYS A 11 2.922 1.156 3.602 1.00 0.25 C ATOM 128 C CYS A 11 3.521 -0.215 3.922 1.00 0.25 C ATOM 129 O CYS A 11 2.847 -1.225 3.862 1.00 0.26 O ATOM 130 CB CYS A 11 2.063 1.628 4.779 1.00 0.25 C ATOM 131 SG CYS A 11 1.147 3.114 4.297 1.00 0.33 S ATOM 0 H CYS A 11 1.195 0.518 2.519 1.00 0.25 H new ATOM 0 HA CYS A 11 3.720 1.878 3.428 1.00 0.25 H new ATOM 0 HB2 CYS A 11 1.370 0.841 5.077 1.00 0.25 H new ATOM 0 HB3 CYS A 11 2.694 1.840 5.642 1.00 0.25 H new ATOM 136 N CYS A 12 4.783 -0.264 4.248 1.00 0.24 N ATOM 137 CA CYS A 12 5.418 -1.576 4.556 1.00 0.24 C ATOM 138 C CYS A 12 4.901 -2.097 5.898 1.00 0.24 C ATOM 139 O CYS A 12 4.694 -1.345 6.830 1.00 0.27 O ATOM 140 CB CYS A 12 6.938 -1.409 4.629 1.00 0.24 C ATOM 141 SG CYS A 12 7.565 -0.849 3.025 1.00 0.24 S ATOM 0 H CYS A 12 5.400 0.545 4.314 1.00 0.24 H new ATOM 0 HA CYS A 12 5.167 -2.287 3.769 1.00 0.24 H new ATOM 0 HB2 CYS A 12 7.198 -0.688 5.404 1.00 0.24 H new ATOM 0 HB3 CYS A 12 7.405 -2.355 4.903 1.00 0.24 H new ATOM 146 N PHE A 13 4.699 -3.385 6.002 1.00 0.25 N ATOM 147 CA PHE A 13 4.206 -3.980 7.281 1.00 0.27 C ATOM 148 C PHE A 13 5.392 -4.614 8.007 1.00 0.24 C ATOM 149 O PHE A 13 5.350 -4.872 9.194 1.00 0.26 O ATOM 150 CB PHE A 13 3.166 -5.059 6.968 1.00 0.30 C ATOM 151 CG PHE A 13 3.831 -6.190 6.222 1.00 0.31 C ATOM 152 CD1 PHE A 13 4.106 -6.060 4.847 1.00 0.31 C ATOM 153 CD2 PHE A 13 4.184 -7.371 6.902 1.00 0.35 C ATOM 154 CE1 PHE A 13 4.734 -7.110 4.153 1.00 0.34 C ATOM 155 CE2 PHE A 13 4.813 -8.422 6.208 1.00 0.37 C ATOM 156 CZ PHE A 13 5.089 -8.292 4.833 1.00 0.37 C ATOM 0 H PHE A 13 4.856 -4.056 5.250 1.00 0.25 H new ATOM 0 HA PHE A 13 3.751 -3.211 7.905 1.00 0.27 H new ATOM 0 HB2 PHE A 13 2.720 -5.429 7.891 1.00 0.30 H new ATOM 0 HB3 PHE A 13 2.358 -4.639 6.370 1.00 0.30 H new ATOM 0 HD1 PHE A 13 3.835 -5.154 4.325 1.00 0.31 H new ATOM 0 HD2 PHE A 13 3.972 -7.471 7.956 1.00 0.35 H new ATOM 0 HE1 PHE A 13 4.944 -7.010 3.098 1.00 0.34 H new ATOM 0 HE2 PHE A 13 5.084 -9.328 6.730 1.00 0.37 H new ATOM 0 HZ PHE A 13 5.572 -9.098 4.300 1.00 0.37 H new ATOM 166 N SER A 14 6.453 -4.861 7.289 1.00 0.21 N ATOM 167 CA SER A 14 7.661 -5.476 7.903 1.00 0.20 C ATOM 168 C SER A 14 8.877 -5.118 7.048 1.00 0.18 C ATOM 169 O SER A 14 8.882 -4.125 6.350 1.00 0.17 O ATOM 170 CB SER A 14 7.497 -6.996 7.950 1.00 0.20 C ATOM 171 OG SER A 14 7.467 -7.506 6.624 1.00 0.25 O ATOM 0 H SER A 14 6.534 -4.660 6.292 1.00 0.21 H new ATOM 0 HA SER A 14 7.794 -5.102 8.918 1.00 0.20 H new ATOM 0 HB2 SER A 14 8.320 -7.445 8.506 1.00 0.20 H new ATOM 0 HB3 SER A 14 6.578 -7.258 8.474 1.00 0.20 H new ATOM 0 HG SER A 14 6.568 -7.394 6.251 1.00 0.25 H new ATOM 177 N TYR A 15 9.913 -5.913 7.093 1.00 0.19 N ATOM 178 CA TYR A 15 11.125 -5.604 6.278 1.00 0.20 C ATOM 179 C TYR A 15 11.890 -6.896 5.990 1.00 0.24 C ATOM 180 O TYR A 15 11.761 -7.873 6.701 1.00 0.29 O ATOM 181 CB TYR A 15 12.033 -4.640 7.056 1.00 0.22 C ATOM 182 CG TYR A 15 11.194 -3.610 7.771 1.00 0.21 C ATOM 183 CD1 TYR A 15 10.761 -2.455 7.092 1.00 0.21 C ATOM 184 CD2 TYR A 15 10.842 -3.805 9.121 1.00 0.25 C ATOM 185 CE1 TYR A 15 9.977 -1.497 7.762 1.00 0.23 C ATOM 186 CE2 TYR A 15 10.058 -2.846 9.791 1.00 0.28 C ATOM 187 CZ TYR A 15 9.626 -1.692 9.111 1.00 0.27 C ATOM 188 OH TYR A 15 8.857 -0.752 9.767 1.00 0.32 O ATOM 0 H TYR A 15 9.973 -6.761 7.657 1.00 0.19 H new ATOM 0 HA TYR A 15 10.821 -5.143 5.338 1.00 0.20 H new ATOM 0 HB2 TYR A 15 12.635 -5.195 7.776 1.00 0.22 H new ATOM 0 HB3 TYR A 15 12.725 -4.148 6.373 1.00 0.22 H new ATOM 0 HD1 TYR A 15 11.030 -2.304 6.057 1.00 0.21 H new ATOM 0 HD2 TYR A 15 11.174 -4.691 9.643 1.00 0.25 H new ATOM 0 HE1 TYR A 15 9.645 -0.612 7.241 1.00 0.23 H new ATOM 0 HE2 TYR A 15 9.788 -2.996 10.826 1.00 0.28 H new ATOM 0 HH TYR A 15 8.705 -1.041 10.691 1.00 0.32 H new ATOM 198 N THR A 16 12.695 -6.908 4.961 1.00 0.22 N ATOM 199 CA THR A 16 13.474 -8.138 4.653 1.00 0.28 C ATOM 200 C THR A 16 14.350 -8.472 5.865 1.00 0.32 C ATOM 201 O THR A 16 14.101 -8.005 6.958 1.00 0.38 O ATOM 202 CB THR A 16 14.334 -7.909 3.399 1.00 0.28 C ATOM 203 OG1 THR A 16 15.215 -9.007 3.216 1.00 0.39 O ATOM 204 CG2 THR A 16 15.146 -6.622 3.545 1.00 0.27 C ATOM 0 H THR A 16 12.845 -6.124 4.326 1.00 0.22 H new ATOM 0 HA THR A 16 12.804 -8.974 4.452 1.00 0.28 H new ATOM 0 HB THR A 16 13.678 -7.820 2.533 1.00 0.28 H new ATOM 0 HG1 THR A 16 15.760 -8.859 2.415 1.00 0.39 H new ATOM 0 HG21 THR A 16 15.751 -6.470 2.651 1.00 0.27 H new ATOM 0 HG22 THR A 16 14.469 -5.777 3.673 1.00 0.27 H new ATOM 0 HG23 THR A 16 15.798 -6.700 4.415 1.00 0.27 H new ATOM 212 N ALA A 17 15.365 -9.278 5.698 1.00 0.36 N ATOM 213 CA ALA A 17 16.237 -9.636 6.859 1.00 0.42 C ATOM 214 C ALA A 17 17.686 -9.755 6.392 1.00 0.45 C ATOM 215 O ALA A 17 18.535 -10.256 7.101 1.00 0.63 O ATOM 216 CB ALA A 17 15.782 -10.977 7.434 1.00 0.50 C ATOM 0 H ALA A 17 15.629 -9.704 4.810 1.00 0.36 H new ATOM 0 HA ALA A 17 16.163 -8.862 7.623 1.00 0.42 H new ATOM 0 HB1 ALA A 17 16.414 -11.243 8.281 1.00 0.50 H new ATOM 0 HB2 ALA A 17 14.746 -10.898 7.765 1.00 0.50 H new ATOM 0 HB3 ALA A 17 15.860 -11.747 6.667 1.00 0.50 H new ATOM 222 N ARG A 18 17.974 -9.297 5.204 1.00 0.47 N ATOM 223 CA ARG A 18 19.369 -9.383 4.679 1.00 0.48 C ATOM 224 C ARG A 18 19.693 -8.120 3.876 1.00 0.41 C ATOM 225 O ARG A 18 18.939 -7.709 3.016 1.00 0.37 O ATOM 226 CB ARG A 18 19.488 -10.610 3.769 1.00 0.53 C ATOM 227 CG ARG A 18 19.645 -11.871 4.624 1.00 0.70 C ATOM 228 CD ARG A 18 19.388 -13.107 3.762 1.00 1.15 C ATOM 229 NE ARG A 18 19.906 -14.316 4.462 1.00 1.96 N ATOM 230 CZ ARG A 18 19.543 -15.505 4.065 1.00 2.64 C ATOM 231 NH1 ARG A 18 18.726 -15.635 3.056 1.00 2.84 N ATOM 232 NH2 ARG A 18 19.996 -16.563 4.679 1.00 3.63 N ATOM 0 H ARG A 18 17.301 -8.865 4.571 1.00 0.47 H new ATOM 0 HA ARG A 18 20.068 -9.471 5.510 1.00 0.48 H new ATOM 0 HB2 ARG A 18 18.603 -10.694 3.138 1.00 0.53 H new ATOM 0 HB3 ARG A 18 20.345 -10.500 3.104 1.00 0.53 H new ATOM 0 HG2 ARG A 18 20.648 -11.913 5.048 1.00 0.70 H new ATOM 0 HG3 ARG A 18 18.946 -11.846 5.460 1.00 0.70 H new ATOM 0 HD2 ARG A 18 18.320 -13.214 3.570 1.00 1.15 H new ATOM 0 HD3 ARG A 18 19.877 -12.997 2.794 1.00 1.15 H new ATOM 0 HE ARG A 18 20.544 -14.214 5.251 1.00 1.96 H new ATOM 0 HH11 ARG A 18 18.371 -14.807 2.577 1.00 2.84 H new ATOM 0 HH12 ARG A 18 18.442 -16.564 2.746 1.00 2.84 H new ATOM 0 HH21 ARG A 18 20.633 -16.461 5.469 1.00 3.63 H new ATOM 0 HH22 ARG A 18 19.713 -17.493 4.369 1.00 3.63 H new ATOM 246 N LYS A 19 20.817 -7.513 4.140 1.00 0.40 N ATOM 247 CA LYS A 19 21.198 -6.291 3.380 1.00 0.35 C ATOM 248 C LYS A 19 21.361 -6.683 1.909 1.00 0.31 C ATOM 249 O LYS A 19 22.056 -7.624 1.580 1.00 0.33 O ATOM 250 CB LYS A 19 22.521 -5.742 3.954 1.00 0.38 C ATOM 251 CG LYS A 19 23.078 -4.584 3.097 1.00 0.40 C ATOM 252 CD LYS A 19 24.574 -4.397 3.382 1.00 0.62 C ATOM 253 CE LYS A 19 24.817 -4.316 4.890 1.00 0.97 C ATOM 254 NZ LYS A 19 26.161 -3.724 5.144 1.00 1.79 N ATOM 0 H LYS A 19 21.487 -7.811 4.849 1.00 0.40 H new ATOM 0 HA LYS A 19 20.437 -5.515 3.464 1.00 0.35 H new ATOM 0 HB2 LYS A 19 22.359 -5.394 4.974 1.00 0.38 H new ATOM 0 HB3 LYS A 19 23.257 -6.545 4.004 1.00 0.38 H new ATOM 0 HG2 LYS A 19 22.924 -4.796 2.039 1.00 0.40 H new ATOM 0 HG3 LYS A 19 22.539 -3.663 3.319 1.00 0.40 H new ATOM 0 HD2 LYS A 19 25.139 -5.228 2.959 1.00 0.62 H new ATOM 0 HD3 LYS A 19 24.933 -3.488 2.899 1.00 0.62 H new ATOM 0 HE2 LYS A 19 24.045 -3.708 5.362 1.00 0.97 H new ATOM 0 HE3 LYS A 19 24.756 -5.310 5.333 1.00 0.97 H new ATOM 0 HZ1 LYS A 19 26.328 -3.668 6.169 1.00 1.79 H new ATOM 0 HZ2 LYS A 19 26.892 -4.321 4.706 1.00 1.79 H new ATOM 0 HZ3 LYS A 19 26.203 -2.769 4.734 1.00 1.79 H new ATOM 268 N LEU A 20 20.723 -5.970 1.023 1.00 0.27 N ATOM 269 CA LEU A 20 20.839 -6.305 -0.422 1.00 0.27 C ATOM 270 C LEU A 20 22.238 -5.889 -0.929 1.00 0.27 C ATOM 271 O LEU A 20 22.624 -4.755 -0.725 1.00 0.27 O ATOM 272 CB LEU A 20 19.786 -5.520 -1.207 1.00 0.24 C ATOM 273 CG LEU A 20 18.422 -5.628 -0.524 1.00 0.23 C ATOM 274 CD1 LEU A 20 17.363 -4.997 -1.428 1.00 0.22 C ATOM 275 CD2 LEU A 20 18.073 -7.101 -0.283 1.00 0.27 C ATOM 0 H LEU A 20 20.127 -5.171 1.238 1.00 0.27 H new ATOM 0 HA LEU A 20 20.691 -7.376 -0.560 1.00 0.27 H new ATOM 0 HB2 LEU A 20 20.082 -4.473 -1.279 1.00 0.24 H new ATOM 0 HB3 LEU A 20 19.721 -5.904 -2.225 1.00 0.24 H new ATOM 0 HG LEU A 20 18.453 -5.109 0.434 1.00 0.23 H new ATOM 0 HD11 LEU A 20 16.386 -5.069 -0.949 1.00 0.22 H new ATOM 0 HD12 LEU A 20 17.607 -3.948 -1.598 1.00 0.22 H new ATOM 0 HD13 LEU A 20 17.339 -5.523 -2.382 1.00 0.22 H new ATOM 0 HD21 LEU A 20 17.100 -7.169 0.204 1.00 0.27 H new ATOM 0 HD22 LEU A 20 18.039 -7.628 -1.237 1.00 0.27 H new ATOM 0 HD23 LEU A 20 18.831 -7.555 0.356 1.00 0.27 H new ATOM 287 N PRO A 21 22.972 -6.777 -1.587 1.00 0.31 N ATOM 288 CA PRO A 21 24.302 -6.409 -2.105 1.00 0.34 C ATOM 289 C PRO A 21 24.189 -5.163 -2.987 1.00 0.30 C ATOM 290 O PRO A 21 23.235 -4.999 -3.719 1.00 0.29 O ATOM 291 CB PRO A 21 24.762 -7.629 -2.934 1.00 0.39 C ATOM 292 CG PRO A 21 23.739 -8.772 -2.682 1.00 0.42 C ATOM 293 CD PRO A 21 22.569 -8.176 -1.869 1.00 0.35 C ATOM 0 HA PRO A 21 25.010 -6.174 -1.310 1.00 0.34 H new ATOM 0 HB2 PRO A 21 24.805 -7.379 -3.994 1.00 0.39 H new ATOM 0 HB3 PRO A 21 25.764 -7.938 -2.638 1.00 0.39 H new ATOM 0 HG2 PRO A 21 23.380 -9.181 -3.627 1.00 0.42 H new ATOM 0 HG3 PRO A 21 24.207 -9.592 -2.137 1.00 0.42 H new ATOM 0 HD2 PRO A 21 21.637 -8.212 -2.433 1.00 0.35 H new ATOM 0 HD3 PRO A 21 22.405 -8.733 -0.947 1.00 0.35 H new ATOM 301 N ARG A 22 25.162 -4.299 -2.941 1.00 0.31 N ATOM 302 CA ARG A 22 25.107 -3.088 -3.802 1.00 0.30 C ATOM 303 C ARG A 22 24.812 -3.523 -5.238 1.00 0.31 C ATOM 304 O ARG A 22 24.111 -2.856 -5.972 1.00 0.31 O ATOM 305 CB ARG A 22 26.448 -2.359 -3.752 1.00 0.33 C ATOM 306 CG ARG A 22 26.343 -1.059 -4.558 1.00 0.69 C ATOM 307 CD ARG A 22 27.639 -0.241 -4.422 1.00 1.24 C ATOM 308 NE ARG A 22 27.315 1.221 -4.456 1.00 1.34 N ATOM 309 CZ ARG A 22 26.551 1.727 -5.389 1.00 2.07 C ATOM 310 NH1 ARG A 22 26.202 1.009 -6.421 1.00 2.89 N ATOM 311 NH2 ARG A 22 26.182 2.977 -5.317 1.00 2.44 N ATOM 0 H ARG A 22 25.988 -4.378 -2.348 1.00 0.31 H new ATOM 0 HA ARG A 22 24.326 -2.416 -3.448 1.00 0.30 H new ATOM 0 HB2 ARG A 22 26.719 -2.140 -2.719 1.00 0.33 H new ATOM 0 HB3 ARG A 22 27.236 -2.992 -4.161 1.00 0.33 H new ATOM 0 HG2 ARG A 22 26.158 -1.288 -5.607 1.00 0.69 H new ATOM 0 HG3 ARG A 22 25.495 -0.472 -4.205 1.00 0.69 H new ATOM 0 HD2 ARG A 22 28.143 -0.491 -3.488 1.00 1.24 H new ATOM 0 HD3 ARG A 22 28.325 -0.491 -5.231 1.00 1.24 H new ATOM 0 HE ARG A 22 27.698 1.834 -3.737 1.00 1.34 H new ATOM 0 HH11 ARG A 22 26.525 0.045 -6.505 1.00 2.89 H new ATOM 0 HH12 ARG A 22 25.606 1.411 -7.144 1.00 2.89 H new ATOM 0 HH21 ARG A 22 26.490 3.555 -4.535 1.00 2.44 H new ATOM 0 HH22 ARG A 22 25.586 3.375 -6.043 1.00 2.44 H new ATOM 325 N ASN A 23 25.343 -4.649 -5.637 1.00 0.34 N ATOM 326 CA ASN A 23 25.096 -5.143 -7.020 1.00 0.37 C ATOM 327 C ASN A 23 23.667 -5.682 -7.126 1.00 0.37 C ATOM 328 O ASN A 23 23.346 -6.432 -8.028 1.00 0.40 O ATOM 329 CB ASN A 23 26.091 -6.257 -7.355 1.00 0.42 C ATOM 330 CG ASN A 23 26.169 -7.244 -6.189 1.00 1.47 C ATOM 331 OD1 ASN A 23 26.813 -6.975 -5.194 1.00 2.16 O ATOM 332 ND2 ASN A 23 25.538 -8.382 -6.270 1.00 2.38 N ATOM 0 H ASN A 23 25.937 -5.247 -5.063 1.00 0.34 H new ATOM 0 HA ASN A 23 25.225 -4.321 -7.724 1.00 0.37 H new ATOM 0 HB2 ASN A 23 25.781 -6.775 -8.263 1.00 0.42 H new ATOM 0 HB3 ASN A 23 27.075 -5.832 -7.551 1.00 0.42 H new ATOM 0 HD21 ASN A 23 25.585 -9.047 -5.498 1.00 2.38 H new ATOM 0 HD22 ASN A 23 24.998 -8.607 -7.105 1.00 2.38 H new ATOM 339 N PHE A 24 22.807 -5.315 -6.209 1.00 0.33 N ATOM 340 CA PHE A 24 21.395 -5.814 -6.251 1.00 0.33 C ATOM 341 C PHE A 24 20.454 -4.663 -5.878 1.00 0.30 C ATOM 342 O PHE A 24 19.379 -4.869 -5.349 1.00 0.28 O ATOM 343 CB PHE A 24 21.242 -6.969 -5.243 1.00 0.33 C ATOM 344 CG PHE A 24 20.063 -7.848 -5.609 1.00 0.35 C ATOM 345 CD1 PHE A 24 20.045 -8.522 -6.850 1.00 0.39 C ATOM 346 CD2 PHE A 24 18.986 -8.006 -4.712 1.00 0.35 C ATOM 347 CE1 PHE A 24 18.957 -9.345 -7.189 1.00 0.41 C ATOM 348 CE2 PHE A 24 17.897 -8.830 -5.054 1.00 0.37 C ATOM 349 CZ PHE A 24 17.882 -9.500 -6.292 1.00 0.41 C ATOM 0 H PHE A 24 23.021 -4.690 -5.431 1.00 0.33 H new ATOM 0 HA PHE A 24 21.148 -6.175 -7.249 1.00 0.33 H new ATOM 0 HB2 PHE A 24 22.154 -7.565 -5.225 1.00 0.33 H new ATOM 0 HB3 PHE A 24 21.104 -6.566 -4.240 1.00 0.33 H new ATOM 0 HD1 PHE A 24 20.868 -8.405 -7.539 1.00 0.39 H new ATOM 0 HD2 PHE A 24 18.997 -7.494 -3.761 1.00 0.35 H new ATOM 0 HE1 PHE A 24 18.945 -9.859 -8.139 1.00 0.41 H new ATOM 0 HE2 PHE A 24 17.073 -8.948 -4.366 1.00 0.37 H new ATOM 0 HZ PHE A 24 17.047 -10.133 -6.554 1.00 0.41 H new ATOM 359 N VAL A 25 20.858 -3.453 -6.157 1.00 0.30 N ATOM 360 CA VAL A 25 20.006 -2.269 -5.834 1.00 0.28 C ATOM 361 C VAL A 25 20.284 -1.169 -6.859 1.00 0.30 C ATOM 362 O VAL A 25 21.142 -0.330 -6.665 1.00 0.31 O ATOM 363 CB VAL A 25 20.354 -1.752 -4.436 1.00 0.24 C ATOM 364 CG1 VAL A 25 19.402 -0.617 -4.057 1.00 0.22 C ATOM 365 CG2 VAL A 25 20.219 -2.883 -3.416 1.00 0.23 C ATOM 0 H VAL A 25 21.750 -3.231 -6.599 1.00 0.30 H new ATOM 0 HA VAL A 25 18.954 -2.553 -5.863 1.00 0.28 H new ATOM 0 HB VAL A 25 21.380 -1.385 -4.438 1.00 0.24 H new ATOM 0 HG11 VAL A 25 19.651 -0.250 -3.061 1.00 0.22 H new ATOM 0 HG12 VAL A 25 19.499 0.195 -4.778 1.00 0.22 H new ATOM 0 HG13 VAL A 25 18.376 -0.986 -4.062 1.00 0.22 H new ATOM 0 HG21 VAL A 25 20.468 -2.509 -2.423 1.00 0.23 H new ATOM 0 HG22 VAL A 25 19.194 -3.254 -3.418 1.00 0.23 H new ATOM 0 HG23 VAL A 25 20.899 -3.693 -3.679 1.00 0.23 H new ATOM 375 N VAL A 26 19.575 -1.170 -7.954 1.00 0.33 N ATOM 376 CA VAL A 26 19.806 -0.131 -8.996 1.00 0.36 C ATOM 377 C VAL A 26 19.013 1.127 -8.655 1.00 0.35 C ATOM 378 O VAL A 26 19.200 2.168 -9.251 1.00 0.37 O ATOM 379 CB VAL A 26 19.348 -0.669 -10.351 1.00 0.41 C ATOM 380 CG1 VAL A 26 20.295 -1.780 -10.801 1.00 0.78 C ATOM 381 CG2 VAL A 26 17.928 -1.229 -10.224 1.00 0.61 C ATOM 0 H VAL A 26 18.844 -1.847 -8.172 1.00 0.33 H new ATOM 0 HA VAL A 26 20.867 0.114 -9.036 1.00 0.36 H new ATOM 0 HB VAL A 26 19.356 0.137 -11.085 1.00 0.41 H new ATOM 0 HG11 VAL A 26 19.970 -2.166 -11.767 1.00 0.78 H new ATOM 0 HG12 VAL A 26 21.306 -1.382 -10.890 1.00 0.78 H new ATOM 0 HG13 VAL A 26 20.285 -2.586 -10.067 1.00 0.78 H new ATOM 0 HG21 VAL A 26 17.601 -1.613 -11.190 1.00 0.61 H new ATOM 0 HG22 VAL A 26 17.919 -2.036 -9.491 1.00 0.61 H new ATOM 0 HG23 VAL A 26 17.252 -0.437 -9.900 1.00 0.61 H new ATOM 391 N ASP A 27 18.129 1.045 -7.703 1.00 0.32 N ATOM 392 CA ASP A 27 17.333 2.248 -7.340 1.00 0.31 C ATOM 393 C ASP A 27 16.553 1.972 -6.061 1.00 0.27 C ATOM 394 O ASP A 27 16.725 0.951 -5.424 1.00 0.25 O ATOM 395 CB ASP A 27 16.355 2.570 -8.473 1.00 0.34 C ATOM 396 CG ASP A 27 15.781 3.973 -8.270 1.00 0.35 C ATOM 397 OD1 ASP A 27 16.563 4.907 -8.205 1.00 1.09 O ATOM 398 OD2 ASP A 27 14.570 4.090 -8.181 1.00 1.13 O ATOM 0 H ASP A 27 17.924 0.204 -7.164 1.00 0.32 H new ATOM 0 HA ASP A 27 18.002 3.094 -7.183 1.00 0.31 H new ATOM 0 HB2 ASP A 27 16.864 2.510 -9.435 1.00 0.34 H new ATOM 0 HB3 ASP A 27 15.550 1.836 -8.492 1.00 0.34 H new ATOM 403 N TYR A 28 15.692 2.872 -5.679 1.00 0.26 N ATOM 404 CA TYR A 28 14.896 2.657 -4.443 1.00 0.23 C ATOM 405 C TYR A 28 13.610 3.472 -4.510 1.00 0.25 C ATOM 406 O TYR A 28 13.301 4.099 -5.504 1.00 0.29 O ATOM 407 CB TYR A 28 15.713 3.060 -3.208 1.00 0.19 C ATOM 408 CG TYR A 28 15.829 4.570 -3.109 1.00 0.21 C ATOM 409 CD1 TYR A 28 16.503 5.297 -4.110 1.00 0.25 C ATOM 410 CD2 TYR A 28 15.274 5.247 -2.004 1.00 0.19 C ATOM 411 CE1 TYR A 28 16.619 6.696 -4.008 1.00 0.26 C ATOM 412 CE2 TYR A 28 15.390 6.645 -1.900 1.00 0.22 C ATOM 413 CZ TYR A 28 16.063 7.371 -2.903 1.00 0.25 C ATOM 414 OH TYR A 28 16.177 8.743 -2.803 1.00 0.28 O ATOM 0 H TYR A 28 15.506 3.747 -6.170 1.00 0.26 H new ATOM 0 HA TYR A 28 14.644 1.599 -4.363 1.00 0.23 H new ATOM 0 HB2 TYR A 28 15.239 2.667 -2.309 1.00 0.19 H new ATOM 0 HB3 TYR A 28 16.707 2.617 -3.264 1.00 0.19 H new ATOM 0 HD1 TYR A 28 16.931 4.780 -4.956 1.00 0.25 H new ATOM 0 HD2 TYR A 28 14.758 4.691 -1.235 1.00 0.19 H new ATOM 0 HE1 TYR A 28 17.134 7.252 -4.777 1.00 0.26 H new ATOM 0 HE2 TYR A 28 14.964 7.161 -1.053 1.00 0.22 H new ATOM 0 HH TYR A 28 15.738 9.049 -1.982 1.00 0.28 H new ATOM 424 N TYR A 29 12.853 3.445 -3.459 1.00 0.23 N ATOM 425 CA TYR A 29 11.570 4.189 -3.433 1.00 0.25 C ATOM 426 C TYR A 29 11.137 4.353 -1.972 1.00 0.22 C ATOM 427 O TYR A 29 11.276 3.449 -1.179 1.00 0.23 O ATOM 428 CB TYR A 29 10.535 3.378 -4.234 1.00 0.29 C ATOM 429 CG TYR A 29 9.129 3.789 -3.865 1.00 0.31 C ATOM 430 CD1 TYR A 29 8.736 5.130 -4.002 1.00 0.36 C ATOM 431 CD2 TYR A 29 8.215 2.830 -3.384 1.00 0.35 C ATOM 432 CE1 TYR A 29 7.427 5.520 -3.657 1.00 0.39 C ATOM 433 CE2 TYR A 29 6.906 3.217 -3.039 1.00 0.38 C ATOM 434 CZ TYR A 29 6.512 4.563 -3.176 1.00 0.36 C ATOM 435 OH TYR A 29 5.229 4.944 -2.837 1.00 0.39 O ATOM 0 H TYR A 29 13.070 2.933 -2.604 1.00 0.23 H new ATOM 0 HA TYR A 29 11.666 5.179 -3.879 1.00 0.25 H new ATOM 0 HB2 TYR A 29 10.695 3.530 -5.302 1.00 0.29 H new ATOM 0 HB3 TYR A 29 10.671 2.314 -4.040 1.00 0.29 H new ATOM 0 HD1 TYR A 29 9.438 5.863 -4.372 1.00 0.36 H new ATOM 0 HD2 TYR A 29 8.519 1.799 -3.280 1.00 0.35 H new ATOM 0 HE1 TYR A 29 7.125 6.552 -3.761 1.00 0.39 H new ATOM 0 HE2 TYR A 29 6.205 2.483 -2.670 1.00 0.38 H new ATOM 0 HH TYR A 29 4.727 4.162 -2.524 1.00 0.39 H new ATOM 445 N GLU A 30 10.623 5.495 -1.601 1.00 0.22 N ATOM 446 CA GLU A 30 10.191 5.697 -0.181 1.00 0.20 C ATOM 447 C GLU A 30 8.684 5.451 -0.066 1.00 0.21 C ATOM 448 O GLU A 30 7.951 5.550 -1.029 1.00 0.24 O ATOM 449 CB GLU A 30 10.510 7.126 0.253 1.00 0.22 C ATOM 450 CG GLU A 30 12.010 7.385 0.099 1.00 0.25 C ATOM 451 CD GLU A 30 12.351 7.543 -1.384 1.00 0.69 C ATOM 452 OE1 GLU A 30 12.190 8.639 -1.894 1.00 1.35 O ATOM 453 OE2 GLU A 30 12.768 6.565 -1.983 1.00 1.43 O ATOM 0 H GLU A 30 10.482 6.297 -2.216 1.00 0.22 H new ATOM 0 HA GLU A 30 10.723 4.997 0.463 1.00 0.20 H new ATOM 0 HB2 GLU A 30 9.944 7.835 -0.351 1.00 0.22 H new ATOM 0 HB3 GLU A 30 10.209 7.278 1.289 1.00 0.22 H new ATOM 0 HG2 GLU A 30 12.293 8.285 0.646 1.00 0.25 H new ATOM 0 HG3 GLU A 30 12.578 6.560 0.528 1.00 0.25 H new ATOM 460 N THR A 31 8.222 5.119 1.108 1.00 0.19 N ATOM 461 CA THR A 31 6.765 4.850 1.298 1.00 0.21 C ATOM 462 C THR A 31 5.972 6.156 1.259 1.00 0.25 C ATOM 463 O THR A 31 6.465 7.188 0.850 1.00 0.27 O ATOM 464 CB THR A 31 6.556 4.187 2.659 1.00 0.20 C ATOM 465 OG1 THR A 31 7.227 4.950 3.647 1.00 0.21 O ATOM 466 CG2 THR A 31 7.116 2.764 2.622 1.00 0.20 C ATOM 0 H THR A 31 8.792 5.022 1.948 1.00 0.19 H new ATOM 0 HA THR A 31 6.418 4.198 0.497 1.00 0.21 H new ATOM 0 HB THR A 31 5.493 4.141 2.896 1.00 0.20 H new ATOM 0 HG1 THR A 31 7.487 5.817 3.270 1.00 0.21 H new ATOM 0 HG21 THR A 31 6.968 2.289 3.592 1.00 0.20 H new ATOM 0 HG22 THR A 31 6.599 2.189 1.854 1.00 0.20 H new ATOM 0 HG23 THR A 31 8.181 2.798 2.394 1.00 0.20 H new ATOM 474 N SER A 32 4.741 6.109 1.693 1.00 0.27 N ATOM 475 CA SER A 32 3.891 7.332 1.699 1.00 0.31 C ATOM 476 C SER A 32 4.109 8.096 3.003 1.00 0.33 C ATOM 477 O SER A 32 5.208 8.185 3.513 1.00 0.33 O ATOM 478 CB SER A 32 2.423 6.924 1.596 1.00 0.33 C ATOM 479 OG SER A 32 1.634 8.074 1.323 1.00 1.27 O ATOM 0 H SER A 32 4.285 5.268 2.046 1.00 0.27 H new ATOM 0 HA SER A 32 4.159 7.967 0.854 1.00 0.31 H new ATOM 0 HB2 SER A 32 2.294 6.184 0.806 1.00 0.33 H new ATOM 0 HB3 SER A 32 2.097 6.458 2.526 1.00 0.33 H new ATOM 0 HG SER A 32 0.691 7.815 1.255 1.00 1.27 H new ATOM 485 N SER A 33 3.061 8.649 3.543 1.00 0.36 N ATOM 486 CA SER A 33 3.174 9.419 4.819 1.00 0.40 C ATOM 487 C SER A 33 1.917 9.184 5.650 1.00 0.40 C ATOM 488 O SER A 33 1.962 9.107 6.861 1.00 0.42 O ATOM 489 CB SER A 33 3.283 10.904 4.497 1.00 0.46 C ATOM 490 OG SER A 33 1.985 11.425 4.246 1.00 0.48 O ATOM 0 H SER A 33 2.120 8.602 3.153 1.00 0.36 H new ATOM 0 HA SER A 33 4.055 9.094 5.372 1.00 0.40 H new ATOM 0 HB2 SER A 33 3.747 11.435 5.328 1.00 0.46 H new ATOM 0 HB3 SER A 33 3.922 11.054 3.627 1.00 0.46 H new ATOM 0 HG SER A 33 1.585 10.954 3.485 1.00 0.48 H new ATOM 496 N LEU A 34 0.796 9.081 4.991 1.00 0.39 N ATOM 497 CA LEU A 34 -0.500 8.858 5.699 1.00 0.39 C ATOM 498 C LEU A 34 -0.314 7.874 6.856 1.00 0.37 C ATOM 499 O LEU A 34 -0.613 8.173 7.995 1.00 0.40 O ATOM 500 CB LEU A 34 -1.523 8.280 4.717 1.00 0.36 C ATOM 501 CG LEU A 34 -1.432 9.003 3.373 1.00 0.39 C ATOM 502 CD1 LEU A 34 -2.584 8.545 2.474 1.00 0.40 C ATOM 503 CD2 LEU A 34 -1.525 10.516 3.595 1.00 0.45 C ATOM 0 H LEU A 34 0.720 9.143 3.976 1.00 0.39 H new ATOM 0 HA LEU A 34 -0.852 9.812 6.092 1.00 0.39 H new ATOM 0 HB2 LEU A 34 -1.342 7.214 4.578 1.00 0.36 H new ATOM 0 HB3 LEU A 34 -2.528 8.382 5.126 1.00 0.36 H new ATOM 0 HG LEU A 34 -0.480 8.768 2.896 1.00 0.39 H new ATOM 0 HD11 LEU A 34 -2.523 9.058 1.514 1.00 0.40 H new ATOM 0 HD12 LEU A 34 -2.516 7.469 2.315 1.00 0.40 H new ATOM 0 HD13 LEU A 34 -3.535 8.781 2.952 1.00 0.40 H new ATOM 0 HD21 LEU A 34 -1.460 11.029 2.636 1.00 0.45 H new ATOM 0 HD22 LEU A 34 -2.476 10.756 4.071 1.00 0.45 H new ATOM 0 HD23 LEU A 34 -0.706 10.841 4.236 1.00 0.45 H new ATOM 515 N CYS A 35 0.172 6.702 6.568 1.00 0.33 N ATOM 516 CA CYS A 35 0.372 5.697 7.647 1.00 0.34 C ATOM 517 C CYS A 35 1.527 6.143 8.549 1.00 0.39 C ATOM 518 O CYS A 35 2.590 6.497 8.088 1.00 0.38 O ATOM 519 CB CYS A 35 0.679 4.329 7.026 1.00 0.32 C ATOM 520 SG CYS A 35 1.768 4.533 5.596 1.00 0.39 S ATOM 0 H CYS A 35 0.440 6.396 5.633 1.00 0.33 H new ATOM 0 HA CYS A 35 -0.535 5.615 8.246 1.00 0.34 H new ATOM 0 HB2 CYS A 35 1.152 3.682 7.765 1.00 0.32 H new ATOM 0 HB3 CYS A 35 -0.247 3.842 6.722 1.00 0.32 H new ATOM 525 N SER A 36 1.310 6.155 9.834 1.00 0.44 N ATOM 526 CA SER A 36 2.376 6.595 10.781 1.00 0.51 C ATOM 527 C SER A 36 3.565 5.620 10.781 1.00 0.51 C ATOM 528 O SER A 36 4.217 5.448 11.791 1.00 0.58 O ATOM 529 CB SER A 36 1.791 6.671 12.192 1.00 0.59 C ATOM 530 OG SER A 36 0.590 7.431 12.162 1.00 1.41 O ATOM 0 H SER A 36 0.433 5.877 10.274 1.00 0.44 H new ATOM 0 HA SER A 36 2.736 7.573 10.461 1.00 0.51 H new ATOM 0 HB2 SER A 36 1.591 5.668 12.570 1.00 0.59 H new ATOM 0 HB3 SER A 36 2.509 7.130 12.872 1.00 0.59 H new ATOM 0 HG SER A 36 0.211 7.480 13.065 1.00 1.41 H new ATOM 536 N GLN A 37 3.870 4.974 9.681 1.00 0.45 N ATOM 537 CA GLN A 37 5.030 4.025 9.692 1.00 0.47 C ATOM 538 C GLN A 37 5.630 3.871 8.285 1.00 0.36 C ATOM 539 O GLN A 37 5.579 2.798 7.721 1.00 0.35 O ATOM 540 CB GLN A 37 4.557 2.657 10.192 1.00 0.55 C ATOM 541 CG GLN A 37 3.253 2.270 9.490 1.00 0.78 C ATOM 542 CD GLN A 37 2.868 0.843 9.880 1.00 0.79 C ATOM 543 OE1 GLN A 37 2.175 0.634 10.856 1.00 1.24 O ATOM 544 NE2 GLN A 37 3.291 -0.155 9.154 1.00 1.47 N ATOM 0 H GLN A 37 3.377 5.059 8.792 1.00 0.45 H new ATOM 0 HA GLN A 37 5.799 4.425 10.353 1.00 0.47 H new ATOM 0 HB2 GLN A 37 5.322 1.905 9.999 1.00 0.55 H new ATOM 0 HB3 GLN A 37 4.405 2.687 11.271 1.00 0.55 H new ATOM 0 HG2 GLN A 37 2.458 2.962 9.769 1.00 0.78 H new ATOM 0 HG3 GLN A 37 3.374 2.343 8.409 1.00 0.78 H new ATOM 0 HE21 GLN A 37 3.873 0.021 8.335 1.00 1.47 H new ATOM 0 HE22 GLN A 37 3.040 -1.111 9.406 1.00 1.47 H new ATOM 553 N PRO A 38 6.206 4.933 7.763 1.00 0.34 N ATOM 554 CA PRO A 38 6.839 4.889 6.430 1.00 0.26 C ATOM 555 C PRO A 38 8.106 4.022 6.500 1.00 0.25 C ATOM 556 O PRO A 38 8.488 3.543 7.548 1.00 0.27 O ATOM 557 CB PRO A 38 7.188 6.362 6.113 1.00 0.33 C ATOM 558 CG PRO A 38 6.931 7.190 7.406 1.00 0.43 C ATOM 559 CD PRO A 38 6.268 6.248 8.437 1.00 0.43 C ATOM 0 HA PRO A 38 6.197 4.457 5.662 1.00 0.26 H new ATOM 0 HB2 PRO A 38 8.228 6.451 5.801 1.00 0.33 H new ATOM 0 HB3 PRO A 38 6.576 6.733 5.291 1.00 0.33 H new ATOM 0 HG2 PRO A 38 7.866 7.589 7.798 1.00 0.43 H new ATOM 0 HG3 PRO A 38 6.285 8.042 7.194 1.00 0.43 H new ATOM 0 HD2 PRO A 38 6.852 6.194 9.356 1.00 0.43 H new ATOM 0 HD3 PRO A 38 5.273 6.599 8.711 1.00 0.43 H new ATOM 567 N ALA A 39 8.753 3.830 5.389 1.00 0.23 N ATOM 568 CA ALA A 39 9.993 3.015 5.363 1.00 0.22 C ATOM 569 C ALA A 39 10.671 3.225 4.013 1.00 0.19 C ATOM 570 O ALA A 39 10.094 3.798 3.111 1.00 0.22 O ATOM 571 CB ALA A 39 9.640 1.535 5.534 1.00 0.23 C ATOM 0 H ALA A 39 8.471 4.209 4.485 1.00 0.23 H new ATOM 0 HA ALA A 39 10.659 3.315 6.172 1.00 0.22 H new ATOM 0 HB1 ALA A 39 10.552 0.939 5.515 1.00 0.23 H new ATOM 0 HB2 ALA A 39 9.132 1.390 6.487 1.00 0.23 H new ATOM 0 HB3 ALA A 39 8.984 1.221 4.722 1.00 0.23 H new ATOM 577 N VAL A 40 11.877 2.753 3.850 1.00 0.15 N ATOM 578 CA VAL A 40 12.568 2.914 2.536 1.00 0.13 C ATOM 579 C VAL A 40 12.383 1.616 1.754 1.00 0.13 C ATOM 580 O VAL A 40 12.353 0.541 2.319 1.00 0.18 O ATOM 581 CB VAL A 40 14.062 3.190 2.760 1.00 0.12 C ATOM 582 CG1 VAL A 40 14.836 2.953 1.458 1.00 0.12 C ATOM 583 CG2 VAL A 40 14.245 4.645 3.190 1.00 0.16 C ATOM 0 H VAL A 40 12.413 2.264 4.567 1.00 0.15 H new ATOM 0 HA VAL A 40 12.148 3.754 1.982 1.00 0.13 H new ATOM 0 HB VAL A 40 14.439 2.521 3.533 1.00 0.12 H new ATOM 0 HG11 VAL A 40 15.895 3.150 1.623 1.00 0.12 H new ATOM 0 HG12 VAL A 40 14.705 1.919 1.140 1.00 0.12 H new ATOM 0 HG13 VAL A 40 14.459 3.621 0.684 1.00 0.12 H new ATOM 0 HG21 VAL A 40 15.304 4.847 3.350 1.00 0.16 H new ATOM 0 HG22 VAL A 40 13.864 5.305 2.411 1.00 0.16 H new ATOM 0 HG23 VAL A 40 13.698 4.822 4.116 1.00 0.16 H new ATOM 593 N VAL A 41 12.239 1.718 0.462 1.00 0.15 N ATOM 594 CA VAL A 41 12.030 0.502 -0.388 1.00 0.16 C ATOM 595 C VAL A 41 13.152 0.399 -1.425 1.00 0.16 C ATOM 596 O VAL A 41 13.316 1.262 -2.258 1.00 0.18 O ATOM 597 CB VAL A 41 10.678 0.628 -1.090 1.00 0.21 C ATOM 598 CG1 VAL A 41 10.232 -0.733 -1.613 1.00 0.25 C ATOM 599 CG2 VAL A 41 9.638 1.145 -0.093 1.00 0.23 C ATOM 0 H VAL A 41 12.257 2.600 -0.051 1.00 0.15 H new ATOM 0 HA VAL A 41 12.043 -0.396 0.230 1.00 0.16 H new ATOM 0 HB VAL A 41 10.773 1.322 -1.925 1.00 0.21 H new ATOM 0 HG11 VAL A 41 9.268 -0.633 -2.112 1.00 0.25 H new ATOM 0 HG12 VAL A 41 10.970 -1.110 -2.322 1.00 0.25 H new ATOM 0 HG13 VAL A 41 10.139 -1.430 -0.780 1.00 0.25 H new ATOM 0 HG21 VAL A 41 8.672 1.236 -0.590 1.00 0.23 H new ATOM 0 HG22 VAL A 41 9.553 0.447 0.740 1.00 0.23 H new ATOM 0 HG23 VAL A 41 9.947 2.121 0.282 1.00 0.23 H new ATOM 609 N PHE A 42 13.933 -0.648 -1.382 1.00 0.15 N ATOM 610 CA PHE A 42 15.048 -0.789 -2.368 1.00 0.17 C ATOM 611 C PHE A 42 14.564 -1.546 -3.608 1.00 0.21 C ATOM 612 O PHE A 42 13.906 -2.563 -3.514 1.00 0.23 O ATOM 613 CB PHE A 42 16.205 -1.565 -1.728 1.00 0.16 C ATOM 614 CG PHE A 42 16.951 -0.670 -0.764 1.00 0.14 C ATOM 615 CD1 PHE A 42 17.650 0.455 -1.245 1.00 0.14 C ATOM 616 CD2 PHE A 42 16.954 -0.962 0.614 1.00 0.13 C ATOM 617 CE1 PHE A 42 18.350 1.286 -0.350 1.00 0.14 C ATOM 618 CE2 PHE A 42 17.655 -0.132 1.509 1.00 0.14 C ATOM 619 CZ PHE A 42 18.353 0.992 1.026 1.00 0.14 C ATOM 0 H PHE A 42 13.849 -1.410 -0.709 1.00 0.15 H new ATOM 0 HA PHE A 42 15.385 0.205 -2.661 1.00 0.17 H new ATOM 0 HB2 PHE A 42 15.822 -2.440 -1.204 1.00 0.16 H new ATOM 0 HB3 PHE A 42 16.883 -1.928 -2.501 1.00 0.16 H new ATOM 0 HD1 PHE A 42 17.649 0.680 -2.301 1.00 0.14 H new ATOM 0 HD2 PHE A 42 16.418 -1.823 0.984 1.00 0.13 H new ATOM 0 HE1 PHE A 42 18.884 2.149 -0.719 1.00 0.14 H new ATOM 0 HE2 PHE A 42 17.658 -0.357 2.565 1.00 0.14 H new ATOM 0 HZ PHE A 42 18.891 1.629 1.713 1.00 0.14 H new ATOM 629 N GLN A 43 14.912 -1.063 -4.772 1.00 0.24 N ATOM 630 CA GLN A 43 14.510 -1.746 -6.037 1.00 0.28 C ATOM 631 C GLN A 43 15.703 -2.583 -6.513 1.00 0.30 C ATOM 632 O GLN A 43 16.789 -2.064 -6.706 1.00 0.30 O ATOM 633 CB GLN A 43 14.151 -0.683 -7.078 1.00 0.32 C ATOM 634 CG GLN A 43 12.884 0.054 -6.638 1.00 0.32 C ATOM 635 CD GLN A 43 12.563 1.162 -7.641 1.00 0.58 C ATOM 636 OE1 GLN A 43 11.985 0.909 -8.680 1.00 1.29 O ATOM 637 NE2 GLN A 43 12.915 2.390 -7.374 1.00 1.31 N ATOM 0 H GLN A 43 15.464 -0.215 -4.901 1.00 0.24 H new ATOM 0 HA GLN A 43 13.645 -2.391 -5.885 1.00 0.28 H new ATOM 0 HB2 GLN A 43 14.974 0.023 -7.192 1.00 0.32 H new ATOM 0 HB3 GLN A 43 13.994 -1.149 -8.051 1.00 0.32 H new ATOM 0 HG2 GLN A 43 12.049 -0.644 -6.572 1.00 0.32 H new ATOM 0 HG3 GLN A 43 13.024 0.478 -5.644 1.00 0.32 H new ATOM 0 HE21 GLN A 43 13.400 2.603 -6.502 1.00 1.31 H new ATOM 0 HE22 GLN A 43 12.705 3.136 -8.037 1.00 1.31 H new ATOM 646 N THR A 44 15.534 -3.882 -6.660 1.00 0.32 N ATOM 647 CA THR A 44 16.698 -4.745 -7.068 1.00 0.34 C ATOM 648 C THR A 44 16.708 -5.020 -8.572 1.00 0.39 C ATOM 649 O THR A 44 16.063 -4.350 -9.353 1.00 0.41 O ATOM 650 CB THR A 44 16.615 -6.080 -6.332 1.00 0.34 C ATOM 651 OG1 THR A 44 15.692 -6.926 -7.001 1.00 0.38 O ATOM 652 CG2 THR A 44 16.147 -5.845 -4.897 1.00 0.29 C ATOM 0 H THR A 44 14.653 -4.376 -6.517 1.00 0.32 H new ATOM 0 HA THR A 44 17.612 -4.210 -6.811 1.00 0.34 H new ATOM 0 HB THR A 44 17.598 -6.551 -6.317 1.00 0.34 H new ATOM 0 HG1 THR A 44 15.837 -7.854 -6.721 1.00 0.38 H new ATOM 0 HG21 THR A 44 16.088 -6.799 -4.373 1.00 0.29 H new ATOM 0 HG22 THR A 44 16.855 -5.193 -4.386 1.00 0.29 H new ATOM 0 HG23 THR A 44 15.163 -5.375 -4.907 1.00 0.29 H new ATOM 660 N LYS A 45 17.464 -6.017 -8.970 1.00 0.43 N ATOM 661 CA LYS A 45 17.573 -6.384 -10.416 1.00 0.48 C ATOM 662 C LYS A 45 16.823 -7.694 -10.677 1.00 0.51 C ATOM 663 O LYS A 45 16.417 -7.968 -11.790 1.00 0.56 O ATOM 664 CB LYS A 45 19.051 -6.586 -10.782 1.00 0.50 C ATOM 665 CG LYS A 45 19.906 -5.460 -10.198 1.00 0.46 C ATOM 666 CD LYS A 45 21.380 -5.741 -10.507 1.00 0.49 C ATOM 667 CE LYS A 45 22.238 -4.540 -10.102 1.00 0.54 C ATOM 668 NZ LYS A 45 23.655 -4.975 -9.952 1.00 1.55 N ATOM 0 H LYS A 45 18.018 -6.600 -8.342 1.00 0.43 H new ATOM 0 HA LYS A 45 17.142 -5.584 -11.018 1.00 0.48 H new ATOM 0 HB2 LYS A 45 19.397 -7.548 -10.403 1.00 0.50 H new ATOM 0 HB3 LYS A 45 19.163 -6.611 -11.866 1.00 0.50 H new ATOM 0 HG2 LYS A 45 19.608 -4.502 -10.624 1.00 0.46 H new ATOM 0 HG3 LYS A 45 19.754 -5.392 -9.121 1.00 0.46 H new ATOM 0 HD2 LYS A 45 21.709 -6.631 -9.971 1.00 0.49 H new ATOM 0 HD3 LYS A 45 21.505 -5.945 -11.570 1.00 0.49 H new ATOM 0 HE2 LYS A 45 22.164 -3.755 -10.855 1.00 0.54 H new ATOM 0 HE3 LYS A 45 21.874 -4.118 -9.165 1.00 0.54 H new ATOM 0 HZ1 LYS A 45 24.198 -4.230 -9.470 1.00 1.55 H new ATOM 0 HZ2 LYS A 45 23.692 -5.849 -9.390 1.00 1.55 H new ATOM 0 HZ3 LYS A 45 24.066 -5.150 -10.891 1.00 1.55 H new ATOM 682 N ARG A 46 16.648 -8.515 -9.664 1.00 0.50 N ATOM 683 CA ARG A 46 15.936 -9.823 -9.855 1.00 0.54 C ATOM 684 C ARG A 46 14.835 -9.935 -8.798 1.00 0.49 C ATOM 685 O ARG A 46 14.717 -10.917 -8.096 1.00 0.48 O ATOM 686 CB ARG A 46 16.947 -10.980 -9.701 1.00 0.59 C ATOM 687 CG ARG A 46 16.446 -12.262 -10.412 1.00 0.72 C ATOM 688 CD ARG A 46 15.426 -13.022 -9.549 1.00 0.92 C ATOM 689 NE ARG A 46 15.438 -14.474 -9.927 1.00 1.48 N ATOM 690 CZ ARG A 46 15.290 -14.858 -11.167 1.00 2.13 C ATOM 691 NH1 ARG A 46 14.926 -14.007 -12.086 1.00 2.62 N ATOM 692 NH2 ARG A 46 15.448 -16.115 -11.477 1.00 2.82 N ATOM 0 H ARG A 46 16.968 -8.335 -8.712 1.00 0.50 H new ATOM 0 HA ARG A 46 15.492 -9.876 -10.849 1.00 0.54 H new ATOM 0 HB2 ARG A 46 17.909 -10.683 -10.117 1.00 0.59 H new ATOM 0 HB3 ARG A 46 17.108 -11.187 -8.643 1.00 0.59 H new ATOM 0 HG2 ARG A 46 15.991 -11.996 -11.366 1.00 0.72 H new ATOM 0 HG3 ARG A 46 17.293 -12.911 -10.633 1.00 0.72 H new ATOM 0 HD2 ARG A 46 15.670 -12.908 -8.493 1.00 0.92 H new ATOM 0 HD3 ARG A 46 14.429 -12.605 -9.693 1.00 0.92 H new ATOM 0 HE ARG A 46 15.565 -15.177 -9.199 1.00 1.48 H new ATOM 0 HH11 ARG A 46 14.754 -13.032 -11.839 1.00 2.62 H new ATOM 0 HH12 ARG A 46 14.813 -14.316 -13.051 1.00 2.62 H new ATOM 0 HH21 ARG A 46 15.686 -16.793 -10.753 1.00 2.82 H new ATOM 0 HH22 ARG A 46 15.334 -16.420 -12.444 1.00 2.82 H new ATOM 706 N SER A 47 14.022 -8.927 -8.689 1.00 0.46 N ATOM 707 CA SER A 47 12.919 -8.952 -7.706 1.00 0.42 C ATOM 708 C SER A 47 11.969 -7.813 -8.053 1.00 0.42 C ATOM 709 O SER A 47 11.458 -7.738 -9.152 1.00 0.46 O ATOM 710 CB SER A 47 13.468 -8.796 -6.280 1.00 0.38 C ATOM 711 OG SER A 47 14.636 -9.594 -6.139 1.00 1.07 O ATOM 0 H SER A 47 14.079 -8.076 -9.249 1.00 0.46 H new ATOM 0 HA SER A 47 12.391 -9.905 -7.745 1.00 0.42 H new ATOM 0 HB2 SER A 47 13.701 -7.750 -6.080 1.00 0.38 H new ATOM 0 HB3 SER A 47 12.715 -9.100 -5.552 1.00 0.38 H new ATOM 0 HG SER A 47 14.519 -10.435 -6.629 1.00 1.07 H new ATOM 717 N LYS A 48 11.744 -6.920 -7.148 1.00 0.38 N ATOM 718 CA LYS A 48 10.842 -5.776 -7.433 1.00 0.40 C ATOM 719 C LYS A 48 11.146 -4.670 -6.434 1.00 0.35 C ATOM 720 O LYS A 48 12.050 -3.878 -6.613 1.00 0.34 O ATOM 721 CB LYS A 48 9.375 -6.209 -7.274 1.00 0.44 C ATOM 722 CG LYS A 48 8.949 -7.113 -8.443 1.00 1.11 C ATOM 723 CD LYS A 48 7.411 -7.166 -8.539 1.00 1.38 C ATOM 724 CE LYS A 48 6.890 -6.001 -9.390 1.00 2.13 C ATOM 725 NZ LYS A 48 7.020 -6.346 -10.834 1.00 2.73 N ATOM 0 H LYS A 48 12.148 -6.929 -6.211 1.00 0.38 H new ATOM 0 HA LYS A 48 10.999 -5.427 -8.454 1.00 0.40 H new ATOM 0 HB2 LYS A 48 9.247 -6.740 -6.331 1.00 0.44 H new ATOM 0 HB3 LYS A 48 8.733 -5.329 -7.234 1.00 0.44 H new ATOM 0 HG2 LYS A 48 9.366 -6.735 -9.376 1.00 1.11 H new ATOM 0 HG3 LYS A 48 9.347 -8.118 -8.300 1.00 1.11 H new ATOM 0 HD2 LYS A 48 7.100 -8.114 -8.978 1.00 1.38 H new ATOM 0 HD3 LYS A 48 6.976 -7.119 -7.541 1.00 1.38 H new ATOM 0 HE2 LYS A 48 5.848 -5.796 -9.146 1.00 2.13 H new ATOM 0 HE3 LYS A 48 7.453 -5.094 -9.169 1.00 2.13 H new ATOM 0 HZ1 LYS A 48 6.667 -5.557 -11.413 1.00 2.73 H new ATOM 0 HZ2 LYS A 48 8.020 -6.521 -11.060 1.00 2.73 H new ATOM 0 HZ3 LYS A 48 6.464 -7.201 -11.038 1.00 2.73 H new ATOM 739 N GLN A 49 10.386 -4.631 -5.373 1.00 0.33 N ATOM 740 CA GLN A 49 10.579 -3.604 -4.310 1.00 0.30 C ATOM 741 C GLN A 49 10.790 -4.337 -2.976 1.00 0.25 C ATOM 742 O GLN A 49 10.133 -5.323 -2.694 1.00 0.26 O ATOM 743 CB GLN A 49 9.304 -2.729 -4.255 1.00 0.35 C ATOM 744 CG GLN A 49 9.570 -1.344 -4.861 1.00 0.82 C ATOM 745 CD GLN A 49 8.338 -0.457 -4.666 1.00 0.89 C ATOM 746 OE1 GLN A 49 7.508 -0.728 -3.821 1.00 1.53 O ATOM 747 NE2 GLN A 49 8.183 0.597 -5.418 1.00 1.52 N ATOM 0 H GLN A 49 9.622 -5.283 -5.195 1.00 0.33 H new ATOM 0 HA GLN A 49 11.442 -2.969 -4.511 1.00 0.30 H new ATOM 0 HB2 GLN A 49 8.496 -3.220 -4.798 1.00 0.35 H new ATOM 0 HB3 GLN A 49 8.975 -2.622 -3.221 1.00 0.35 H new ATOM 0 HG2 GLN A 49 10.439 -0.888 -4.386 1.00 0.82 H new ATOM 0 HG3 GLN A 49 9.800 -1.438 -5.922 1.00 0.82 H new ATOM 0 HE21 GLN A 49 8.880 0.824 -6.127 1.00 1.52 H new ATOM 0 HE22 GLN A 49 7.365 1.194 -5.297 1.00 1.52 H new ATOM 756 N VAL A 50 11.705 -3.871 -2.156 1.00 0.23 N ATOM 757 CA VAL A 50 11.958 -4.545 -0.839 1.00 0.19 C ATOM 758 C VAL A 50 11.957 -3.490 0.261 1.00 0.16 C ATOM 759 O VAL A 50 12.718 -2.549 0.226 1.00 0.15 O ATOM 760 CB VAL A 50 13.327 -5.255 -0.872 1.00 0.22 C ATOM 761 CG1 VAL A 50 13.357 -6.370 0.185 1.00 0.24 C ATOM 762 CG2 VAL A 50 13.571 -5.837 -2.274 1.00 0.31 C ATOM 0 H VAL A 50 12.287 -3.054 -2.341 1.00 0.23 H new ATOM 0 HA VAL A 50 11.179 -5.283 -0.647 1.00 0.19 H new ATOM 0 HB VAL A 50 14.117 -4.538 -0.646 1.00 0.22 H new ATOM 0 HG11 VAL A 50 14.325 -6.870 0.159 1.00 0.24 H new ATOM 0 HG12 VAL A 50 13.197 -5.939 1.173 1.00 0.24 H new ATOM 0 HG13 VAL A 50 12.570 -7.093 -0.027 1.00 0.24 H new ATOM 0 HG21 VAL A 50 14.539 -6.338 -2.296 1.00 0.31 H new ATOM 0 HG22 VAL A 50 12.785 -6.554 -2.512 1.00 0.31 H new ATOM 0 HG23 VAL A 50 13.563 -5.032 -3.009 1.00 0.31 H new ATOM 772 N CYS A 51 11.112 -3.647 1.236 1.00 0.16 N ATOM 773 CA CYS A 51 11.052 -2.651 2.338 1.00 0.15 C ATOM 774 C CYS A 51 12.286 -2.800 3.224 1.00 0.14 C ATOM 775 O CYS A 51 12.855 -3.868 3.338 1.00 0.16 O ATOM 776 CB CYS A 51 9.793 -2.898 3.170 1.00 0.17 C ATOM 777 SG CYS A 51 8.327 -2.517 2.177 1.00 0.21 S ATOM 0 H CYS A 51 10.457 -4.425 1.318 1.00 0.16 H new ATOM 0 HA CYS A 51 11.024 -1.644 1.922 1.00 0.15 H new ATOM 0 HB2 CYS A 51 9.761 -3.936 3.501 1.00 0.17 H new ATOM 0 HB3 CYS A 51 9.809 -2.278 4.066 1.00 0.17 H new ATOM 782 N ALA A 52 12.712 -1.731 3.844 1.00 0.12 N ATOM 783 CA ALA A 52 13.922 -1.798 4.719 1.00 0.13 C ATOM 784 C ALA A 52 13.726 -0.887 5.933 1.00 0.15 C ATOM 785 O ALA A 52 13.270 0.235 5.816 1.00 0.15 O ATOM 786 CB ALA A 52 15.143 -1.329 3.926 1.00 0.11 C ATOM 0 H ALA A 52 12.274 -0.812 3.783 1.00 0.12 H new ATOM 0 HA ALA A 52 14.073 -2.824 5.055 1.00 0.13 H new ATOM 0 HB1 ALA A 52 16.029 -1.376 4.560 1.00 0.11 H new ATOM 0 HB2 ALA A 52 15.283 -1.974 3.059 1.00 0.11 H new ATOM 0 HB3 ALA A 52 14.989 -0.302 3.594 1.00 0.11 H new ATOM 792 N ASP A 53 14.070 -1.364 7.099 1.00 0.18 N ATOM 793 CA ASP A 53 13.909 -0.537 8.329 1.00 0.22 C ATOM 794 C ASP A 53 14.921 0.634 8.295 1.00 0.21 C ATOM 795 O ASP A 53 16.110 0.383 8.300 1.00 0.22 O ATOM 796 CB ASP A 53 14.208 -1.411 9.551 1.00 0.27 C ATOM 797 CG ASP A 53 13.755 -0.685 10.819 1.00 1.35 C ATOM 798 OD1 ASP A 53 13.690 0.533 10.791 1.00 2.10 O ATOM 799 OD2 ASP A 53 13.480 -1.359 11.798 1.00 2.17 O ATOM 0 H ASP A 53 14.457 -2.295 7.253 1.00 0.18 H new ATOM 0 HA ASP A 53 12.893 -0.145 8.381 1.00 0.22 H new ATOM 0 HB2 ASP A 53 13.693 -2.367 9.463 1.00 0.27 H new ATOM 0 HB3 ASP A 53 15.275 -1.628 9.604 1.00 0.27 H new ATOM 804 N PRO A 54 14.463 1.882 8.260 1.00 0.22 N ATOM 805 CA PRO A 54 15.401 3.025 8.228 1.00 0.24 C ATOM 806 C PRO A 54 16.283 3.018 9.486 1.00 0.28 C ATOM 807 O PRO A 54 17.204 3.801 9.615 1.00 0.30 O ATOM 808 CB PRO A 54 14.503 4.283 8.188 1.00 0.27 C ATOM 809 CG PRO A 54 13.022 3.805 8.183 1.00 0.27 C ATOM 810 CD PRO A 54 13.029 2.261 8.248 1.00 0.24 C ATOM 0 HA PRO A 54 16.075 2.987 7.372 1.00 0.24 H new ATOM 0 HB2 PRO A 54 14.697 4.919 9.052 1.00 0.27 H new ATOM 0 HB3 PRO A 54 14.716 4.877 7.300 1.00 0.27 H new ATOM 0 HG2 PRO A 54 12.482 4.222 9.033 1.00 0.27 H new ATOM 0 HG3 PRO A 54 12.512 4.148 7.283 1.00 0.27 H new ATOM 0 HD2 PRO A 54 12.519 1.902 9.142 1.00 0.24 H new ATOM 0 HD3 PRO A 54 12.514 1.828 7.391 1.00 0.24 H new ATOM 818 N SER A 55 15.997 2.153 10.416 1.00 0.31 N ATOM 819 CA SER A 55 16.804 2.110 11.670 1.00 0.36 C ATOM 820 C SER A 55 18.140 1.409 11.410 1.00 0.36 C ATOM 821 O SER A 55 19.079 1.552 12.169 1.00 0.40 O ATOM 822 CB SER A 55 16.030 1.344 12.745 1.00 0.40 C ATOM 823 OG SER A 55 16.899 1.057 13.832 1.00 1.42 O ATOM 0 H SER A 55 15.239 1.472 10.364 1.00 0.31 H new ATOM 0 HA SER A 55 16.995 3.129 12.007 1.00 0.36 H new ATOM 0 HB2 SER A 55 15.181 1.935 13.089 1.00 0.40 H new ATOM 0 HB3 SER A 55 15.628 0.419 12.331 1.00 0.40 H new ATOM 0 HG SER A 55 16.407 0.568 14.524 1.00 1.42 H new ATOM 829 N GLU A 56 18.242 0.657 10.348 1.00 0.33 N ATOM 830 CA GLU A 56 19.529 -0.041 10.056 1.00 0.34 C ATOM 831 C GLU A 56 20.494 0.942 9.383 1.00 0.33 C ATOM 832 O GLU A 56 20.228 1.474 8.321 1.00 0.29 O ATOM 833 CB GLU A 56 19.271 -1.237 9.138 1.00 0.31 C ATOM 834 CG GLU A 56 18.744 -2.418 9.959 1.00 0.35 C ATOM 835 CD GLU A 56 18.265 -3.524 9.016 1.00 1.30 C ATOM 836 OE1 GLU A 56 17.937 -3.209 7.885 1.00 2.08 O ATOM 837 OE2 GLU A 56 18.234 -4.666 9.443 1.00 2.01 O ATOM 0 H GLU A 56 17.495 0.496 9.673 1.00 0.33 H new ATOM 0 HA GLU A 56 19.971 -0.401 10.985 1.00 0.34 H new ATOM 0 HB2 GLU A 56 18.549 -0.967 8.368 1.00 0.31 H new ATOM 0 HB3 GLU A 56 20.191 -1.520 8.627 1.00 0.31 H new ATOM 0 HG2 GLU A 56 19.528 -2.798 10.613 1.00 0.35 H new ATOM 0 HG3 GLU A 56 17.925 -2.092 10.600 1.00 0.35 H new ATOM 844 N SER A 57 21.604 1.192 10.013 1.00 0.37 N ATOM 845 CA SER A 57 22.603 2.146 9.459 1.00 0.38 C ATOM 846 C SER A 57 22.921 1.839 7.993 1.00 0.35 C ATOM 847 O SER A 57 23.105 2.739 7.198 1.00 0.34 O ATOM 848 CB SER A 57 23.889 2.057 10.280 1.00 0.44 C ATOM 849 OG SER A 57 23.601 2.362 11.639 1.00 1.37 O ATOM 0 H SER A 57 21.867 0.769 10.903 1.00 0.37 H new ATOM 0 HA SER A 57 22.181 3.150 9.513 1.00 0.38 H new ATOM 0 HB2 SER A 57 24.315 1.057 10.202 1.00 0.44 H new ATOM 0 HB3 SER A 57 24.632 2.752 9.889 1.00 0.44 H new ATOM 0 HG SER A 57 24.424 2.304 12.169 1.00 1.37 H new ATOM 855 N TRP A 58 23.014 0.592 7.620 1.00 0.34 N ATOM 856 CA TRP A 58 23.350 0.288 6.201 1.00 0.32 C ATOM 857 C TRP A 58 22.268 0.850 5.285 1.00 0.27 C ATOM 858 O TRP A 58 22.537 1.264 4.179 1.00 0.27 O ATOM 859 CB TRP A 58 23.535 -1.222 5.990 1.00 0.34 C ATOM 860 CG TRP A 58 22.224 -1.943 5.917 1.00 0.31 C ATOM 861 CD1 TRP A 58 21.720 -2.727 6.900 1.00 0.32 C ATOM 862 CD2 TRP A 58 21.262 -1.997 4.820 1.00 0.27 C ATOM 863 NE1 TRP A 58 20.515 -3.259 6.478 1.00 0.29 N ATOM 864 CE2 TRP A 58 20.184 -2.836 5.210 1.00 0.26 C ATOM 865 CE3 TRP A 58 21.216 -1.406 3.535 1.00 0.27 C ATOM 866 CZ2 TRP A 58 19.098 -3.080 4.357 1.00 0.25 C ATOM 867 CZ3 TRP A 58 20.124 -1.649 2.674 1.00 0.27 C ATOM 868 CH2 TRP A 58 19.066 -2.485 3.087 1.00 0.26 C ATOM 0 H TRP A 58 22.874 -0.217 8.225 1.00 0.34 H new ATOM 0 HA TRP A 58 24.298 0.766 5.951 1.00 0.32 H new ATOM 0 HB2 TRP A 58 24.095 -1.394 5.071 1.00 0.34 H new ATOM 0 HB3 TRP A 58 24.129 -1.632 6.807 1.00 0.34 H new ATOM 0 HD1 TRP A 58 22.184 -2.908 7.858 1.00 0.32 H new ATOM 0 HE1 TRP A 58 19.941 -3.889 7.038 1.00 0.29 H new ATOM 0 HE3 TRP A 58 22.022 -0.764 3.211 1.00 0.27 H new ATOM 0 HZ2 TRP A 58 18.291 -3.722 4.676 1.00 0.25 H new ATOM 0 HZ3 TRP A 58 20.099 -1.193 1.695 1.00 0.27 H new ATOM 0 HH2 TRP A 58 18.232 -2.667 2.426 1.00 0.26 H new ATOM 879 N VAL A 59 21.053 0.901 5.740 1.00 0.24 N ATOM 880 CA VAL A 59 19.982 1.463 4.880 1.00 0.20 C ATOM 881 C VAL A 59 20.295 2.932 4.631 1.00 0.22 C ATOM 882 O VAL A 59 20.223 3.414 3.520 1.00 0.21 O ATOM 883 CB VAL A 59 18.637 1.324 5.589 1.00 0.19 C ATOM 884 CG1 VAL A 59 17.532 1.956 4.740 1.00 0.18 C ATOM 885 CG2 VAL A 59 18.350 -0.161 5.793 1.00 0.19 C ATOM 0 H VAL A 59 20.756 0.581 6.662 1.00 0.24 H new ATOM 0 HA VAL A 59 19.932 0.929 3.931 1.00 0.20 H new ATOM 0 HB VAL A 59 18.669 1.834 6.552 1.00 0.19 H new ATOM 0 HG11 VAL A 59 16.575 1.853 5.252 1.00 0.18 H new ATOM 0 HG12 VAL A 59 17.750 3.013 4.588 1.00 0.18 H new ATOM 0 HG13 VAL A 59 17.482 1.453 3.774 1.00 0.18 H new ATOM 0 HG21 VAL A 59 17.392 -0.280 6.299 1.00 0.19 H new ATOM 0 HG22 VAL A 59 18.314 -0.661 4.825 1.00 0.19 H new ATOM 0 HG23 VAL A 59 19.139 -0.604 6.401 1.00 0.19 H new ATOM 895 N GLN A 60 20.666 3.642 5.654 1.00 0.25 N ATOM 896 CA GLN A 60 21.012 5.077 5.462 1.00 0.28 C ATOM 897 C GLN A 60 22.261 5.172 4.579 1.00 0.30 C ATOM 898 O GLN A 60 22.400 6.071 3.774 1.00 0.31 O ATOM 899 CB GLN A 60 21.291 5.726 6.819 1.00 0.33 C ATOM 900 CG GLN A 60 21.430 7.240 6.642 1.00 1.25 C ATOM 901 CD GLN A 60 21.748 7.884 7.992 1.00 1.65 C ATOM 902 OE1 GLN A 60 20.855 8.206 8.751 1.00 2.33 O ATOM 903 NE2 GLN A 60 22.993 8.087 8.327 1.00 2.14 N ATOM 0 H GLN A 60 20.745 3.296 6.610 1.00 0.25 H new ATOM 0 HA GLN A 60 20.181 5.596 4.984 1.00 0.28 H new ATOM 0 HB2 GLN A 60 20.481 5.503 7.514 1.00 0.33 H new ATOM 0 HB3 GLN A 60 22.203 5.314 7.250 1.00 0.33 H new ATOM 0 HG2 GLN A 60 22.221 7.462 5.926 1.00 1.25 H new ATOM 0 HG3 GLN A 60 20.507 7.656 6.237 1.00 1.25 H new ATOM 0 HE21 GLN A 60 23.743 7.817 7.691 1.00 2.14 H new ATOM 0 HE22 GLN A 60 23.216 8.516 9.225 1.00 2.14 H new ATOM 912 N GLU A 61 23.171 4.246 4.729 1.00 0.31 N ATOM 913 CA GLU A 61 24.416 4.269 3.907 1.00 0.33 C ATOM 914 C GLU A 61 24.077 4.034 2.433 1.00 0.31 C ATOM 915 O GLU A 61 24.465 4.794 1.567 1.00 0.32 O ATOM 916 CB GLU A 61 25.365 3.171 4.392 1.00 0.35 C ATOM 917 CG GLU A 61 26.732 3.349 3.729 1.00 0.40 C ATOM 918 CD GLU A 61 27.691 2.270 4.238 1.00 1.29 C ATOM 919 OE1 GLU A 61 27.629 1.957 5.415 1.00 2.03 O ATOM 920 OE2 GLU A 61 28.471 1.777 3.440 1.00 1.99 O ATOM 0 H GLU A 61 23.105 3.471 5.389 1.00 0.31 H new ATOM 0 HA GLU A 61 24.895 5.243 4.011 1.00 0.33 H new ATOM 0 HB2 GLU A 61 25.466 3.216 5.476 1.00 0.35 H new ATOM 0 HB3 GLU A 61 24.957 2.190 4.150 1.00 0.35 H new ATOM 0 HG2 GLU A 61 26.634 3.282 2.646 1.00 0.40 H new ATOM 0 HG3 GLU A 61 27.130 4.339 3.952 1.00 0.40 H new ATOM 927 N TYR A 62 23.361 2.984 2.139 1.00 0.28 N ATOM 928 CA TYR A 62 23.002 2.696 0.720 1.00 0.28 C ATOM 929 C TYR A 62 22.171 3.852 0.154 1.00 0.28 C ATOM 930 O TYR A 62 22.298 4.208 -1.001 1.00 0.30 O ATOM 931 CB TYR A 62 22.189 1.392 0.644 1.00 0.25 C ATOM 932 CG TYR A 62 23.113 0.187 0.664 1.00 0.27 C ATOM 933 CD1 TYR A 62 24.024 0.002 1.725 1.00 0.29 C ATOM 934 CD2 TYR A 62 23.053 -0.761 -0.381 1.00 0.27 C ATOM 935 CE1 TYR A 62 24.871 -1.124 1.740 1.00 0.32 C ATOM 936 CE2 TYR A 62 23.902 -1.884 -0.364 1.00 0.29 C ATOM 937 CZ TYR A 62 24.810 -2.065 0.694 1.00 0.31 C ATOM 938 OH TYR A 62 25.641 -3.167 0.708 1.00 0.34 O ATOM 0 H TYR A 62 23.008 2.312 2.820 1.00 0.28 H new ATOM 0 HA TYR A 62 23.915 2.586 0.135 1.00 0.28 H new ATOM 0 HB2 TYR A 62 21.495 1.340 1.483 1.00 0.25 H new ATOM 0 HB3 TYR A 62 21.589 1.383 -0.266 1.00 0.25 H new ATOM 0 HD1 TYR A 62 24.072 0.724 2.527 1.00 0.29 H new ATOM 0 HD2 TYR A 62 22.355 -0.624 -1.194 1.00 0.27 H new ATOM 0 HE1 TYR A 62 25.567 -1.265 2.554 1.00 0.32 H new ATOM 0 HE2 TYR A 62 23.856 -2.607 -1.165 1.00 0.29 H new ATOM 0 HH TYR A 62 25.470 -3.716 -0.086 1.00 0.34 H new ATOM 948 N VAL A 63 21.330 4.450 0.954 1.00 0.27 N ATOM 949 CA VAL A 63 20.514 5.583 0.448 1.00 0.28 C ATOM 950 C VAL A 63 21.455 6.729 0.110 1.00 0.32 C ATOM 951 O VAL A 63 21.295 7.416 -0.878 1.00 0.34 O ATOM 952 CB VAL A 63 19.521 6.021 1.528 1.00 0.28 C ATOM 953 CG1 VAL A 63 18.871 7.351 1.132 1.00 0.32 C ATOM 954 CG2 VAL A 63 18.435 4.952 1.683 1.00 0.25 C ATOM 0 H VAL A 63 21.175 4.202 1.931 1.00 0.27 H new ATOM 0 HA VAL A 63 19.955 5.285 -0.439 1.00 0.28 H new ATOM 0 HB VAL A 63 20.051 6.148 2.472 1.00 0.28 H new ATOM 0 HG11 VAL A 63 18.166 7.656 1.905 1.00 0.32 H new ATOM 0 HG12 VAL A 63 19.642 8.114 1.022 1.00 0.32 H new ATOM 0 HG13 VAL A 63 18.343 7.230 0.186 1.00 0.32 H new ATOM 0 HG21 VAL A 63 17.727 5.262 2.452 1.00 0.25 H new ATOM 0 HG22 VAL A 63 17.911 4.826 0.736 1.00 0.25 H new ATOM 0 HG23 VAL A 63 18.894 4.007 1.972 1.00 0.25 H new ATOM 964 N TYR A 64 22.443 6.933 0.931 1.00 0.34 N ATOM 965 CA TYR A 64 23.407 8.029 0.673 1.00 0.38 C ATOM 966 C TYR A 64 24.133 7.755 -0.642 1.00 0.38 C ATOM 967 O TYR A 64 24.339 8.637 -1.450 1.00 0.41 O ATOM 968 CB TYR A 64 24.422 8.083 1.819 1.00 0.41 C ATOM 969 CG TYR A 64 25.116 9.427 1.826 1.00 0.46 C ATOM 970 CD1 TYR A 64 24.433 10.569 2.287 1.00 0.48 C ATOM 971 CD2 TYR A 64 26.446 9.538 1.374 1.00 0.49 C ATOM 972 CE1 TYR A 64 25.079 11.820 2.293 1.00 0.52 C ATOM 973 CE2 TYR A 64 27.091 10.788 1.381 1.00 0.54 C ATOM 974 CZ TYR A 64 26.408 11.930 1.841 1.00 0.55 C ATOM 975 OH TYR A 64 27.040 13.157 1.849 1.00 0.60 O ATOM 0 H TYR A 64 22.624 6.385 1.772 1.00 0.34 H new ATOM 0 HA TYR A 64 22.881 8.982 0.607 1.00 0.38 H new ATOM 0 HB2 TYR A 64 23.918 7.919 2.771 1.00 0.41 H new ATOM 0 HB3 TYR A 64 25.156 7.285 1.705 1.00 0.41 H new ATOM 0 HD1 TYR A 64 23.414 10.485 2.636 1.00 0.48 H new ATOM 0 HD2 TYR A 64 26.971 8.662 1.022 1.00 0.49 H new ATOM 0 HE1 TYR A 64 24.555 12.696 2.645 1.00 0.52 H new ATOM 0 HE2 TYR A 64 28.110 10.872 1.034 1.00 0.54 H new ATOM 0 HH TYR A 64 27.953 13.057 1.506 1.00 0.60 H new ATOM 985 N ASP A 65 24.522 6.532 -0.851 1.00 0.36 N ATOM 986 CA ASP A 65 25.243 6.176 -2.105 1.00 0.37 C ATOM 987 C ASP A 65 24.342 6.443 -3.314 1.00 0.37 C ATOM 988 O ASP A 65 24.799 6.847 -4.364 1.00 0.40 O ATOM 989 CB ASP A 65 25.616 4.690 -2.061 1.00 0.35 C ATOM 990 CG ASP A 65 26.844 4.492 -1.168 1.00 0.39 C ATOM 991 OD1 ASP A 65 26.856 5.044 -0.080 1.00 1.11 O ATOM 992 OD2 ASP A 65 27.751 3.792 -1.589 1.00 1.15 O ATOM 0 H ASP A 65 24.372 5.757 -0.205 1.00 0.36 H new ATOM 0 HA ASP A 65 26.145 6.781 -2.193 1.00 0.37 H new ATOM 0 HB2 ASP A 65 24.779 4.106 -1.679 1.00 0.35 H new ATOM 0 HB3 ASP A 65 25.824 4.328 -3.068 1.00 0.35 H new ATOM 997 N LEU A 66 23.068 6.219 -3.172 1.00 0.33 N ATOM 998 CA LEU A 66 22.134 6.457 -4.308 1.00 0.34 C ATOM 999 C LEU A 66 21.981 7.964 -4.535 1.00 0.39 C ATOM 1000 O LEU A 66 21.766 8.416 -5.642 1.00 0.42 O ATOM 1001 CB LEU A 66 20.773 5.836 -3.967 1.00 0.31 C ATOM 1002 CG LEU A 66 20.796 4.316 -4.239 1.00 0.28 C ATOM 1003 CD1 LEU A 66 19.698 3.629 -3.423 1.00 0.24 C ATOM 1004 CD2 LEU A 66 20.542 4.033 -5.729 1.00 0.30 C ATOM 0 H LEU A 66 22.630 5.880 -2.315 1.00 0.33 H new ATOM 0 HA LEU A 66 22.525 6.001 -5.217 1.00 0.34 H new ATOM 0 HB2 LEU A 66 20.533 6.022 -2.920 1.00 0.31 H new ATOM 0 HB3 LEU A 66 19.991 6.307 -4.562 1.00 0.31 H new ATOM 0 HG LEU A 66 21.776 3.932 -3.955 1.00 0.28 H new ATOM 0 HD11 LEU A 66 19.717 2.557 -3.617 1.00 0.24 H new ATOM 0 HD12 LEU A 66 19.868 3.808 -2.361 1.00 0.24 H new ATOM 0 HD13 LEU A 66 18.726 4.032 -3.708 1.00 0.24 H new ATOM 0 HD21 LEU A 66 20.562 2.957 -5.904 1.00 0.30 H new ATOM 0 HD22 LEU A 66 19.567 4.429 -6.014 1.00 0.30 H new ATOM 0 HD23 LEU A 66 21.317 4.512 -6.328 1.00 0.30 H new ATOM 1016 N GLU A 67 22.099 8.741 -3.498 1.00 0.40 N ATOM 1017 CA GLU A 67 21.970 10.219 -3.653 1.00 0.45 C ATOM 1018 C GLU A 67 23.220 10.760 -4.342 1.00 0.50 C ATOM 1019 O GLU A 67 23.189 11.774 -5.010 1.00 0.55 O ATOM 1020 CB GLU A 67 21.835 10.866 -2.276 1.00 0.46 C ATOM 1021 CG GLU A 67 20.467 10.526 -1.696 1.00 0.44 C ATOM 1022 CD GLU A 67 20.292 11.227 -0.348 1.00 1.13 C ATOM 1023 OE1 GLU A 67 21.291 11.643 0.216 1.00 1.88 O ATOM 1024 OE2 GLU A 67 19.162 11.335 0.101 1.00 1.81 O ATOM 0 H GLU A 67 22.279 8.419 -2.547 1.00 0.40 H new ATOM 0 HA GLU A 67 21.088 10.449 -4.251 1.00 0.45 H new ATOM 0 HB2 GLU A 67 22.623 10.508 -1.614 1.00 0.46 H new ATOM 0 HB3 GLU A 67 21.951 11.947 -2.356 1.00 0.46 H new ATOM 0 HG2 GLU A 67 19.681 10.838 -2.384 1.00 0.44 H new ATOM 0 HG3 GLU A 67 20.372 9.447 -1.571 1.00 0.44 H new ATOM 1116 N SER B 5 10.560 -10.283 -3.723 1.00 0.44 N ATOM 1117 CA SER B 5 11.349 -9.965 -2.505 1.00 0.30 C ATOM 1118 C SER B 5 10.390 -9.609 -1.355 1.00 0.27 C ATOM 1119 O SER B 5 9.845 -10.478 -0.704 1.00 0.30 O ATOM 1120 CB SER B 5 12.262 -8.784 -2.817 1.00 0.49 C ATOM 1121 OG SER B 5 11.583 -7.905 -3.702 1.00 1.52 O ATOM 0 HA SER B 5 11.951 -10.823 -2.205 1.00 0.30 H new ATOM 0 HB2 SER B 5 12.532 -8.262 -1.899 1.00 0.49 H new ATOM 0 HB3 SER B 5 13.190 -9.133 -3.269 1.00 0.49 H new ATOM 0 HG SER B 5 11.024 -8.426 -4.315 1.00 1.52 H new ATOM 1127 N ASP B 6 10.175 -8.340 -1.102 1.00 0.24 N ATOM 1128 CA ASP B 6 9.246 -7.943 0.004 1.00 0.23 C ATOM 1129 C ASP B 6 8.734 -6.515 -0.239 1.00 0.21 C ATOM 1130 O ASP B 6 9.093 -5.609 0.487 1.00 0.20 O ATOM 1131 CB ASP B 6 9.987 -7.982 1.347 1.00 0.25 C ATOM 1132 CG ASP B 6 10.795 -9.276 1.458 1.00 1.26 C ATOM 1133 OD1 ASP B 6 11.937 -9.276 1.030 1.00 2.00 O ATOM 1134 OD2 ASP B 6 10.258 -10.245 1.968 1.00 2.03 O ATOM 0 H ASP B 6 10.600 -7.565 -1.611 1.00 0.24 H new ATOM 0 HA ASP B 6 8.407 -8.639 0.027 1.00 0.23 H new ATOM 0 HB2 ASP B 6 10.650 -7.121 1.432 1.00 0.25 H new ATOM 0 HB3 ASP B 6 9.273 -7.917 2.168 1.00 0.25 H new ATOM 1139 N PRO B 7 7.914 -6.341 -1.256 1.00 0.22 N ATOM 1140 CA PRO B 7 7.368 -5.009 -1.584 1.00 0.22 C ATOM 1141 C PRO B 7 6.436 -4.526 -0.450 1.00 0.20 C ATOM 1142 O PRO B 7 6.056 -5.309 0.399 1.00 0.20 O ATOM 1143 CB PRO B 7 6.585 -5.218 -2.905 1.00 0.25 C ATOM 1144 CG PRO B 7 6.644 -6.737 -3.249 1.00 0.27 C ATOM 1145 CD PRO B 7 7.476 -7.434 -2.150 1.00 0.26 C ATOM 0 HA PRO B 7 8.142 -4.250 -1.693 1.00 0.22 H new ATOM 0 HB2 PRO B 7 5.552 -4.890 -2.794 1.00 0.25 H new ATOM 0 HB3 PRO B 7 7.023 -4.626 -3.708 1.00 0.25 H new ATOM 0 HG2 PRO B 7 5.640 -7.158 -3.294 1.00 0.27 H new ATOM 0 HG3 PRO B 7 7.098 -6.890 -4.228 1.00 0.27 H new ATOM 0 HD2 PRO B 7 6.881 -8.171 -1.611 1.00 0.26 H new ATOM 0 HD3 PRO B 7 8.329 -7.963 -2.575 1.00 0.26 H new ATOM 1153 N PRO B 8 6.085 -3.253 -0.470 1.00 0.21 N ATOM 1154 CA PRO B 8 5.189 -2.678 0.555 1.00 0.22 C ATOM 1155 C PRO B 8 3.824 -3.384 0.516 1.00 0.22 C ATOM 1156 O PRO B 8 3.701 -4.494 0.037 1.00 0.22 O ATOM 1157 CB PRO B 8 5.059 -1.182 0.172 1.00 0.24 C ATOM 1158 CG PRO B 8 5.787 -0.986 -1.188 1.00 0.26 C ATOM 1159 CD PRO B 8 6.546 -2.295 -1.498 1.00 0.24 C ATOM 0 HA PRO B 8 5.572 -2.801 1.568 1.00 0.22 H new ATOM 0 HB2 PRO B 8 4.010 -0.896 0.091 1.00 0.24 H new ATOM 0 HB3 PRO B 8 5.503 -0.549 0.940 1.00 0.24 H new ATOM 0 HG2 PRO B 8 5.070 -0.761 -1.978 1.00 0.26 H new ATOM 0 HG3 PRO B 8 6.478 -0.145 -1.136 1.00 0.26 H new ATOM 0 HD2 PRO B 8 6.321 -2.654 -2.502 1.00 0.24 H new ATOM 0 HD3 PRO B 8 7.625 -2.148 -1.446 1.00 0.24 H new ATOM 1167 N THR B 9 2.798 -2.744 1.017 1.00 0.23 N ATOM 1168 CA THR B 9 1.444 -3.372 1.010 1.00 0.24 C ATOM 1169 C THR B 9 0.373 -2.281 1.027 1.00 0.24 C ATOM 1170 O THR B 9 0.379 -1.401 1.865 1.00 0.25 O ATOM 1171 CB THR B 9 1.288 -4.257 2.247 1.00 0.25 C ATOM 1172 OG1 THR B 9 2.460 -5.044 2.412 1.00 0.26 O ATOM 1173 CG2 THR B 9 0.075 -5.174 2.079 1.00 0.29 C ATOM 0 H THR B 9 2.841 -1.813 1.431 1.00 0.23 H new ATOM 0 HA THR B 9 1.330 -3.978 0.111 1.00 0.24 H new ATOM 0 HB THR B 9 1.142 -3.629 3.125 1.00 0.25 H new ATOM 0 HG1 THR B 9 2.455 -5.456 3.301 1.00 0.26 H new ATOM 0 HG21 THR B 9 -0.031 -5.802 2.963 1.00 0.29 H new ATOM 0 HG22 THR B 9 -0.823 -4.570 1.953 1.00 0.29 H new ATOM 0 HG23 THR B 9 0.214 -5.804 1.201 1.00 0.29 H new ATOM 1181 N ALA B 10 -0.544 -2.337 0.106 1.00 0.23 N ATOM 1182 CA ALA B 10 -1.621 -1.311 0.057 1.00 0.23 C ATOM 1183 C ALA B 10 -2.553 -1.479 1.257 1.00 0.22 C ATOM 1184 O ALA B 10 -3.603 -2.082 1.156 1.00 0.27 O ATOM 1185 CB ALA B 10 -2.422 -1.488 -1.231 1.00 0.23 C ATOM 0 H ALA B 10 -0.595 -3.052 -0.619 1.00 0.23 H new ATOM 0 HA ALA B 10 -1.175 -0.317 0.085 1.00 0.23 H new ATOM 0 HB1 ALA B 10 -3.213 -0.739 -1.273 1.00 0.23 H new ATOM 0 HB2 ALA B 10 -1.762 -1.367 -2.090 1.00 0.23 H new ATOM 0 HB3 ALA B 10 -2.864 -2.484 -1.251 1.00 0.23 H new ATOM 1191 N CYS B 11 -2.179 -0.940 2.390 1.00 0.25 N ATOM 1192 CA CYS B 11 -3.039 -1.048 3.611 1.00 0.25 C ATOM 1193 C CYS B 11 -3.638 0.327 3.908 1.00 0.25 C ATOM 1194 O CYS B 11 -2.964 1.335 3.835 1.00 0.26 O ATOM 1195 CB CYS B 11 -2.183 -1.504 4.795 1.00 0.25 C ATOM 1196 SG CYS B 11 -1.265 -2.997 4.337 1.00 0.34 S ATOM 0 H CYS B 11 -1.308 -0.426 2.524 1.00 0.25 H new ATOM 0 HA CYS B 11 -3.837 -1.772 3.447 1.00 0.25 H new ATOM 0 HB2 CYS B 11 -1.491 -0.713 5.083 1.00 0.25 H new ATOM 0 HB3 CYS B 11 -2.816 -1.704 5.659 1.00 0.25 H new ATOM 1201 N CYS B 12 -4.902 0.381 4.230 1.00 0.24 N ATOM 1202 CA CYS B 12 -5.537 1.697 4.518 1.00 0.24 C ATOM 1203 C CYS B 12 -5.023 2.236 5.853 1.00 0.24 C ATOM 1204 O CYS B 12 -4.819 1.497 6.796 1.00 0.27 O ATOM 1205 CB CYS B 12 -7.058 1.532 4.588 1.00 0.24 C ATOM 1206 SG CYS B 12 -7.679 0.949 2.991 1.00 0.24 S ATOM 0 H CYS B 12 -5.520 -0.427 4.306 1.00 0.24 H new ATOM 0 HA CYS B 12 -5.284 2.398 3.722 1.00 0.24 H new ATOM 0 HB2 CYS B 12 -7.321 0.823 5.373 1.00 0.24 H new ATOM 0 HB3 CYS B 12 -7.526 2.482 4.847 1.00 0.24 H new ATOM 1211 N PHE B 13 -4.822 3.526 5.940 1.00 0.25 N ATOM 1212 CA PHE B 13 -4.332 4.138 7.212 1.00 0.27 C ATOM 1213 C PHE B 13 -5.521 4.783 7.927 1.00 0.24 C ATOM 1214 O PHE B 13 -5.482 5.058 9.110 1.00 0.26 O ATOM 1215 CB PHE B 13 -3.291 5.214 6.886 1.00 0.30 C ATOM 1216 CG PHE B 13 -3.955 6.334 6.122 1.00 0.31 C ATOM 1217 CD1 PHE B 13 -4.226 6.184 4.750 1.00 0.31 C ATOM 1218 CD2 PHE B 13 -4.310 7.525 6.786 1.00 0.35 C ATOM 1219 CE1 PHE B 13 -4.851 7.224 4.039 1.00 0.34 C ATOM 1220 CE2 PHE B 13 -4.937 8.565 6.075 1.00 0.37 C ATOM 1221 CZ PHE B 13 -5.208 8.416 4.701 1.00 0.37 C ATOM 0 H PHE B 13 -4.978 4.187 5.178 1.00 0.25 H new ATOM 0 HA PHE B 13 -3.879 3.377 7.848 1.00 0.27 H new ATOM 0 HB2 PHE B 13 -2.848 5.598 7.805 1.00 0.30 H new ATOM 0 HB3 PHE B 13 -2.481 4.786 6.296 1.00 0.30 H new ATOM 0 HD1 PHE B 13 -3.954 5.270 4.243 1.00 0.31 H new ATOM 0 HD2 PHE B 13 -4.101 7.640 7.839 1.00 0.35 H new ATOM 0 HE1 PHE B 13 -5.058 7.109 2.985 1.00 0.34 H new ATOM 0 HE2 PHE B 13 -5.211 9.478 6.583 1.00 0.37 H new ATOM 0 HZ PHE B 13 -5.689 9.214 4.155 1.00 0.37 H new ATOM 1231 N SER B 14 -6.579 5.021 7.201 1.00 0.21 N ATOM 1232 CA SER B 14 -7.789 5.643 7.803 1.00 0.20 C ATOM 1233 C SER B 14 -9.003 5.273 6.950 1.00 0.18 C ATOM 1234 O SER B 14 -9.005 4.269 6.266 1.00 0.17 O ATOM 1235 CB SER B 14 -7.624 7.163 7.830 1.00 0.20 C ATOM 1236 OG SER B 14 -7.592 7.656 6.496 1.00 0.25 O ATOM 0 H SER B 14 -6.656 4.808 6.206 1.00 0.21 H new ATOM 0 HA SER B 14 -7.926 5.283 8.822 1.00 0.20 H new ATOM 0 HB2 SER B 14 -8.447 7.620 8.379 1.00 0.20 H new ATOM 0 HB3 SER B 14 -6.705 7.431 8.351 1.00 0.20 H new ATOM 0 HG SER B 14 -6.668 7.657 6.170 1.00 0.25 H new ATOM 1242 N TYR B 15 -10.038 6.069 6.982 1.00 0.19 N ATOM 1243 CA TYR B 15 -11.249 5.747 6.167 1.00 0.20 C ATOM 1244 C TYR B 15 -12.012 7.037 5.859 1.00 0.24 C ATOM 1245 O TYR B 15 -11.887 8.023 6.556 1.00 0.29 O ATOM 1246 CB TYR B 15 -12.159 4.795 6.957 1.00 0.22 C ATOM 1247 CG TYR B 15 -11.321 3.775 7.689 1.00 0.21 C ATOM 1248 CD1 TYR B 15 -10.887 2.611 7.026 1.00 0.21 C ATOM 1249 CD2 TYR B 15 -10.973 3.990 9.037 1.00 0.25 C ATOM 1250 CE1 TYR B 15 -10.105 1.662 7.712 1.00 0.23 C ATOM 1251 CE2 TYR B 15 -10.191 3.040 9.722 1.00 0.28 C ATOM 1252 CZ TYR B 15 -9.758 1.877 9.059 1.00 0.27 C ATOM 1253 OH TYR B 15 -8.991 0.946 9.731 1.00 0.32 O ATOM 0 H TYR B 15 -10.099 6.925 7.534 1.00 0.19 H new ATOM 0 HA TYR B 15 -10.944 5.271 5.235 1.00 0.20 H new ATOM 0 HB2 TYR B 15 -12.763 5.360 7.667 1.00 0.22 H new ATOM 0 HB3 TYR B 15 -12.850 4.293 6.280 1.00 0.22 H new ATOM 0 HD1 TYR B 15 -11.154 2.446 5.992 1.00 0.21 H new ATOM 0 HD2 TYR B 15 -11.306 4.883 9.545 1.00 0.25 H new ATOM 0 HE1 TYR B 15 -9.771 0.769 7.204 1.00 0.23 H new ATOM 0 HE2 TYR B 15 -9.924 3.204 10.755 1.00 0.28 H new ATOM 0 HH TYR B 15 -8.841 1.248 10.651 1.00 0.32 H new ATOM 1263 N THR B 16 -12.815 7.033 4.828 1.00 0.22 N ATOM 1264 CA THR B 16 -13.593 8.259 4.499 1.00 0.28 C ATOM 1265 C THR B 16 -14.472 8.611 5.705 1.00 0.32 C ATOM 1266 O THR B 16 -14.225 8.158 6.806 1.00 0.38 O ATOM 1267 CB THR B 16 -14.449 8.013 3.248 1.00 0.28 C ATOM 1268 OG1 THR B 16 -15.330 9.108 3.046 1.00 0.39 O ATOM 1269 CG2 THR B 16 -15.262 6.728 3.409 1.00 0.27 C ATOM 0 H THR B 16 -12.964 6.239 4.205 1.00 0.22 H new ATOM 0 HA THR B 16 -12.922 9.091 4.286 1.00 0.28 H new ATOM 0 HB THR B 16 -13.790 7.912 2.386 1.00 0.28 H new ATOM 0 HG1 THR B 16 -14.814 9.940 3.007 1.00 0.39 H new ATOM 0 HG21 THR B 16 -15.865 6.564 2.516 1.00 0.27 H new ATOM 0 HG22 THR B 16 -14.586 5.885 3.550 1.00 0.27 H new ATOM 0 HG23 THR B 16 -15.916 6.817 4.277 1.00 0.27 H new ATOM 1277 N ALA B 17 -15.486 9.414 5.524 1.00 0.36 N ATOM 1278 CA ALA B 17 -16.362 9.788 6.678 1.00 0.42 C ATOM 1279 C ALA B 17 -17.809 9.901 6.205 1.00 0.45 C ATOM 1280 O ALA B 17 -18.661 10.412 6.904 1.00 0.63 O ATOM 1281 CB ALA B 17 -15.908 11.138 7.233 1.00 0.50 C ATOM 0 H ALA B 17 -15.747 9.828 4.629 1.00 0.36 H new ATOM 0 HA ALA B 17 -16.291 9.025 7.453 1.00 0.42 H new ATOM 0 HB1 ALA B 17 -16.542 11.417 8.075 1.00 0.50 H new ATOM 0 HB2 ALA B 17 -14.873 11.065 7.567 1.00 0.50 H new ATOM 0 HB3 ALA B 17 -15.985 11.896 6.454 1.00 0.50 H new ATOM 1287 N ARG B 18 -18.094 9.426 5.021 1.00 0.47 N ATOM 1288 CA ARG B 18 -19.488 9.504 4.492 1.00 0.48 C ATOM 1289 C ARG B 18 -19.809 8.230 3.706 1.00 0.41 C ATOM 1290 O ARG B 18 -19.054 7.807 2.854 1.00 0.37 O ATOM 1291 CB ARG B 18 -19.605 10.719 3.565 1.00 0.53 C ATOM 1292 CG ARG B 18 -19.763 11.992 4.400 1.00 0.70 C ATOM 1293 CD ARG B 18 -19.503 13.215 3.523 1.00 1.15 C ATOM 1294 NE ARG B 18 -20.024 14.434 4.204 1.00 1.96 N ATOM 1295 CZ ARG B 18 -19.660 15.617 3.793 1.00 2.64 C ATOM 1296 NH1 ARG B 18 -18.840 15.732 2.783 1.00 2.84 N ATOM 1297 NH2 ARG B 18 -20.115 16.684 4.389 1.00 3.63 N ATOM 0 H ARG B 18 -17.419 8.986 4.395 1.00 0.47 H new ATOM 0 HA ARG B 18 -20.190 9.603 5.320 1.00 0.48 H new ATOM 0 HB2 ARG B 18 -18.719 10.794 2.934 1.00 0.53 H new ATOM 0 HB3 ARG B 18 -20.461 10.600 2.900 1.00 0.53 H new ATOM 0 HG2 ARG B 18 -20.767 12.041 4.821 1.00 0.70 H new ATOM 0 HG3 ARG B 18 -19.066 11.978 5.238 1.00 0.70 H new ATOM 0 HD2 ARG B 18 -18.435 13.320 3.334 1.00 1.15 H new ATOM 0 HD3 ARG B 18 -19.988 13.091 2.555 1.00 1.15 H new ATOM 0 HE ARG B 18 -20.665 14.343 4.992 1.00 1.96 H new ATOM 0 HH11 ARG B 18 -18.485 14.897 2.317 1.00 2.84 H new ATOM 0 HH12 ARG B 18 -18.555 16.657 2.461 1.00 2.84 H new ATOM 0 HH21 ARG B 18 -20.756 16.594 5.177 1.00 3.63 H new ATOM 0 HH22 ARG B 18 -19.830 17.609 4.067 1.00 3.63 H new ATOM 1311 N LYS B 19 -20.934 7.627 3.975 1.00 0.40 N ATOM 1312 CA LYS B 19 -21.314 6.394 3.232 1.00 0.35 C ATOM 1313 C LYS B 19 -21.472 6.764 1.756 1.00 0.31 C ATOM 1314 O LYS B 19 -22.166 7.701 1.411 1.00 0.33 O ATOM 1315 CB LYS B 19 -22.638 5.854 3.809 1.00 0.38 C ATOM 1316 CG LYS B 19 -23.193 4.683 2.968 1.00 0.40 C ATOM 1317 CD LYS B 19 -24.689 4.501 3.251 1.00 0.62 C ATOM 1318 CE LYS B 19 -24.937 4.440 4.759 1.00 0.97 C ATOM 1319 NZ LYS B 19 -26.282 3.852 5.019 1.00 1.79 N ATOM 0 H LYS B 19 -21.606 7.935 4.677 1.00 0.40 H new ATOM 0 HA LYS B 19 -20.553 5.619 3.331 1.00 0.35 H new ATOM 0 HB2 LYS B 19 -22.479 5.522 4.835 1.00 0.38 H new ATOM 0 HB3 LYS B 19 -23.374 6.657 3.844 1.00 0.38 H new ATOM 0 HG2 LYS B 19 -23.036 4.879 1.907 1.00 0.40 H new ATOM 0 HG3 LYS B 19 -22.655 3.766 3.206 1.00 0.40 H new ATOM 0 HD2 LYS B 19 -25.252 5.326 2.815 1.00 0.62 H new ATOM 0 HD3 LYS B 19 -25.047 3.586 2.779 1.00 0.62 H new ATOM 0 HE2 LYS B 19 -24.166 3.838 5.241 1.00 0.97 H new ATOM 0 HE3 LYS B 19 -24.876 5.440 5.189 1.00 0.97 H new ATOM 0 HZ1 LYS B 19 -26.450 3.811 6.044 1.00 1.79 H new ATOM 0 HZ2 LYS B 19 -27.012 4.443 4.572 1.00 1.79 H new ATOM 0 HZ3 LYS B 19 -26.324 2.892 4.622 1.00 1.79 H new ATOM 1333 N LEU B 20 -20.832 6.040 0.881 1.00 0.27 N ATOM 1334 CA LEU B 20 -20.944 6.355 -0.569 1.00 0.27 C ATOM 1335 C LEU B 20 -22.342 5.932 -1.074 1.00 0.27 C ATOM 1336 O LEU B 20 -22.728 4.801 -0.856 1.00 0.27 O ATOM 1337 CB LEU B 20 -19.889 5.558 -1.341 1.00 0.24 C ATOM 1338 CG LEU B 20 -18.526 5.677 -0.655 1.00 0.23 C ATOM 1339 CD1 LEU B 20 -17.466 5.033 -1.547 1.00 0.22 C ATOM 1340 CD2 LEU B 20 -18.178 7.152 -0.433 1.00 0.27 C ATOM 0 H LEU B 20 -20.236 5.244 1.108 1.00 0.27 H new ATOM 0 HA LEU B 20 -20.795 7.424 -0.721 1.00 0.27 H new ATOM 0 HB2 LEU B 20 -20.185 4.510 -1.398 1.00 0.24 H new ATOM 0 HB3 LEU B 20 -19.822 5.927 -2.365 1.00 0.24 H new ATOM 0 HG LEU B 20 -18.559 5.172 0.311 1.00 0.23 H new ATOM 0 HD11 LEU B 20 -16.490 5.112 -1.068 1.00 0.22 H new ATOM 0 HD12 LEU B 20 -17.710 3.982 -1.702 1.00 0.22 H new ATOM 0 HD13 LEU B 20 -17.440 5.545 -2.509 1.00 0.22 H new ATOM 0 HD21 LEU B 20 -17.207 7.227 0.056 1.00 0.27 H new ATOM 0 HD22 LEU B 20 -18.142 7.666 -1.394 1.00 0.27 H new ATOM 0 HD23 LEU B 20 -18.938 7.614 0.197 1.00 0.27 H new ATOM 1352 N PRO B 21 -23.073 6.810 -1.747 1.00 0.31 N ATOM 1353 CA PRO B 21 -24.403 6.435 -2.263 1.00 0.34 C ATOM 1354 C PRO B 21 -24.287 5.177 -3.127 1.00 0.30 C ATOM 1355 O PRO B 21 -23.330 5.002 -3.854 1.00 0.29 O ATOM 1356 CB PRO B 21 -24.861 7.643 -3.111 1.00 0.39 C ATOM 1357 CG PRO B 21 -23.838 8.790 -2.872 1.00 0.42 C ATOM 1358 CD PRO B 21 -22.670 8.204 -2.047 1.00 0.35 C ATOM 0 HA PRO B 21 -25.113 6.212 -1.467 1.00 0.34 H new ATOM 0 HB2 PRO B 21 -24.901 7.378 -4.167 1.00 0.39 H new ATOM 0 HB3 PRO B 21 -25.864 7.957 -2.823 1.00 0.39 H new ATOM 0 HG2 PRO B 21 -23.477 9.186 -3.821 1.00 0.42 H new ATOM 0 HG3 PRO B 21 -24.307 9.617 -2.339 1.00 0.42 H new ATOM 0 HD2 PRO B 21 -21.737 8.233 -2.609 1.00 0.35 H new ATOM 0 HD3 PRO B 21 -22.509 8.774 -1.132 1.00 0.35 H new ATOM 1366 N ARG B 22 -25.259 4.314 -3.072 1.00 0.31 N ATOM 1367 CA ARG B 22 -25.202 3.090 -3.915 1.00 0.30 C ATOM 1368 C ARG B 22 -24.903 3.505 -5.357 1.00 0.31 C ATOM 1369 O ARG B 22 -24.200 2.827 -6.079 1.00 0.31 O ATOM 1370 CB ARG B 22 -26.543 2.363 -3.859 1.00 0.33 C ATOM 1371 CG ARG B 22 -26.437 1.051 -4.647 1.00 0.69 C ATOM 1372 CD ARG B 22 -27.732 0.235 -4.502 1.00 1.24 C ATOM 1373 NE ARG B 22 -27.409 -1.228 -4.515 1.00 1.34 N ATOM 1374 CZ ARG B 22 -26.643 -1.746 -5.439 1.00 2.07 C ATOM 1375 NH1 ARG B 22 -26.290 -1.043 -6.479 1.00 2.89 N ATOM 1376 NH2 ARG B 22 -26.274 -2.995 -5.348 1.00 2.44 N ATOM 0 H ARG B 22 -26.087 4.402 -2.483 1.00 0.31 H new ATOM 0 HA ARG B 22 -24.422 2.422 -3.549 1.00 0.30 H new ATOM 0 HB2 ARG B 22 -26.817 2.159 -2.824 1.00 0.33 H new ATOM 0 HB3 ARG B 22 -27.329 2.991 -4.279 1.00 0.33 H new ATOM 0 HG2 ARG B 22 -26.250 1.265 -5.699 1.00 0.69 H new ATOM 0 HG3 ARG B 22 -25.590 0.469 -4.285 1.00 0.69 H new ATOM 0 HD2 ARG B 22 -28.237 0.498 -3.573 1.00 1.24 H new ATOM 0 HD3 ARG B 22 -28.417 0.474 -5.316 1.00 1.24 H new ATOM 0 HE ARG B 22 -27.794 -1.832 -3.789 1.00 1.34 H new ATOM 0 HH11 ARG B 22 -26.612 -0.080 -6.577 1.00 2.89 H new ATOM 0 HH12 ARG B 22 -25.692 -1.456 -7.195 1.00 2.89 H new ATOM 0 HH21 ARG B 22 -26.583 -3.562 -4.559 1.00 2.44 H new ATOM 0 HH22 ARG B 22 -25.676 -3.404 -6.066 1.00 2.44 H new ATOM 1390 N ASN B 23 -25.433 4.626 -5.773 1.00 0.34 N ATOM 1391 CA ASN B 23 -25.182 5.100 -7.162 1.00 0.37 C ATOM 1392 C ASN B 23 -23.753 5.638 -7.271 1.00 0.37 C ATOM 1393 O ASN B 23 -23.429 6.375 -8.183 1.00 0.40 O ATOM 1394 CB ASN B 23 -26.176 6.209 -7.516 1.00 0.42 C ATOM 1395 CG ASN B 23 -26.259 7.212 -6.363 1.00 1.47 C ATOM 1396 OD1 ASN B 23 -26.905 6.958 -5.367 1.00 2.16 O ATOM 1397 ND2 ASN B 23 -25.626 8.350 -6.459 1.00 2.38 N ATOM 0 H ASN B 23 -26.029 5.232 -5.209 1.00 0.34 H new ATOM 0 HA ASN B 23 -25.309 4.268 -7.854 1.00 0.37 H new ATOM 0 HB2 ASN B 23 -25.862 6.715 -8.429 1.00 0.42 H new ATOM 0 HB3 ASN B 23 -27.159 5.781 -7.711 1.00 0.42 H new ATOM 0 HD21 ASN B 23 -25.674 9.026 -5.697 1.00 2.38 H new ATOM 0 HD22 ASN B 23 -25.083 8.563 -7.296 1.00 2.38 H new ATOM 1404 N PHE B 24 -22.895 5.284 -6.347 1.00 0.33 N ATOM 1405 CA PHE B 24 -21.483 5.782 -6.392 1.00 0.33 C ATOM 1406 C PHE B 24 -20.543 4.637 -6.000 1.00 0.30 C ATOM 1407 O PHE B 24 -19.471 4.850 -5.471 1.00 0.28 O ATOM 1408 CB PHE B 24 -21.334 6.952 -5.399 1.00 0.33 C ATOM 1409 CG PHE B 24 -20.153 7.825 -5.776 1.00 0.35 C ATOM 1410 CD1 PHE B 24 -20.132 8.481 -7.025 1.00 0.39 C ATOM 1411 CD2 PHE B 24 -19.079 7.995 -4.877 1.00 0.35 C ATOM 1412 CE1 PHE B 24 -19.042 9.299 -7.372 1.00 0.41 C ATOM 1413 CE2 PHE B 24 -17.989 8.814 -5.228 1.00 0.37 C ATOM 1414 CZ PHE B 24 -17.971 9.467 -6.475 1.00 0.41 C ATOM 0 H PHE B 24 -23.111 4.670 -5.561 1.00 0.33 H new ATOM 0 HA PHE B 24 -21.232 6.128 -7.395 1.00 0.33 H new ATOM 0 HB2 PHE B 24 -22.246 7.548 -5.392 1.00 0.33 H new ATOM 0 HB3 PHE B 24 -21.199 6.564 -4.389 1.00 0.33 H new ATOM 0 HD1 PHE B 24 -20.953 8.355 -7.715 1.00 0.39 H new ATOM 0 HD2 PHE B 24 -19.093 7.497 -3.919 1.00 0.35 H new ATOM 0 HE1 PHE B 24 -19.027 9.799 -8.329 1.00 0.41 H new ATOM 0 HE2 PHE B 24 -17.166 8.941 -4.540 1.00 0.37 H new ATOM 0 HZ PHE B 24 -17.135 10.097 -6.743 1.00 0.41 H new ATOM 1424 N VAL B 25 -20.947 3.421 -6.264 1.00 0.30 N ATOM 1425 CA VAL B 25 -20.096 2.244 -5.922 1.00 0.28 C ATOM 1426 C VAL B 25 -20.372 1.129 -6.932 1.00 0.30 C ATOM 1427 O VAL B 25 -21.230 0.292 -6.729 1.00 0.31 O ATOM 1428 CB VAL B 25 -20.448 1.745 -4.517 1.00 0.24 C ATOM 1429 CG1 VAL B 25 -19.497 0.616 -4.119 1.00 0.22 C ATOM 1430 CG2 VAL B 25 -20.315 2.891 -3.513 1.00 0.23 C ATOM 0 H VAL B 25 -21.838 3.192 -6.706 1.00 0.30 H new ATOM 0 HA VAL B 25 -19.044 2.529 -5.952 1.00 0.28 H new ATOM 0 HB VAL B 25 -21.474 1.377 -4.517 1.00 0.24 H new ATOM 0 HG11 VAL B 25 -19.750 0.263 -3.119 1.00 0.22 H new ATOM 0 HG12 VAL B 25 -19.591 -0.206 -4.829 1.00 0.22 H new ATOM 0 HG13 VAL B 25 -18.471 0.985 -4.125 1.00 0.22 H new ATOM 0 HG21 VAL B 25 -20.566 2.532 -2.515 1.00 0.23 H new ATOM 0 HG22 VAL B 25 -19.290 3.262 -3.518 1.00 0.23 H new ATOM 0 HG23 VAL B 25 -20.994 3.698 -3.790 1.00 0.23 H new ATOM 1440 N VAL B 26 -19.659 1.115 -8.026 1.00 0.33 N ATOM 1441 CA VAL B 26 -19.887 0.060 -9.052 1.00 0.36 C ATOM 1442 C VAL B 26 -19.095 -1.192 -8.692 1.00 0.35 C ATOM 1443 O VAL B 26 -19.281 -2.242 -9.273 1.00 0.37 O ATOM 1444 CB VAL B 26 -19.426 0.579 -10.413 1.00 0.41 C ATOM 1445 CG1 VAL B 26 -20.371 1.685 -10.882 1.00 0.78 C ATOM 1446 CG2 VAL B 26 -18.006 1.141 -10.292 1.00 0.61 C ATOM 0 H VAL B 26 -18.928 1.790 -8.253 1.00 0.33 H new ATOM 0 HA VAL B 26 -20.948 -0.187 -9.089 1.00 0.36 H new ATOM 0 HB VAL B 26 -19.434 -0.238 -11.134 1.00 0.41 H new ATOM 0 HG11 VAL B 26 -20.043 2.056 -11.853 1.00 0.78 H new ATOM 0 HG12 VAL B 26 -21.382 1.287 -10.968 1.00 0.78 H new ATOM 0 HG13 VAL B 26 -20.362 2.501 -10.160 1.00 0.78 H new ATOM 0 HG21 VAL B 26 -17.677 1.511 -11.263 1.00 0.61 H new ATOM 0 HG22 VAL B 26 -17.998 1.958 -9.571 1.00 0.61 H new ATOM 0 HG23 VAL B 26 -17.331 0.354 -9.956 1.00 0.61 H new ATOM 1456 N ASP B 27 -18.213 -1.097 -7.738 1.00 0.32 N ATOM 1457 CA ASP B 27 -17.420 -2.295 -7.357 1.00 0.31 C ATOM 1458 C ASP B 27 -16.643 -2.000 -6.079 1.00 0.27 C ATOM 1459 O ASP B 27 -16.816 -0.971 -5.458 1.00 0.25 O ATOM 1460 CB ASP B 27 -16.438 -2.632 -8.482 1.00 0.34 C ATOM 1461 CG ASP B 27 -15.865 -4.033 -8.257 1.00 0.35 C ATOM 1462 OD1 ASP B 27 -16.647 -4.966 -8.181 1.00 1.09 O ATOM 1463 OD2 ASP B 27 -14.654 -4.148 -8.164 1.00 1.13 O ATOM 0 H ASP B 27 -18.009 -0.249 -7.210 1.00 0.32 H new ATOM 0 HA ASP B 27 -18.089 -3.139 -7.191 1.00 0.31 H new ATOM 0 HB2 ASP B 27 -16.944 -2.585 -9.447 1.00 0.34 H new ATOM 0 HB3 ASP B 27 -15.633 -1.898 -8.508 1.00 0.34 H new ATOM 1468 N TYR B 28 -15.782 -2.895 -5.683 1.00 0.26 N ATOM 1469 CA TYR B 28 -14.990 -2.663 -4.447 1.00 0.23 C ATOM 1470 C TYR B 28 -13.703 -3.478 -4.499 1.00 0.25 C ATOM 1471 O TYR B 28 -13.392 -4.119 -5.483 1.00 0.29 O ATOM 1472 CB TYR B 28 -15.811 -3.049 -3.209 1.00 0.19 C ATOM 1473 CG TYR B 28 -15.927 -4.557 -3.088 1.00 0.21 C ATOM 1474 CD1 TYR B 28 -16.598 -5.297 -4.081 1.00 0.25 C ATOM 1475 CD2 TYR B 28 -15.374 -5.219 -1.973 1.00 0.19 C ATOM 1476 CE1 TYR B 28 -16.715 -6.694 -3.961 1.00 0.27 C ATOM 1477 CE2 TYR B 28 -15.491 -6.615 -1.850 1.00 0.22 C ATOM 1478 CZ TYR B 28 -16.161 -7.354 -2.845 1.00 0.25 C ATOM 1479 OH TYR B 28 -16.276 -8.725 -2.725 1.00 0.28 O ATOM 0 H TYR B 28 -15.594 -3.776 -6.162 1.00 0.26 H new ATOM 0 HA TYR B 28 -14.739 -1.604 -4.381 1.00 0.23 H new ATOM 0 HB2 TYR B 28 -15.340 -2.643 -2.314 1.00 0.19 H new ATOM 0 HB3 TYR B 28 -16.805 -2.607 -3.274 1.00 0.19 H new ATOM 0 HD1 TYR B 28 -17.023 -4.792 -4.935 1.00 0.25 H new ATOM 0 HD2 TYR B 28 -14.859 -4.653 -1.211 1.00 0.19 H new ATOM 0 HE1 TYR B 28 -17.229 -7.261 -4.723 1.00 0.27 H new ATOM 0 HE2 TYR B 28 -15.068 -7.120 -0.994 1.00 0.22 H new ATOM 0 HH TYR B 28 -15.838 -9.019 -1.899 1.00 0.28 H new ATOM 1489 N TYR B 29 -12.950 -3.437 -3.446 1.00 0.23 N ATOM 1490 CA TYR B 29 -11.667 -4.180 -3.407 1.00 0.25 C ATOM 1491 C TYR B 29 -11.239 -4.324 -1.941 1.00 0.22 C ATOM 1492 O TYR B 29 -11.378 -3.408 -1.163 1.00 0.23 O ATOM 1493 CB TYR B 29 -10.630 -3.381 -4.216 1.00 0.29 C ATOM 1494 CG TYR B 29 -9.224 -3.786 -3.837 1.00 0.31 C ATOM 1495 CD1 TYR B 29 -8.831 -5.130 -3.954 1.00 0.36 C ATOM 1496 CD2 TYR B 29 -8.312 -2.820 -3.367 1.00 0.35 C ATOM 1497 CE1 TYR B 29 -7.523 -5.515 -3.600 1.00 0.39 C ATOM 1498 CE2 TYR B 29 -7.004 -3.203 -3.014 1.00 0.38 C ATOM 1499 CZ TYR B 29 -6.610 -4.551 -3.129 1.00 0.36 C ATOM 1500 OH TYR B 29 -5.328 -4.927 -2.782 1.00 0.39 O ATOM 0 H TYR B 29 -13.170 -2.914 -2.598 1.00 0.23 H new ATOM 0 HA TYR B 29 -11.761 -5.175 -3.841 1.00 0.25 H new ATOM 0 HB2 TYR B 29 -10.786 -3.548 -5.282 1.00 0.29 H new ATOM 0 HB3 TYR B 29 -10.766 -2.314 -4.037 1.00 0.29 H new ATOM 0 HD1 TYR B 29 -9.532 -5.868 -4.315 1.00 0.36 H new ATOM 0 HD2 TYR B 29 -8.616 -1.788 -3.278 1.00 0.35 H new ATOM 0 HE1 TYR B 29 -7.220 -6.548 -3.690 1.00 0.39 H new ATOM 0 HE2 TYR B 29 -6.303 -2.464 -2.655 1.00 0.38 H new ATOM 0 HH TYR B 29 -4.828 -4.141 -2.478 1.00 0.39 H new ATOM 1510 N GLU B 30 -10.725 -5.461 -1.553 1.00 0.22 N ATOM 1511 CA GLU B 30 -10.297 -5.642 -0.129 1.00 0.20 C ATOM 1512 C GLU B 30 -8.791 -5.394 -0.014 1.00 0.21 C ATOM 1513 O GLU B 30 -8.054 -5.507 -0.974 1.00 0.24 O ATOM 1514 CB GLU B 30 -10.617 -7.065 0.324 1.00 0.22 C ATOM 1515 CG GLU B 30 -12.116 -7.326 0.169 1.00 0.25 C ATOM 1516 CD GLU B 30 -12.453 -7.505 -1.313 1.00 0.69 C ATOM 1517 OE1 GLU B 30 -12.291 -8.608 -1.807 1.00 1.35 O ATOM 1518 OE2 GLU B 30 -12.869 -6.536 -1.927 1.00 1.43 O ATOM 0 H GLU B 30 -10.582 -6.271 -2.156 1.00 0.22 H new ATOM 0 HA GLU B 30 -10.831 -4.933 0.504 1.00 0.20 H new ATOM 0 HB2 GLU B 30 -10.049 -7.783 -0.268 1.00 0.22 H new ATOM 0 HB3 GLU B 30 -10.319 -7.203 1.363 1.00 0.22 H new ATOM 0 HG2 GLU B 30 -12.400 -8.218 0.728 1.00 0.25 H new ATOM 0 HG3 GLU B 30 -12.685 -6.495 0.584 1.00 0.25 H new ATOM 1525 N THR B 31 -8.332 -5.045 1.156 1.00 0.19 N ATOM 1526 CA THR B 31 -6.874 -4.774 1.348 1.00 0.21 C ATOM 1527 C THR B 31 -6.083 -6.082 1.329 1.00 0.25 C ATOM 1528 O THR B 31 -6.575 -7.120 0.933 1.00 0.27 O ATOM 1529 CB THR B 31 -6.669 -4.093 2.699 1.00 0.20 C ATOM 1530 OG1 THR B 31 -7.342 -4.841 3.696 1.00 0.21 O ATOM 1531 CG2 THR B 31 -7.228 -2.670 2.641 1.00 0.20 C ATOM 0 H THR B 31 -8.905 -4.935 1.993 1.00 0.19 H new ATOM 0 HA THR B 31 -6.523 -4.132 0.540 1.00 0.21 H new ATOM 0 HB THR B 31 -5.607 -4.045 2.938 1.00 0.20 H new ATOM 0 HG1 THR B 31 -7.643 -5.693 3.318 1.00 0.21 H new ATOM 0 HG21 THR B 31 -7.082 -2.182 3.605 1.00 0.20 H new ATOM 0 HG22 THR B 31 -6.708 -2.106 1.867 1.00 0.20 H new ATOM 0 HG23 THR B 31 -8.293 -2.706 2.410 1.00 0.20 H new ATOM 1539 N SER B 32 -4.853 -6.029 1.765 1.00 0.27 N ATOM 1540 CA SER B 32 -4.003 -7.251 1.791 1.00 0.31 C ATOM 1541 C SER B 32 -4.224 -7.997 3.105 1.00 0.33 C ATOM 1542 O SER B 32 -5.325 -8.079 3.613 1.00 0.33 O ATOM 1543 CB SER B 32 -2.534 -6.844 1.686 1.00 0.33 C ATOM 1544 OG SER B 32 -1.743 -7.998 1.431 1.00 1.27 O ATOM 0 H SER B 32 -4.398 -5.183 2.107 1.00 0.27 H new ATOM 0 HA SER B 32 -4.268 -7.898 0.955 1.00 0.31 H new ATOM 0 HB2 SER B 32 -2.403 -6.115 0.886 1.00 0.33 H new ATOM 0 HB3 SER B 32 -2.211 -6.364 2.610 1.00 0.33 H new ATOM 0 HG SER B 32 -0.800 -7.740 1.361 1.00 1.27 H new ATOM 1550 N SER B 33 -3.177 -8.542 3.655 1.00 0.36 N ATOM 1551 CA SER B 33 -3.294 -9.293 4.942 1.00 0.40 C ATOM 1552 C SER B 33 -2.040 -9.047 5.773 1.00 0.40 C ATOM 1553 O SER B 33 -2.088 -8.952 6.984 1.00 0.42 O ATOM 1554 CB SER B 33 -3.402 -10.783 4.640 1.00 0.46 C ATOM 1555 OG SER B 33 -2.103 -11.308 4.402 1.00 0.48 O ATOM 0 H SER B 33 -2.235 -8.501 3.267 1.00 0.36 H new ATOM 0 HA SER B 33 -4.176 -8.959 5.488 1.00 0.40 H new ATOM 0 HB2 SER B 33 -3.869 -11.303 5.476 1.00 0.46 H new ATOM 0 HB3 SER B 33 -4.037 -10.944 3.769 1.00 0.46 H new ATOM 0 HG SER B 33 -2.168 -12.267 4.209 1.00 0.48 H new ATOM 1561 N LEU B 34 -0.916 -8.954 5.115 1.00 0.39 N ATOM 1562 CA LEU B 34 0.378 -8.720 5.824 1.00 0.39 C ATOM 1563 C LEU B 34 0.188 -7.720 6.967 1.00 0.37 C ATOM 1564 O LEU B 34 0.482 -8.004 8.111 1.00 0.40 O ATOM 1565 CB LEU B 34 1.403 -8.156 4.837 1.00 0.36 C ATOM 1566 CG LEU B 34 1.316 -8.898 3.503 1.00 0.39 C ATOM 1567 CD1 LEU B 34 2.470 -8.452 2.600 1.00 0.40 C ATOM 1568 CD2 LEU B 34 1.408 -10.408 3.747 1.00 0.45 C ATOM 0 H LEU B 34 -0.837 -9.031 4.101 1.00 0.39 H new ATOM 0 HA LEU B 34 0.729 -9.668 6.232 1.00 0.39 H new ATOM 0 HB2 LEU B 34 1.222 -7.092 4.682 1.00 0.36 H new ATOM 0 HB3 LEU B 34 2.407 -8.252 5.250 1.00 0.36 H new ATOM 0 HG LEU B 34 0.366 -8.670 3.020 1.00 0.39 H new ATOM 0 HD11 LEU B 34 2.411 -8.979 1.648 1.00 0.40 H new ATOM 0 HD12 LEU B 34 2.401 -7.378 2.425 1.00 0.40 H new ATOM 0 HD13 LEU B 34 3.420 -8.681 3.083 1.00 0.40 H new ATOM 0 HD21 LEU B 34 1.346 -10.935 2.795 1.00 0.45 H new ATOM 0 HD22 LEU B 34 2.357 -10.641 4.230 1.00 0.45 H new ATOM 0 HD23 LEU B 34 0.587 -10.723 4.390 1.00 0.45 H new ATOM 1580 N CYS B 35 -0.296 -6.552 6.660 1.00 0.33 N ATOM 1581 CA CYS B 35 -0.499 -5.532 7.725 1.00 0.34 C ATOM 1582 C CYS B 35 -1.657 -5.966 8.630 1.00 0.39 C ATOM 1583 O CYS B 35 -2.719 -6.326 8.169 1.00 0.39 O ATOM 1584 CB CYS B 35 -0.805 -4.173 7.085 1.00 0.32 C ATOM 1585 SG CYS B 35 -1.890 -4.398 5.653 1.00 0.40 S ATOM 0 H CYS B 35 -0.560 -6.258 5.719 1.00 0.33 H new ATOM 0 HA CYS B 35 0.407 -5.441 8.325 1.00 0.34 H new ATOM 0 HB2 CYS B 35 -1.281 -3.517 7.814 1.00 0.32 H new ATOM 0 HB3 CYS B 35 0.122 -3.689 6.778 1.00 0.32 H new ATOM 1590 N SER B 36 -1.443 -5.959 9.916 1.00 0.44 N ATOM 1591 CA SER B 36 -2.513 -6.385 10.866 1.00 0.51 C ATOM 1592 C SER B 36 -3.702 -5.410 10.848 1.00 0.51 C ATOM 1593 O SER B 36 -4.356 -5.226 11.855 1.00 0.58 O ATOM 1594 CB SER B 36 -1.933 -6.442 12.279 1.00 0.59 C ATOM 1595 OG SER B 36 -0.731 -7.202 12.263 1.00 1.41 O ATOM 0 H SER B 36 -0.567 -5.675 10.354 1.00 0.44 H new ATOM 0 HA SER B 36 -2.873 -7.367 10.558 1.00 0.51 H new ATOM 0 HB2 SER B 36 -1.735 -5.434 12.644 1.00 0.59 H new ATOM 0 HB3 SER B 36 -2.653 -6.893 12.962 1.00 0.59 H new ATOM 0 HG SER B 36 -0.355 -7.239 13.167 1.00 1.41 H new ATOM 1601 N GLN B 37 -4.003 -4.781 9.738 1.00 0.45 N ATOM 1602 CA GLN B 37 -5.163 -3.832 9.733 1.00 0.47 C ATOM 1603 C GLN B 37 -5.760 -3.697 8.324 1.00 0.36 C ATOM 1604 O GLN B 37 -5.707 -2.632 7.743 1.00 0.35 O ATOM 1605 CB GLN B 37 -4.692 -2.456 10.215 1.00 0.55 C ATOM 1606 CG GLN B 37 -3.386 -2.081 9.511 1.00 0.78 C ATOM 1607 CD GLN B 37 -3.001 -0.648 9.882 1.00 0.79 C ATOM 1608 OE1 GLN B 37 -2.312 -0.425 10.857 1.00 1.24 O ATOM 1609 NE2 GLN B 37 -3.422 0.340 9.141 1.00 1.48 N ATOM 0 H GLN B 37 -3.508 -4.879 8.852 1.00 0.45 H new ATOM 0 HA GLN B 37 -5.932 -4.224 10.398 1.00 0.47 H new ATOM 0 HB2 GLN B 37 -5.456 -1.707 10.008 1.00 0.55 H new ATOM 0 HB3 GLN B 37 -4.543 -2.470 11.295 1.00 0.55 H new ATOM 0 HG2 GLN B 37 -2.593 -2.769 9.802 1.00 0.78 H new ATOM 0 HG3 GLN B 37 -3.504 -2.169 8.431 1.00 0.78 H new ATOM 0 HE21 GLN B 37 -4.001 0.153 8.322 1.00 1.48 H new ATOM 0 HE22 GLN B 37 -3.172 1.300 9.381 1.00 1.48 H new ATOM 1618 N PRO B 38 -6.334 -4.766 7.815 1.00 0.34 N ATOM 1619 CA PRO B 38 -6.963 -4.741 6.479 1.00 0.26 C ATOM 1620 C PRO B 38 -8.230 -3.874 6.533 1.00 0.25 C ATOM 1621 O PRO B 38 -8.615 -3.379 7.574 1.00 0.27 O ATOM 1622 CB PRO B 38 -7.311 -6.219 6.182 1.00 0.33 C ATOM 1623 CG PRO B 38 -7.059 -7.028 7.487 1.00 0.43 C ATOM 1624 CD PRO B 38 -6.399 -6.072 8.507 1.00 0.43 C ATOM 0 HA PRO B 38 -6.319 -4.320 5.707 1.00 0.26 H new ATOM 0 HB2 PRO B 38 -8.350 -6.313 5.867 1.00 0.33 H new ATOM 0 HB3 PRO B 38 -6.695 -6.602 5.368 1.00 0.33 H new ATOM 0 HG2 PRO B 38 -7.996 -7.421 7.881 1.00 0.43 H new ATOM 0 HG3 PRO B 38 -6.413 -7.883 7.289 1.00 0.43 H new ATOM 0 HD2 PRO B 38 -6.986 -6.005 9.423 1.00 0.43 H new ATOM 0 HD3 PRO B 38 -5.405 -6.420 8.789 1.00 0.43 H new ATOM 1632 N ALA B 39 -8.875 -3.698 5.418 1.00 0.23 N ATOM 1633 CA ALA B 39 -10.115 -2.883 5.378 1.00 0.22 C ATOM 1634 C ALA B 39 -10.789 -3.112 4.028 1.00 0.19 C ATOM 1635 O ALA B 39 -10.209 -3.696 3.135 1.00 0.22 O ATOM 1636 CB ALA B 39 -9.761 -1.401 5.528 1.00 0.23 C ATOM 0 H ALA B 39 -8.591 -4.090 4.520 1.00 0.23 H new ATOM 0 HA ALA B 39 -10.783 -3.170 6.190 1.00 0.22 H new ATOM 0 HB1 ALA B 39 -10.673 -0.804 5.498 1.00 0.23 H new ATOM 0 HB2 ALA B 39 -9.254 -1.242 6.480 1.00 0.23 H new ATOM 0 HB3 ALA B 39 -9.104 -1.100 4.713 1.00 0.23 H new ATOM 1642 N VAL B 40 -11.994 -2.642 3.856 1.00 0.15 N ATOM 1643 CA VAL B 40 -12.681 -2.821 2.542 1.00 0.13 C ATOM 1644 C VAL B 40 -12.494 -1.535 1.742 1.00 0.13 C ATOM 1645 O VAL B 40 -12.466 -0.451 2.292 1.00 0.18 O ATOM 1646 CB VAL B 40 -14.176 -3.093 2.764 1.00 0.12 C ATOM 1647 CG1 VAL B 40 -14.947 -2.876 1.457 1.00 0.12 C ATOM 1648 CG2 VAL B 40 -14.361 -4.544 3.214 1.00 0.16 C ATOM 0 H VAL B 40 -12.532 -2.143 4.565 1.00 0.15 H new ATOM 0 HA VAL B 40 -12.259 -3.669 2.002 1.00 0.13 H new ATOM 0 HB VAL B 40 -14.555 -2.411 3.526 1.00 0.12 H new ATOM 0 HG11 VAL B 40 -16.007 -3.071 1.623 1.00 0.12 H new ATOM 0 HG12 VAL B 40 -14.815 -1.847 1.123 1.00 0.12 H new ATOM 0 HG13 VAL B 40 -14.568 -3.556 0.694 1.00 0.12 H new ATOM 0 HG21 VAL B 40 -15.421 -4.743 3.373 1.00 0.16 H new ATOM 0 HG22 VAL B 40 -13.977 -5.215 2.446 1.00 0.16 H new ATOM 0 HG23 VAL B 40 -13.817 -4.709 4.144 1.00 0.16 H new ATOM 1658 N VAL B 41 -12.346 -1.654 0.452 1.00 0.15 N ATOM 1659 CA VAL B 41 -12.135 -0.452 -0.414 1.00 0.16 C ATOM 1660 C VAL B 41 -13.255 -0.363 -1.456 1.00 0.16 C ATOM 1661 O VAL B 41 -13.416 -1.238 -2.278 1.00 0.18 O ATOM 1662 CB VAL B 41 -10.781 -0.586 -1.111 1.00 0.21 C ATOM 1663 CG1 VAL B 41 -10.335 0.767 -1.652 1.00 0.25 C ATOM 1664 CG2 VAL B 41 -9.744 -1.090 -0.103 1.00 0.23 C ATOM 0 H VAL B 41 -12.362 -2.543 -0.048 1.00 0.15 H new ATOM 0 HA VAL B 41 -12.150 0.454 0.192 1.00 0.16 H new ATOM 0 HB VAL B 41 -10.873 -1.290 -1.938 1.00 0.21 H new ATOM 0 HG11 VAL B 41 -9.370 0.661 -2.147 1.00 0.25 H new ATOM 0 HG12 VAL B 41 -11.071 1.133 -2.368 1.00 0.25 H new ATOM 0 HG13 VAL B 41 -10.245 1.476 -0.829 1.00 0.25 H new ATOM 0 HG21 VAL B 41 -8.776 -1.188 -0.595 1.00 0.23 H new ATOM 0 HG22 VAL B 41 -9.663 -0.381 0.721 1.00 0.23 H new ATOM 0 HG23 VAL B 41 -10.054 -2.061 0.283 1.00 0.23 H new ATOM 1674 N PHE B 42 -14.035 0.685 -1.431 1.00 0.15 N ATOM 1675 CA PHE B 42 -15.148 0.812 -2.421 1.00 0.17 C ATOM 1676 C PHE B 42 -14.660 1.552 -3.670 1.00 0.21 C ATOM 1677 O PHE B 42 -14.002 2.569 -3.589 1.00 0.23 O ATOM 1678 CB PHE B 42 -16.306 1.597 -1.795 1.00 0.16 C ATOM 1679 CG PHE B 42 -17.056 0.716 -0.821 1.00 0.14 C ATOM 1680 CD1 PHE B 42 -17.753 -0.416 -1.288 1.00 0.14 C ATOM 1681 CD2 PHE B 42 -17.062 1.027 0.553 1.00 0.13 C ATOM 1682 CE1 PHE B 42 -18.456 -1.234 -0.384 1.00 0.14 C ATOM 1683 CE2 PHE B 42 -17.765 0.210 1.457 1.00 0.14 C ATOM 1684 CZ PHE B 42 -18.462 -0.922 0.989 1.00 0.14 C ATOM 0 H PHE B 42 -13.951 1.458 -0.770 1.00 0.15 H new ATOM 0 HA PHE B 42 -15.485 -0.186 -2.701 1.00 0.17 H new ATOM 0 HB2 PHE B 42 -15.924 2.479 -1.281 1.00 0.16 H new ATOM 0 HB3 PHE B 42 -16.981 1.950 -2.574 1.00 0.16 H new ATOM 0 HD1 PHE B 42 -17.748 -0.656 -2.341 1.00 0.14 H new ATOM 0 HD2 PHE B 42 -16.527 1.893 0.913 1.00 0.13 H new ATOM 0 HE1 PHE B 42 -18.991 -2.101 -0.743 1.00 0.14 H new ATOM 0 HE2 PHE B 42 -17.771 0.450 2.510 1.00 0.14 H new ATOM 0 HZ PHE B 42 -19.001 -1.550 1.683 1.00 0.14 H new ATOM 1694 N GLN B 43 -15.006 1.052 -4.828 1.00 0.24 N ATOM 1695 CA GLN B 43 -14.599 1.717 -6.102 1.00 0.28 C ATOM 1696 C GLN B 43 -15.791 2.548 -6.593 1.00 0.30 C ATOM 1697 O GLN B 43 -16.876 2.025 -6.782 1.00 0.30 O ATOM 1698 CB GLN B 43 -14.237 0.640 -7.127 1.00 0.32 C ATOM 1699 CG GLN B 43 -12.972 -0.090 -6.673 1.00 0.32 C ATOM 1700 CD GLN B 43 -12.648 -1.213 -7.659 1.00 0.58 C ATOM 1701 OE1 GLN B 43 -12.067 -0.975 -8.700 1.00 1.29 O ATOM 1702 NE2 GLN B 43 -13.001 -2.437 -7.376 1.00 1.31 N ATOM 0 H GLN B 43 -15.559 0.203 -4.946 1.00 0.24 H new ATOM 0 HA GLN B 43 -13.734 2.363 -5.956 1.00 0.28 H new ATOM 0 HB2 GLN B 43 -15.060 -0.067 -7.234 1.00 0.32 H new ATOM 0 HB3 GLN B 43 -14.077 1.093 -8.106 1.00 0.32 H new ATOM 0 HG2 GLN B 43 -12.138 0.609 -6.615 1.00 0.32 H new ATOM 0 HG3 GLN B 43 -13.115 -0.500 -5.673 1.00 0.32 H new ATOM 0 HE21 GLN B 43 -13.489 -2.638 -6.503 1.00 1.31 H new ATOM 0 HE22 GLN B 43 -12.789 -3.192 -8.028 1.00 1.31 H new ATOM 1711 N THR B 44 -15.622 3.845 -6.758 1.00 0.32 N ATOM 1712 CA THR B 44 -16.784 4.701 -7.181 1.00 0.34 C ATOM 1713 C THR B 44 -16.790 4.955 -8.688 1.00 0.39 C ATOM 1714 O THR B 44 -16.143 4.274 -9.458 1.00 0.41 O ATOM 1715 CB THR B 44 -16.703 6.047 -6.463 1.00 0.34 C ATOM 1716 OG1 THR B 44 -15.779 6.883 -7.141 1.00 0.38 O ATOM 1717 CG2 THR B 44 -16.239 5.832 -5.024 1.00 0.29 C ATOM 0 H THR B 44 -14.742 4.342 -6.620 1.00 0.32 H new ATOM 0 HA THR B 44 -17.699 4.169 -6.920 1.00 0.34 H new ATOM 0 HB THR B 44 -17.686 6.518 -6.457 1.00 0.34 H new ATOM 0 HG1 THR B 44 -15.925 7.815 -6.875 1.00 0.38 H new ATOM 0 HG21 THR B 44 -16.182 6.793 -4.513 1.00 0.29 H new ATOM 0 HG22 THR B 44 -16.948 5.187 -4.506 1.00 0.29 H new ATOM 0 HG23 THR B 44 -15.255 5.362 -5.025 1.00 0.29 H new ATOM 1725 N LYS B 45 -17.546 5.947 -9.103 1.00 0.43 N ATOM 1726 CA LYS B 45 -17.650 6.293 -10.554 1.00 0.48 C ATOM 1727 C LYS B 45 -16.900 7.600 -10.832 1.00 0.51 C ATOM 1728 O LYS B 45 -16.491 7.858 -11.947 1.00 0.56 O ATOM 1729 CB LYS B 45 -19.127 6.491 -10.927 1.00 0.50 C ATOM 1730 CG LYS B 45 -19.984 5.373 -10.329 1.00 0.46 C ATOM 1731 CD LYS B 45 -21.457 5.649 -10.647 1.00 0.49 C ATOM 1732 CE LYS B 45 -22.316 4.454 -10.228 1.00 0.54 C ATOM 1733 NZ LYS B 45 -23.733 4.890 -10.087 1.00 1.55 N ATOM 0 H LYS B 45 -18.102 6.538 -8.486 1.00 0.43 H new ATOM 0 HA LYS B 45 -17.216 5.484 -11.142 1.00 0.48 H new ATOM 0 HB2 LYS B 45 -19.474 7.458 -10.563 1.00 0.50 H new ATOM 0 HB3 LYS B 45 -19.236 6.501 -12.011 1.00 0.50 H new ATOM 0 HG2 LYS B 45 -19.685 4.409 -10.739 1.00 0.46 H new ATOM 0 HG3 LYS B 45 -19.835 5.320 -9.250 1.00 0.46 H new ATOM 0 HD2 LYS B 45 -21.788 6.546 -10.125 1.00 0.49 H new ATOM 0 HD3 LYS B 45 -21.578 5.838 -11.714 1.00 0.49 H new ATOM 0 HE2 LYS B 45 -22.240 3.659 -10.970 1.00 0.54 H new ATOM 0 HE3 LYS B 45 -21.954 4.045 -9.285 1.00 0.54 H new ATOM 0 HZ1 LYS B 45 -24.280 4.144 -9.612 1.00 1.55 H new ATOM 0 HZ2 LYS B 45 -23.773 5.762 -9.522 1.00 1.55 H new ATOM 0 HZ3 LYS B 45 -24.137 5.068 -11.029 1.00 1.55 H new ATOM 1747 N ARG B 46 -16.728 8.435 -9.830 1.00 0.50 N ATOM 1748 CA ARG B 46 -16.014 9.740 -10.036 1.00 0.54 C ATOM 1749 C ARG B 46 -14.916 9.866 -8.978 1.00 0.49 C ATOM 1750 O ARG B 46 -14.800 10.857 -8.290 1.00 0.48 O ATOM 1751 CB ARG B 46 -17.025 10.900 -9.902 1.00 0.59 C ATOM 1752 CG ARG B 46 -16.524 12.171 -10.629 1.00 0.72 C ATOM 1753 CD ARG B 46 -15.505 12.943 -9.775 1.00 0.92 C ATOM 1754 NE ARG B 46 -15.516 14.390 -10.173 1.00 1.48 N ATOM 1755 CZ ARG B 46 -15.365 14.756 -11.418 1.00 2.13 C ATOM 1756 NH1 ARG B 46 -14.998 13.892 -12.324 1.00 2.62 N ATOM 1757 NH2 ARG B 46 -15.523 16.009 -11.747 1.00 2.82 N ATOM 0 H ARG B 46 -17.052 8.268 -8.877 1.00 0.50 H new ATOM 0 HA ARG B 46 -15.567 9.779 -11.029 1.00 0.54 H new ATOM 0 HB2 ARG B 46 -17.986 10.597 -10.317 1.00 0.59 H new ATOM 0 HB3 ARG B 46 -17.188 11.122 -8.848 1.00 0.59 H new ATOM 0 HG2 ARG B 46 -16.068 11.892 -11.579 1.00 0.72 H new ATOM 0 HG3 ARG B 46 -17.371 12.817 -10.860 1.00 0.72 H new ATOM 0 HD2 ARG B 46 -15.750 12.843 -8.718 1.00 0.92 H new ATOM 0 HD3 ARG B 46 -14.508 12.524 -9.912 1.00 0.92 H new ATOM 0 HE ARG B 46 -15.644 15.104 -9.456 1.00 1.48 H new ATOM 0 HH11 ARG B 46 -14.826 12.921 -12.063 1.00 2.62 H new ATOM 0 HH12 ARG B 46 -14.883 14.187 -13.293 1.00 2.62 H new ATOM 0 HH21 ARG B 46 -15.763 16.697 -11.034 1.00 2.82 H new ATOM 0 HH22 ARG B 46 -15.406 16.300 -12.718 1.00 2.82 H new ATOM 1771 N SER B 47 -14.104 8.861 -8.853 1.00 0.46 N ATOM 1772 CA SER B 47 -13.004 8.899 -7.868 1.00 0.42 C ATOM 1773 C SER B 47 -12.053 7.755 -8.196 1.00 0.42 C ATOM 1774 O SER B 47 -11.538 7.664 -9.292 1.00 0.46 O ATOM 1775 CB SER B 47 -13.557 8.764 -6.441 1.00 0.38 C ATOM 1776 OG SER B 47 -14.725 9.562 -6.315 1.00 1.07 O ATOM 0 H SER B 47 -14.159 8.003 -9.402 1.00 0.46 H new ATOM 0 HA SER B 47 -12.475 9.851 -7.919 1.00 0.42 H new ATOM 0 HB2 SER B 47 -13.790 7.721 -6.226 1.00 0.38 H new ATOM 0 HB3 SER B 47 -12.807 9.080 -5.716 1.00 0.38 H new ATOM 0 HG SER B 47 -14.578 10.428 -6.748 1.00 1.07 H new ATOM 1782 N LYS B 48 -11.831 6.876 -7.277 1.00 0.38 N ATOM 1783 CA LYS B 48 -10.927 5.727 -7.544 1.00 0.40 C ATOM 1784 C LYS B 48 -11.234 4.635 -6.531 1.00 0.35 C ATOM 1785 O LYS B 48 -12.138 3.842 -6.700 1.00 0.34 O ATOM 1786 CB LYS B 48 -9.462 6.162 -7.388 1.00 0.44 C ATOM 1787 CG LYS B 48 -9.033 7.050 -8.567 1.00 1.11 C ATOM 1788 CD LYS B 48 -7.493 7.102 -8.659 1.00 1.38 C ATOM 1789 CE LYS B 48 -6.969 5.924 -9.493 1.00 2.13 C ATOM 1790 NZ LYS B 48 -7.096 6.249 -10.942 1.00 2.73 N ATOM 0 H LYS B 48 -12.237 6.898 -6.342 1.00 0.38 H new ATOM 0 HA LYS B 48 -11.081 5.364 -8.560 1.00 0.40 H new ATOM 0 HB2 LYS B 48 -9.336 6.706 -6.452 1.00 0.44 H new ATOM 0 HB3 LYS B 48 -8.820 5.283 -7.335 1.00 0.44 H new ATOM 0 HG2 LYS B 48 -9.448 6.659 -9.496 1.00 1.11 H new ATOM 0 HG3 LYS B 48 -9.432 8.056 -8.438 1.00 1.11 H new ATOM 0 HD2 LYS B 48 -7.180 8.044 -9.111 1.00 1.38 H new ATOM 0 HD3 LYS B 48 -7.061 7.069 -7.659 1.00 1.38 H new ATOM 0 HE2 LYS B 48 -5.927 5.723 -9.244 1.00 2.13 H new ATOM 0 HE3 LYS B 48 -7.533 5.020 -9.261 1.00 2.13 H new ATOM 0 HZ1 LYS B 48 -6.742 5.452 -11.509 1.00 2.73 H new ATOM 0 HZ2 LYS B 48 -8.095 6.421 -11.173 1.00 2.73 H new ATOM 0 HZ3 LYS B 48 -6.540 7.101 -11.157 1.00 2.73 H new ATOM 1804 N GLN B 49 -10.478 4.612 -5.467 1.00 0.33 N ATOM 1805 CA GLN B 49 -10.673 3.600 -4.390 1.00 0.30 C ATOM 1806 C GLN B 49 -10.887 4.351 -3.067 1.00 0.25 C ATOM 1807 O GLN B 49 -10.232 5.341 -2.797 1.00 0.26 O ATOM 1808 CB GLN B 49 -9.398 2.726 -4.319 1.00 0.35 C ATOM 1809 CG GLN B 49 -9.662 1.332 -4.907 1.00 0.82 C ATOM 1810 CD GLN B 49 -8.431 0.449 -4.696 1.00 0.89 C ATOM 1811 OE1 GLN B 49 -7.603 0.731 -3.852 1.00 1.53 O ATOM 1812 NE2 GLN B 49 -8.274 -0.617 -5.433 1.00 1.52 N ATOM 0 H GLN B 49 -9.716 5.268 -5.296 1.00 0.33 H new ATOM 0 HA GLN B 49 -11.535 2.962 -4.585 1.00 0.30 H new ATOM 0 HB2 GLN B 49 -8.589 3.210 -4.866 1.00 0.35 H new ATOM 0 HB3 GLN B 49 -9.072 2.633 -3.283 1.00 0.35 H new ATOM 0 HG2 GLN B 49 -10.532 0.882 -4.428 1.00 0.82 H new ATOM 0 HG3 GLN B 49 -9.888 1.411 -5.970 1.00 0.82 H new ATOM 0 HE21 GLN B 49 -8.969 -0.854 -6.141 1.00 1.52 H new ATOM 0 HE22 GLN B 49 -7.457 -1.213 -5.300 1.00 1.52 H new ATOM 1821 N VAL B 50 -11.804 3.896 -2.243 1.00 0.23 N ATOM 1822 CA VAL B 50 -12.062 4.590 -0.936 1.00 0.19 C ATOM 1823 C VAL B 50 -12.064 3.550 0.178 1.00 0.16 C ATOM 1824 O VAL B 50 -12.825 2.608 0.155 1.00 0.15 O ATOM 1825 CB VAL B 50 -13.431 5.299 -0.984 1.00 0.22 C ATOM 1826 CG1 VAL B 50 -13.464 6.428 0.058 1.00 0.24 C ATOM 1827 CG2 VAL B 50 -13.670 5.861 -2.394 1.00 0.31 C ATOM 0 H VAL B 50 -12.384 3.076 -2.418 1.00 0.23 H new ATOM 0 HA VAL B 50 -11.285 5.332 -0.752 1.00 0.19 H new ATOM 0 HB VAL B 50 -14.222 4.586 -0.752 1.00 0.22 H new ATOM 0 HG11 VAL B 50 -14.432 6.928 0.022 1.00 0.24 H new ATOM 0 HG12 VAL B 50 -13.308 6.010 1.052 1.00 0.24 H new ATOM 0 HG13 VAL B 50 -12.676 7.148 -0.161 1.00 0.24 H new ATOM 0 HG21 VAL B 50 -14.638 6.362 -2.427 1.00 0.31 H new ATOM 0 HG22 VAL B 50 -12.884 6.575 -2.639 1.00 0.31 H new ATOM 0 HG23 VAL B 50 -13.659 5.046 -3.117 1.00 0.31 H new ATOM 1837 N CYS B 51 -11.221 3.721 1.153 1.00 0.16 N ATOM 1838 CA CYS B 51 -11.164 2.740 2.269 1.00 0.15 C ATOM 1839 C CYS B 51 -12.401 2.902 3.150 1.00 0.14 C ATOM 1840 O CYS B 51 -12.970 3.971 3.248 1.00 0.16 O ATOM 1841 CB CYS B 51 -9.908 2.998 3.101 1.00 0.17 C ATOM 1842 SG CYS B 51 -8.440 2.604 2.117 1.00 0.21 S ATOM 0 H CYS B 51 -10.567 4.500 1.226 1.00 0.16 H new ATOM 0 HA CYS B 51 -11.135 1.727 1.867 1.00 0.15 H new ATOM 0 HB2 CYS B 51 -9.877 4.040 3.418 1.00 0.17 H new ATOM 0 HB3 CYS B 51 -9.927 2.390 4.005 1.00 0.17 H new ATOM 1847 N ALA B 52 -12.828 1.842 3.783 1.00 0.12 N ATOM 1848 CA ALA B 52 -14.041 1.921 4.654 1.00 0.13 C ATOM 1849 C ALA B 52 -13.849 1.027 5.882 1.00 0.15 C ATOM 1850 O ALA B 52 -13.392 -0.097 5.781 1.00 0.15 O ATOM 1851 CB ALA B 52 -15.260 1.440 3.864 1.00 0.11 C ATOM 0 H ALA B 52 -12.389 0.922 3.735 1.00 0.12 H new ATOM 0 HA ALA B 52 -14.193 2.951 4.975 1.00 0.13 H new ATOM 0 HB1 ALA B 52 -16.147 1.496 4.495 1.00 0.11 H new ATOM 0 HB2 ALA B 52 -15.398 2.072 2.987 1.00 0.11 H new ATOM 0 HB3 ALA B 52 -15.104 0.409 3.547 1.00 0.11 H new ATOM 1857 N ASP B 53 -14.196 1.520 7.040 1.00 0.18 N ATOM 1858 CA ASP B 53 -14.039 0.711 8.280 1.00 0.22 C ATOM 1859 C ASP B 53 -15.050 -0.461 8.260 1.00 0.21 C ATOM 1860 O ASP B 53 -16.239 -0.210 8.259 1.00 0.22 O ATOM 1861 CB ASP B 53 -14.340 1.601 9.490 1.00 0.27 C ATOM 1862 CG ASP B 53 -13.890 0.893 10.769 1.00 1.35 C ATOM 1863 OD1 ASP B 53 -13.826 -0.324 10.758 1.00 2.10 O ATOM 1864 OD2 ASP B 53 -13.619 1.582 11.739 1.00 2.17 O ATOM 0 H ASP B 53 -14.583 2.453 7.180 1.00 0.18 H new ATOM 0 HA ASP B 53 -13.023 0.320 8.339 1.00 0.22 H new ATOM 0 HB2 ASP B 53 -13.824 2.556 9.390 1.00 0.27 H new ATOM 0 HB3 ASP B 53 -15.407 1.819 9.538 1.00 0.27 H new ATOM 1869 N PRO B 54 -14.592 -1.708 8.245 1.00 0.22 N ATOM 1870 CA PRO B 54 -15.530 -2.852 8.226 1.00 0.24 C ATOM 1871 C PRO B 54 -16.416 -2.828 9.482 1.00 0.28 C ATOM 1872 O PRO B 54 -17.337 -3.609 9.618 1.00 0.30 O ATOM 1873 CB PRO B 54 -14.632 -4.110 8.207 1.00 0.27 C ATOM 1874 CG PRO B 54 -13.151 -3.634 8.199 1.00 0.27 C ATOM 1875 CD PRO B 54 -13.158 -2.089 8.244 1.00 0.24 C ATOM 0 HA PRO B 54 -16.201 -2.826 7.367 1.00 0.24 H new ATOM 0 HB2 PRO B 54 -14.829 -4.733 9.079 1.00 0.27 H new ATOM 0 HB3 PRO B 54 -14.843 -4.717 7.327 1.00 0.27 H new ATOM 0 HG2 PRO B 54 -12.613 -4.040 9.056 1.00 0.27 H new ATOM 0 HG3 PRO B 54 -12.639 -3.989 7.304 1.00 0.27 H new ATOM 0 HD2 PRO B 54 -12.651 -1.718 9.135 1.00 0.24 H new ATOM 0 HD3 PRO B 54 -12.639 -1.667 7.383 1.00 0.24 H new ATOM 1883 N SER B 55 -16.132 -1.950 10.401 1.00 0.31 N ATOM 1884 CA SER B 55 -16.942 -1.889 11.651 1.00 0.36 C ATOM 1885 C SER B 55 -18.278 -1.192 11.378 1.00 0.36 C ATOM 1886 O SER B 55 -19.218 -1.325 12.136 1.00 0.40 O ATOM 1887 CB SER B 55 -16.172 -1.109 12.717 1.00 0.40 C ATOM 1888 OG SER B 55 -17.043 -0.805 13.798 1.00 1.42 O ATOM 0 H SER B 55 -15.373 -1.271 10.342 1.00 0.31 H new ATOM 0 HA SER B 55 -17.134 -2.903 12.002 1.00 0.36 H new ATOM 0 HB2 SER B 55 -15.324 -1.695 13.072 1.00 0.40 H new ATOM 0 HB3 SER B 55 -15.768 -0.191 12.291 1.00 0.40 H new ATOM 0 HG SER B 55 -16.552 -0.306 14.484 1.00 1.42 H new ATOM 1894 N GLU B 56 -18.378 -0.454 10.305 1.00 0.33 N ATOM 1895 CA GLU B 56 -19.664 0.238 10.001 1.00 0.33 C ATOM 1896 C GLU B 56 -20.625 -0.753 9.337 1.00 0.33 C ATOM 1897 O GLU B 56 -20.357 -1.300 8.285 1.00 0.29 O ATOM 1898 CB GLU B 56 -19.402 1.422 9.065 1.00 0.31 C ATOM 1899 CG GLU B 56 -18.877 2.614 9.872 1.00 0.35 C ATOM 1900 CD GLU B 56 -18.396 3.706 8.915 1.00 1.30 C ATOM 1901 OE1 GLU B 56 -18.065 3.375 7.787 1.00 2.08 O ATOM 1902 OE2 GLU B 56 -18.366 4.854 9.325 1.00 2.01 O ATOM 0 H GLU B 56 -17.629 -0.301 9.629 1.00 0.33 H new ATOM 0 HA GLU B 56 -20.110 0.609 10.924 1.00 0.33 H new ATOM 0 HB2 GLU B 56 -18.677 1.140 8.301 1.00 0.31 H new ATOM 0 HB3 GLU B 56 -20.320 1.698 8.547 1.00 0.31 H new ATOM 0 HG2 GLU B 56 -19.663 3.003 10.519 1.00 0.35 H new ATOM 0 HG3 GLU B 56 -18.059 2.297 10.519 1.00 0.35 H new ATOM 1909 N SER B 57 -21.737 -0.994 9.968 1.00 0.37 N ATOM 1910 CA SER B 57 -22.735 -1.956 9.425 1.00 0.38 C ATOM 1911 C SER B 57 -23.049 -1.671 7.954 1.00 0.35 C ATOM 1912 O SER B 57 -23.231 -2.582 7.170 1.00 0.34 O ATOM 1913 CB SER B 57 -24.024 -1.855 10.241 1.00 0.44 C ATOM 1914 OG SER B 57 -23.740 -2.141 11.604 1.00 1.37 O ATOM 0 H SER B 57 -22.002 -0.558 10.852 1.00 0.37 H new ATOM 0 HA SER B 57 -22.313 -2.959 9.495 1.00 0.38 H new ATOM 0 HB2 SER B 57 -24.450 -0.856 10.148 1.00 0.44 H new ATOM 0 HB3 SER B 57 -24.767 -2.555 9.858 1.00 0.44 H new ATOM 0 HG SER B 57 -24.564 -2.075 12.131 1.00 1.37 H new ATOM 1920 N TRP B 58 -23.142 -0.429 7.563 1.00 0.34 N ATOM 1921 CA TRP B 58 -23.474 -0.145 6.139 1.00 0.32 C ATOM 1922 C TRP B 58 -22.389 -0.719 5.235 1.00 0.27 C ATOM 1923 O TRP B 58 -22.655 -1.149 4.133 1.00 0.27 O ATOM 1924 CB TRP B 58 -23.658 1.362 5.906 1.00 0.34 C ATOM 1925 CG TRP B 58 -22.346 2.082 5.828 1.00 0.31 C ATOM 1926 CD1 TRP B 58 -21.845 2.880 6.800 1.00 0.32 C ATOM 1927 CD2 TRP B 58 -21.382 2.121 4.731 1.00 0.27 C ATOM 1928 NE1 TRP B 58 -20.639 3.406 6.375 1.00 0.29 N ATOM 1929 CE2 TRP B 58 -20.304 2.966 5.113 1.00 0.26 C ATOM 1930 CE3 TRP B 58 -21.332 1.512 3.456 1.00 0.27 C ATOM 1931 CZ2 TRP B 58 -19.216 3.198 4.260 1.00 0.25 C ATOM 1932 CZ3 TRP B 58 -20.237 1.743 2.595 1.00 0.27 C ATOM 1933 CH2 TRP B 58 -19.181 2.584 2.998 1.00 0.26 C ATOM 0 H TRP B 58 -23.005 0.389 8.157 1.00 0.34 H new ATOM 0 HA TRP B 58 -24.421 -0.626 5.893 1.00 0.32 H new ATOM 0 HB2 TRP B 58 -24.214 1.521 4.982 1.00 0.34 H new ATOM 0 HB3 TRP B 58 -24.255 1.784 6.714 1.00 0.34 H new ATOM 0 HD1 TRP B 58 -22.312 3.075 7.754 1.00 0.32 H new ATOM 0 HE1 TRP B 58 -20.066 4.043 6.929 1.00 0.29 H new ATOM 0 HE3 TRP B 58 -22.137 0.866 3.138 1.00 0.27 H new ATOM 0 HZ2 TRP B 58 -18.410 3.845 4.572 1.00 0.25 H new ATOM 0 HZ3 TRP B 58 -20.209 1.273 1.623 1.00 0.27 H new ATOM 0 HH2 TRP B 58 -18.345 2.756 2.336 1.00 0.26 H new ATOM 1944 N VAL B 59 -21.175 -0.764 5.693 1.00 0.24 N ATOM 1945 CA VAL B 59 -20.102 -1.338 4.845 1.00 0.20 C ATOM 1946 C VAL B 59 -20.413 -2.810 4.615 1.00 0.22 C ATOM 1947 O VAL B 59 -20.339 -3.307 3.510 1.00 0.21 O ATOM 1948 CB VAL B 59 -18.759 -1.189 5.555 1.00 0.19 C ATOM 1949 CG1 VAL B 59 -17.651 -1.833 4.717 1.00 0.18 C ATOM 1950 CG2 VAL B 59 -18.472 0.300 5.739 1.00 0.19 C ATOM 0 H VAL B 59 -20.880 -0.431 6.611 1.00 0.24 H new ATOM 0 HA VAL B 59 -20.050 -0.817 3.889 1.00 0.20 H new ATOM 0 HB VAL B 59 -18.793 -1.685 6.525 1.00 0.19 H new ATOM 0 HG11 VAL B 59 -16.696 -1.723 5.230 1.00 0.18 H new ATOM 0 HG12 VAL B 59 -17.868 -2.892 4.579 1.00 0.18 H new ATOM 0 HG13 VAL B 59 -17.599 -1.343 3.745 1.00 0.18 H new ATOM 0 HG21 VAL B 59 -17.515 0.426 6.245 1.00 0.19 H new ATOM 0 HG22 VAL B 59 -18.434 0.786 4.764 1.00 0.19 H new ATOM 0 HG23 VAL B 59 -19.262 0.751 6.339 1.00 0.19 H new ATOM 1960 N GLN B 60 -20.789 -3.506 5.647 1.00 0.25 N ATOM 1961 CA GLN B 60 -21.134 -4.943 5.473 1.00 0.28 C ATOM 1962 C GLN B 60 -22.380 -5.050 4.588 1.00 0.30 C ATOM 1963 O GLN B 60 -22.516 -5.961 3.796 1.00 0.31 O ATOM 1964 CB GLN B 60 -21.416 -5.573 6.839 1.00 0.33 C ATOM 1965 CG GLN B 60 -21.555 -7.089 6.683 1.00 1.25 C ATOM 1966 CD GLN B 60 -21.877 -7.714 8.041 1.00 1.65 C ATOM 1967 OE1 GLN B 60 -20.986 -8.025 8.806 1.00 2.33 O ATOM 1968 NE2 GLN B 60 -23.123 -7.914 8.376 1.00 2.14 N ATOM 0 H GLN B 60 -20.873 -3.147 6.598 1.00 0.25 H new ATOM 0 HA GLN B 60 -20.302 -5.469 5.004 1.00 0.28 H new ATOM 0 HB2 GLN B 60 -20.608 -5.341 7.532 1.00 0.33 H new ATOM 0 HB3 GLN B 60 -22.329 -5.155 7.263 1.00 0.33 H new ATOM 0 HG2 GLN B 60 -22.344 -7.321 5.968 1.00 1.25 H new ATOM 0 HG3 GLN B 60 -20.631 -7.511 6.286 1.00 1.25 H new ATOM 0 HE21 GLN B 60 -23.872 -7.653 7.734 1.00 2.14 H new ATOM 0 HE22 GLN B 60 -23.348 -8.331 9.279 1.00 2.14 H new ATOM 1977 N GLU B 61 -23.290 -4.123 4.723 1.00 0.31 N ATOM 1978 CA GLU B 61 -24.533 -4.157 3.899 1.00 0.33 C ATOM 1979 C GLU B 61 -24.190 -3.942 2.422 1.00 0.31 C ATOM 1980 O GLU B 61 -24.575 -4.715 1.566 1.00 0.32 O ATOM 1981 CB GLU B 61 -25.484 -3.052 4.365 1.00 0.35 C ATOM 1982 CG GLU B 61 -26.849 -3.240 3.702 1.00 0.40 C ATOM 1983 CD GLU B 61 -27.809 -2.154 4.191 1.00 1.29 C ATOM 1984 OE1 GLU B 61 -27.750 -1.824 5.365 1.00 2.03 O ATOM 1985 OE2 GLU B 61 -28.587 -1.671 3.386 1.00 1.99 O ATOM 0 H GLU B 61 -23.225 -3.339 5.372 1.00 0.31 H new ATOM 0 HA GLU B 61 -25.012 -5.129 4.017 1.00 0.33 H new ATOM 0 HB2 GLU B 61 -25.588 -3.081 5.450 1.00 0.35 H new ATOM 0 HB3 GLU B 61 -25.075 -2.074 4.109 1.00 0.35 H new ATOM 0 HG2 GLU B 61 -26.748 -3.190 2.618 1.00 0.40 H new ATOM 0 HG3 GLU B 61 -27.248 -4.226 3.940 1.00 0.40 H new ATOM 1992 N TYR B 62 -23.472 -2.897 2.116 1.00 0.28 N ATOM 1993 CA TYR B 62 -23.111 -2.629 0.694 1.00 0.28 C ATOM 1994 C TYR B 62 -22.278 -3.793 0.147 1.00 0.28 C ATOM 1995 O TYR B 62 -22.401 -4.165 -1.004 1.00 0.30 O ATOM 1996 CB TYR B 62 -22.297 -1.327 0.601 1.00 0.25 C ATOM 1997 CG TYR B 62 -23.221 -0.120 0.602 1.00 0.27 C ATOM 1998 CD1 TYR B 62 -24.134 0.078 1.657 1.00 0.29 C ATOM 1999 CD2 TYR B 62 -23.158 0.812 -0.456 1.00 0.27 C ATOM 2000 CE1 TYR B 62 -24.982 1.204 1.654 1.00 0.32 C ATOM 2001 CE2 TYR B 62 -24.007 1.935 -0.458 1.00 0.29 C ATOM 2002 CZ TYR B 62 -24.918 2.132 0.596 1.00 0.31 C ATOM 2003 OH TYR B 62 -25.749 3.234 0.591 1.00 0.34 O ATOM 0 H TYR B 62 -23.119 -2.216 2.789 1.00 0.28 H new ATOM 0 HA TYR B 62 -24.023 -2.527 0.106 1.00 0.28 H new ATOM 0 HB2 TYR B 62 -21.605 -1.263 1.441 1.00 0.25 H new ATOM 0 HB3 TYR B 62 -21.696 -1.331 -0.308 1.00 0.25 H new ATOM 0 HD1 TYR B 62 -24.184 -0.633 2.468 1.00 0.29 H new ATOM 0 HD2 TYR B 62 -22.458 0.664 -1.265 1.00 0.27 H new ATOM 0 HE1 TYR B 62 -25.681 1.355 2.463 1.00 0.32 H new ATOM 0 HE2 TYR B 62 -23.959 2.646 -1.269 1.00 0.29 H new ATOM 0 HH TYR B 62 -25.574 3.772 -0.210 1.00 0.34 H new ATOM 2013 N VAL B 63 -21.440 -4.380 0.956 1.00 0.27 N ATOM 2014 CA VAL B 63 -20.622 -5.519 0.469 1.00 0.28 C ATOM 2015 C VAL B 63 -21.562 -6.671 0.144 1.00 0.32 C ATOM 2016 O VAL B 63 -21.399 -7.371 -0.833 1.00 0.34 O ATOM 2017 CB VAL B 63 -19.632 -5.943 1.558 1.00 0.28 C ATOM 2018 CG1 VAL B 63 -18.980 -7.278 1.183 1.00 0.32 C ATOM 2019 CG2 VAL B 63 -18.546 -4.872 1.701 1.00 0.25 C ATOM 0 H VAL B 63 -21.288 -4.119 1.930 1.00 0.27 H new ATOM 0 HA VAL B 63 -20.060 -5.232 -0.420 1.00 0.28 H new ATOM 0 HB VAL B 63 -20.166 -6.058 2.501 1.00 0.28 H new ATOM 0 HG11 VAL B 63 -18.278 -7.572 1.963 1.00 0.32 H new ATOM 0 HG12 VAL B 63 -19.750 -8.043 1.081 1.00 0.32 H new ATOM 0 HG13 VAL B 63 -18.448 -7.170 0.238 1.00 0.32 H new ATOM 0 HG21 VAL B 63 -17.840 -5.171 2.476 1.00 0.25 H new ATOM 0 HG22 VAL B 63 -18.019 -4.759 0.753 1.00 0.25 H new ATOM 0 HG23 VAL B 63 -19.005 -3.922 1.976 1.00 0.25 H new ATOM 2029 N TYR B 64 -22.552 -6.863 0.965 1.00 0.34 N ATOM 2030 CA TYR B 64 -23.516 -7.962 0.720 1.00 0.38 C ATOM 2031 C TYR B 64 -24.238 -7.708 -0.600 1.00 0.39 C ATOM 2032 O TYR B 64 -24.441 -8.600 -1.396 1.00 0.41 O ATOM 2033 CB TYR B 64 -24.534 -8.000 1.865 1.00 0.41 C ATOM 2034 CG TYR B 64 -25.228 -9.344 1.889 1.00 0.46 C ATOM 2035 CD1 TYR B 64 -24.547 -10.480 2.367 1.00 0.48 C ATOM 2036 CD2 TYR B 64 -26.556 -9.461 1.434 1.00 0.49 C ATOM 2037 CE1 TYR B 64 -25.192 -11.731 2.390 1.00 0.52 C ATOM 2038 CE2 TYR B 64 -27.202 -10.712 1.457 1.00 0.54 C ATOM 2039 CZ TYR B 64 -26.519 -11.847 1.935 1.00 0.55 C ATOM 2040 OH TYR B 64 -27.153 -13.074 1.959 1.00 0.60 O ATOM 0 H TYR B 64 -22.734 -6.303 1.798 1.00 0.34 H new ATOM 0 HA TYR B 64 -22.990 -8.915 0.669 1.00 0.38 H new ATOM 0 HB2 TYR B 64 -24.032 -7.823 2.816 1.00 0.41 H new ATOM 0 HB3 TYR B 64 -25.268 -7.204 1.738 1.00 0.41 H new ATOM 0 HD1 TYR B 64 -23.529 -10.391 2.716 1.00 0.48 H new ATOM 0 HD2 TYR B 64 -27.079 -8.590 1.067 1.00 0.49 H new ATOM 0 HE1 TYR B 64 -24.669 -12.602 2.757 1.00 0.52 H new ATOM 0 HE2 TYR B 64 -28.220 -10.801 1.108 1.00 0.54 H new ATOM 0 HH TYR B 64 -28.064 -12.978 1.612 1.00 0.60 H new ATOM 2050 N ASP B 65 -24.626 -6.488 -0.828 1.00 0.36 N ATOM 2051 CA ASP B 65 -25.343 -6.149 -2.089 1.00 0.37 C ATOM 2052 C ASP B 65 -24.439 -6.433 -3.291 1.00 0.37 C ATOM 2053 O ASP B 65 -24.893 -6.852 -4.338 1.00 0.40 O ATOM 2054 CB ASP B 65 -25.716 -4.662 -2.066 1.00 0.35 C ATOM 2055 CG ASP B 65 -26.946 -4.451 -1.179 1.00 0.39 C ATOM 2056 OD1 ASP B 65 -26.960 -4.988 -0.083 1.00 1.11 O ATOM 2057 OD2 ASP B 65 -27.851 -3.758 -1.611 1.00 1.15 O ATOM 0 H ASP B 65 -24.477 -5.704 -0.192 1.00 0.36 H new ATOM 0 HA ASP B 65 -26.245 -6.755 -2.172 1.00 0.37 H new ATOM 0 HB2 ASP B 65 -24.879 -4.073 -1.690 1.00 0.35 H new ATOM 0 HB3 ASP B 65 -25.922 -4.313 -3.078 1.00 0.35 H new ATOM 2062 N LEU B 66 -23.165 -6.207 -3.149 1.00 0.33 N ATOM 2063 CA LEU B 66 -22.228 -6.460 -4.279 1.00 0.34 C ATOM 2064 C LEU B 66 -22.075 -7.970 -4.484 1.00 0.39 C ATOM 2065 O LEU B 66 -21.857 -8.439 -5.584 1.00 0.42 O ATOM 2066 CB LEU B 66 -20.868 -5.834 -3.943 1.00 0.31 C ATOM 2067 CG LEU B 66 -20.890 -4.318 -4.235 1.00 0.28 C ATOM 2068 CD1 LEU B 66 -19.795 -3.620 -3.426 1.00 0.24 C ATOM 2069 CD2 LEU B 66 -20.633 -4.057 -5.730 1.00 0.30 C ATOM 0 H LEU B 66 -22.729 -5.857 -2.296 1.00 0.33 H new ATOM 0 HA LEU B 66 -22.616 -6.016 -5.196 1.00 0.34 H new ATOM 0 HB2 LEU B 66 -20.630 -6.006 -2.893 1.00 0.31 H new ATOM 0 HB3 LEU B 66 -20.084 -6.313 -4.530 1.00 0.31 H new ATOM 0 HG LEU B 66 -21.870 -3.929 -3.958 1.00 0.28 H new ATOM 0 HD11 LEU B 66 -19.814 -2.550 -3.635 1.00 0.24 H new ATOM 0 HD12 LEU B 66 -19.967 -3.785 -2.362 1.00 0.24 H new ATOM 0 HD13 LEU B 66 -18.822 -4.027 -3.703 1.00 0.24 H new ATOM 0 HD21 LEU B 66 -20.652 -2.984 -5.920 1.00 0.30 H new ATOM 0 HD22 LEU B 66 -19.658 -4.458 -6.007 1.00 0.30 H new ATOM 0 HD23 LEU B 66 -21.407 -4.544 -6.323 1.00 0.30 H new ATOM 2081 N GLU B 67 -22.196 -8.734 -3.437 1.00 0.40 N ATOM 2082 CA GLU B 67 -22.066 -10.213 -3.571 1.00 0.45 C ATOM 2083 C GLU B 67 -23.315 -10.763 -4.256 1.00 0.50 C ATOM 2084 O GLU B 67 -23.282 -11.787 -4.909 1.00 0.55 O ATOM 2085 CB GLU B 67 -21.935 -10.841 -2.184 1.00 0.46 C ATOM 2086 CG GLU B 67 -20.569 -10.493 -1.605 1.00 0.44 C ATOM 2087 CD GLU B 67 -20.398 -11.174 -0.246 1.00 1.13 C ATOM 2088 OE1 GLU B 67 -21.399 -11.583 0.320 1.00 1.88 O ATOM 2089 OE2 GLU B 67 -19.269 -11.275 0.206 1.00 1.81 O ATOM 0 H GLU B 67 -22.380 -8.399 -2.491 1.00 0.40 H new ATOM 0 HA GLU B 67 -21.182 -10.451 -4.163 1.00 0.45 H new ATOM 0 HB2 GLU B 67 -22.725 -10.474 -1.529 1.00 0.46 H new ATOM 0 HB3 GLU B 67 -22.051 -11.923 -2.249 1.00 0.46 H new ATOM 0 HG2 GLU B 67 -19.781 -10.815 -2.286 1.00 0.44 H new ATOM 0 HG3 GLU B 67 -20.474 -9.413 -1.496 1.00 0.44 H new