USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 44 THR OG1 : rot 148:sc= 0.989 USER MOD Set 1.2: B 47 SER OG : rot -76:sc= 0.512! USER MOD Set 2.1: A 44 THR OG1 : rot -103:sc= 0.236! USER MOD Set 2.2: A 47 SER OG : rot 160:sc= 0.945! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.55 USER MOD Single : A 14 SER OG : rot -82:sc= 1.19 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.574 USER MOD Single : A 19 LYS NZ :NH3+ -102:sc= -2.83! (180deg=-5.45!) USER MOD Single : A 23 ASN : amide:sc= -0.702 X(o=-0.7,f=-0.73) 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 21:sc= -1.47 USER MOD Single : A 32 SER OG : rot 180:sc= 0.376 USER MOD Single : A 33 SER OG : rot 180:sc= -0.138 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.629 K(o=-0.63,f=-0.0012) USER MOD Single : A 43 GLN : amide:sc= -8.17! K(o=-8.2!,f=-2.2) USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= -1.16 (180deg=-2.72!) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -0.168 (180deg=-0.684) USER MOD Single : A 49 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.6) USER MOD Single : A 55 SER OG : rot 89:sc= 1.05 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 62 TYR OH : rot 180:sc=-0.000705 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 172:sc= -0.561 USER MOD Single : B 14 SER OG : rot -77:sc= 1.21 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.293! USER MOD Single : B 19 LYS NZ :NH3+ -103:sc= -2.77! (180deg=-5.45!) USER MOD Single : B 23 ASN : amide:sc= -0.668 X(o=-0.67,f=-0.69) 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 27:sc= -1.29 USER MOD Single : B 32 SER OG : rot 180:sc= 0.478 USER MOD Single : B 33 SER OG : rot 180:sc= -0.136 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= -0.588 K(o=-0.59,f=0) USER MOD Single : B 43 GLN : amide:sc= -7.99! K(o=-8!,f=-2.2) USER MOD Single : B 45 LYS NZ :NH3+ -146:sc= -1.2 (180deg=-2.84!) USER MOD Single : B 48 LYS NZ :NH3+ 163:sc= -0.166 (180deg=-0.942) USER MOD Single : B 49 GLN : amide:sc= -1.01 K(o=-1,f=-1.5) USER MOD Single : B 55 SER OG : rot 81:sc= 1.06 USER MOD Single : B 57 SER OG : rot 180:sc= -0.0307 USER MOD Single : B 60 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : B 62 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -11.029 9.593 -4.088 1.00 0.44 N ATOM 52 CA SER A 5 -11.591 9.995 -2.764 1.00 0.30 C ATOM 53 C SER A 5 -10.579 9.671 -1.651 1.00 0.27 C ATOM 54 O SER A 5 -10.012 10.555 -1.040 1.00 0.30 O ATOM 55 CB SER A 5 -12.921 9.257 -2.532 1.00 0.49 C ATOM 56 OG SER A 5 -13.954 10.214 -2.342 1.00 1.52 O ATOM 0 HA SER A 5 -11.781 11.068 -2.750 1.00 0.30 H new ATOM 0 HB2 SER A 5 -13.151 8.619 -3.385 1.00 0.49 H new ATOM 0 HB3 SER A 5 -12.844 8.608 -1.660 1.00 0.49 H new ATOM 0 HG SER A 5 -14.805 9.752 -2.195 1.00 1.52 H new ATOM 62 N ASP A 6 -10.351 8.410 -1.384 1.00 0.24 N ATOM 63 CA ASP A 6 -9.378 8.034 -0.310 1.00 0.23 C ATOM 64 C ASP A 6 -8.868 6.606 -0.554 1.00 0.21 C ATOM 65 O ASP A 6 -9.218 5.702 0.179 1.00 0.20 O ATOM 66 CB ASP A 6 -10.069 8.089 1.058 1.00 0.25 C ATOM 67 CG ASP A 6 -10.844 9.401 1.193 1.00 1.26 C ATOM 68 OD1 ASP A 6 -10.249 10.378 1.616 1.00 2.03 O ATOM 69 OD2 ASP A 6 -12.021 9.406 0.870 1.00 2.00 O ATOM 0 H ASP A 6 -10.795 7.625 -1.861 1.00 0.24 H new ATOM 0 HA ASP A 6 -8.542 8.733 -0.327 1.00 0.23 H new ATOM 0 HB2 ASP A 6 -10.747 7.242 1.168 1.00 0.25 H new ATOM 0 HB3 ASP A 6 -9.328 8.010 1.854 1.00 0.25 H new ATOM 74 N PRO A 7 -8.062 6.432 -1.580 1.00 0.22 N ATOM 75 CA PRO A 7 -7.519 5.101 -1.917 1.00 0.22 C ATOM 76 C PRO A 7 -6.577 4.614 -0.791 1.00 0.20 C ATOM 77 O PRO A 7 -6.212 5.388 0.071 1.00 0.20 O ATOM 78 CB PRO A 7 -6.754 5.313 -3.247 1.00 0.25 C ATOM 79 CG PRO A 7 -6.839 6.828 -3.602 1.00 0.27 C ATOM 80 CD PRO A 7 -7.639 7.525 -2.479 1.00 0.26 C ATOM 0 HA PRO A 7 -8.292 4.340 -2.020 1.00 0.22 H new ATOM 0 HB2 PRO A 7 -5.715 5.001 -3.145 1.00 0.25 H new ATOM 0 HB3 PRO A 7 -7.192 4.708 -4.041 1.00 0.25 H new ATOM 0 HG2 PRO A 7 -5.841 7.259 -3.686 1.00 0.27 H new ATOM 0 HG3 PRO A 7 -7.329 6.969 -4.566 1.00 0.27 H new ATOM 0 HD2 PRO A 7 -7.025 8.255 -1.952 1.00 0.26 H new ATOM 0 HD3 PRO A 7 -8.499 8.061 -2.881 1.00 0.26 H new ATOM 88 N PRO A 8 -6.205 3.348 -0.833 1.00 0.21 N ATOM 89 CA PRO A 8 -5.301 2.768 0.185 1.00 0.22 C ATOM 90 C PRO A 8 -3.934 3.470 0.140 1.00 0.22 C ATOM 91 O PRO A 8 -3.806 4.573 -0.352 1.00 0.22 O ATOM 92 CB PRO A 8 -5.176 1.273 -0.203 1.00 0.24 C ATOM 93 CG PRO A 8 -5.894 1.088 -1.570 1.00 0.26 C ATOM 94 CD PRO A 8 -6.648 2.399 -1.878 1.00 0.24 C ATOM 0 HA PRO A 8 -5.678 2.890 1.201 1.00 0.22 H new ATOM 0 HB2 PRO A 8 -4.128 0.982 -0.277 1.00 0.24 H new ATOM 0 HB3 PRO A 8 -5.630 0.639 0.559 1.00 0.24 H new ATOM 0 HG2 PRO A 8 -5.172 0.867 -2.356 1.00 0.26 H new ATOM 0 HG3 PRO A 8 -6.587 0.248 -1.529 1.00 0.26 H new ATOM 0 HD2 PRO A 8 -6.407 2.768 -2.875 1.00 0.24 H new ATOM 0 HD3 PRO A 8 -7.727 2.251 -1.845 1.00 0.24 H new ATOM 102 N THR A 9 -2.913 2.831 0.654 1.00 0.23 N ATOM 103 CA THR A 9 -1.556 3.451 0.645 1.00 0.24 C ATOM 104 C THR A 9 -0.491 2.354 0.677 1.00 0.24 C ATOM 105 O THR A 9 -0.507 1.479 1.519 1.00 0.25 O ATOM 106 CB THR A 9 -1.398 4.345 1.878 1.00 0.25 C ATOM 107 OG1 THR A 9 -2.567 5.138 2.037 1.00 0.26 O ATOM 108 CG2 THR A 9 -0.179 5.256 1.707 1.00 0.29 C ATOM 0 H THR A 9 -2.962 1.905 1.080 1.00 0.23 H new ATOM 0 HA THR A 9 -1.437 4.048 -0.259 1.00 0.24 H new ATOM 0 HB THR A 9 -1.256 3.721 2.761 1.00 0.25 H new ATOM 0 HG1 THR A 9 -2.543 5.584 2.909 1.00 0.26 H new ATOM 0 HG21 THR A 9 -0.072 5.890 2.587 1.00 0.29 H new ATOM 0 HG22 THR A 9 0.717 4.647 1.587 1.00 0.29 H new ATOM 0 HG23 THR A 9 -0.313 5.881 0.824 1.00 0.29 H new ATOM 116 N ALA A 10 0.436 2.401 -0.237 1.00 0.23 N ATOM 117 CA ALA A 10 1.508 1.370 -0.270 1.00 0.23 C ATOM 118 C ALA A 10 2.429 1.545 0.937 1.00 0.22 C ATOM 119 O ALA A 10 3.486 2.135 0.839 1.00 0.27 O ATOM 120 CB ALA A 10 2.320 1.535 -1.553 1.00 0.23 C ATOM 0 H ALA A 10 0.497 3.112 -0.966 1.00 0.23 H new ATOM 0 HA ALA A 10 1.059 0.377 -0.240 1.00 0.23 H new ATOM 0 HB1 ALA A 10 3.108 0.782 -1.584 1.00 0.23 H new ATOM 0 HB2 ALA A 10 1.666 1.411 -2.416 1.00 0.23 H new ATOM 0 HB3 ALA A 10 2.767 2.529 -1.576 1.00 0.23 H new ATOM 126 N CYS A 11 2.039 1.026 2.073 1.00 0.25 N ATOM 127 CA CYS A 11 2.888 1.142 3.300 1.00 0.25 C ATOM 128 C CYS A 11 3.474 -0.235 3.621 1.00 0.25 C ATOM 129 O CYS A 11 2.794 -1.240 3.545 1.00 0.26 O ATOM 130 CB CYS A 11 2.026 1.620 4.474 1.00 0.25 C ATOM 131 SG CYS A 11 1.165 3.146 4.011 1.00 0.33 S ATOM 0 H CYS A 11 1.162 0.523 2.205 1.00 0.25 H new ATOM 0 HA CYS A 11 3.692 1.858 3.132 1.00 0.25 H new ATOM 0 HB2 CYS A 11 1.303 0.850 4.745 1.00 0.25 H new ATOM 0 HB3 CYS A 11 2.651 1.794 5.350 1.00 0.25 H new ATOM 136 N CYS A 12 4.730 -0.293 3.967 1.00 0.24 N ATOM 137 CA CYS A 12 5.353 -1.610 4.278 1.00 0.24 C ATOM 138 C CYS A 12 4.835 -2.115 5.625 1.00 0.24 C ATOM 139 O CYS A 12 4.594 -1.349 6.537 1.00 0.27 O ATOM 140 CB CYS A 12 6.876 -1.456 4.343 1.00 0.24 C ATOM 141 SG CYS A 12 7.508 -0.995 2.711 1.00 0.24 S ATOM 0 H CYS A 12 5.351 0.512 4.048 1.00 0.24 H new ATOM 0 HA CYS A 12 5.094 -2.325 3.497 1.00 0.24 H new ATOM 0 HB2 CYS A 12 7.144 -0.695 5.076 1.00 0.24 H new ATOM 0 HB3 CYS A 12 7.333 -2.390 4.671 1.00 0.24 H new ATOM 146 N PHE A 13 4.670 -3.407 5.759 1.00 0.25 N ATOM 147 CA PHE A 13 4.174 -3.985 7.046 1.00 0.27 C ATOM 148 C PHE A 13 5.356 -4.590 7.803 1.00 0.24 C ATOM 149 O PHE A 13 5.301 -4.809 8.997 1.00 0.26 O ATOM 150 CB PHE A 13 3.154 -5.085 6.747 1.00 0.30 C ATOM 151 CG PHE A 13 3.834 -6.198 5.989 1.00 0.31 C ATOM 152 CD1 PHE A 13 4.075 -6.063 4.609 1.00 0.31 C ATOM 153 CD2 PHE A 13 4.234 -7.369 6.662 1.00 0.35 C ATOM 154 CE1 PHE A 13 4.713 -7.097 3.902 1.00 0.34 C ATOM 155 CE2 PHE A 13 4.873 -8.403 5.956 1.00 0.37 C ATOM 156 CZ PHE A 13 5.112 -8.269 4.575 1.00 0.37 C ATOM 0 H PHE A 13 4.859 -4.091 5.027 1.00 0.25 H new ATOM 0 HA PHE A 13 3.705 -3.205 7.646 1.00 0.27 H new ATOM 0 HB2 PHE A 13 2.730 -5.467 7.676 1.00 0.30 H new ATOM 0 HB3 PHE A 13 2.327 -4.682 6.162 1.00 0.30 H new ATOM 0 HD1 PHE A 13 3.770 -5.165 4.093 1.00 0.31 H new ATOM 0 HD2 PHE A 13 4.050 -7.472 7.721 1.00 0.35 H new ATOM 0 HE1 PHE A 13 4.897 -6.993 2.843 1.00 0.34 H new ATOM 0 HE2 PHE A 13 5.181 -9.300 6.473 1.00 0.37 H new ATOM 0 HZ PHE A 13 5.601 -9.064 4.032 1.00 0.37 H new ATOM 166 N SER A 14 6.426 -4.860 7.108 1.00 0.21 N ATOM 167 CA SER A 14 7.624 -5.450 7.766 1.00 0.20 C ATOM 168 C SER A 14 8.860 -5.126 6.925 1.00 0.18 C ATOM 169 O SER A 14 8.926 -4.098 6.279 1.00 0.17 O ATOM 170 CB SER A 14 7.455 -6.967 7.866 1.00 0.20 C ATOM 171 OG SER A 14 7.404 -7.522 6.558 1.00 0.25 O ATOM 0 H SER A 14 6.522 -4.696 6.106 1.00 0.21 H new ATOM 0 HA SER A 14 7.740 -5.035 8.767 1.00 0.20 H new ATOM 0 HB2 SER A 14 8.284 -7.401 8.425 1.00 0.20 H new ATOM 0 HB3 SER A 14 6.542 -7.208 8.411 1.00 0.20 H new ATOM 0 HG SER A 14 6.496 -7.432 6.200 1.00 0.25 H new ATOM 177 N TYR A 15 9.841 -5.988 6.923 1.00 0.19 N ATOM 178 CA TYR A 15 11.070 -5.717 6.119 1.00 0.20 C ATOM 179 C TYR A 15 11.745 -7.042 5.761 1.00 0.24 C ATOM 180 O TYR A 15 11.510 -8.056 6.387 1.00 0.29 O ATOM 181 CB TYR A 15 12.042 -4.859 6.941 1.00 0.22 C ATOM 182 CG TYR A 15 11.277 -3.795 7.689 1.00 0.21 C ATOM 183 CD1 TYR A 15 10.931 -2.592 7.046 1.00 0.21 C ATOM 184 CD2 TYR A 15 10.909 -4.007 9.032 1.00 0.25 C ATOM 185 CE1 TYR A 15 10.216 -1.601 7.745 1.00 0.23 C ATOM 186 CE2 TYR A 15 10.196 -3.015 9.732 1.00 0.28 C ATOM 187 CZ TYR A 15 9.849 -1.811 9.087 1.00 0.27 C ATOM 188 OH TYR A 15 9.150 -0.838 9.773 1.00 0.32 O ATOM 0 H TYR A 15 9.846 -6.866 7.442 1.00 0.19 H new ATOM 0 HA TYR A 15 10.797 -5.186 5.207 1.00 0.20 H new ATOM 0 HB2 TYR A 15 12.591 -5.487 7.643 1.00 0.22 H new ATOM 0 HB3 TYR A 15 12.778 -4.396 6.284 1.00 0.22 H new ATOM 0 HD1 TYR A 15 11.214 -2.429 6.017 1.00 0.21 H new ATOM 0 HD2 TYR A 15 11.174 -4.931 9.525 1.00 0.25 H new ATOM 0 HE1 TYR A 15 9.949 -0.679 7.251 1.00 0.23 H new ATOM 0 HE2 TYR A 15 9.915 -3.177 10.762 1.00 0.28 H new ATOM 0 HH TYR A 15 8.976 -1.144 10.688 1.00 0.32 H new ATOM 198 N THR A 16 12.590 -7.039 4.765 1.00 0.22 N ATOM 199 CA THR A 16 13.283 -8.301 4.387 1.00 0.28 C ATOM 200 C THR A 16 14.095 -8.793 5.590 1.00 0.32 C ATOM 201 O THR A 16 13.805 -8.451 6.719 1.00 0.38 O ATOM 202 CB THR A 16 14.196 -8.050 3.177 1.00 0.28 C ATOM 203 OG1 THR A 16 14.910 -9.236 2.863 1.00 0.39 O ATOM 204 CG2 THR A 16 15.184 -6.923 3.484 1.00 0.27 C ATOM 0 H THR A 16 12.828 -6.223 4.201 1.00 0.22 H new ATOM 0 HA THR A 16 12.555 -9.064 4.109 1.00 0.28 H new ATOM 0 HB THR A 16 13.581 -7.759 2.326 1.00 0.28 H new ATOM 0 HG1 THR A 16 15.490 -9.074 2.090 1.00 0.39 H new ATOM 0 HG21 THR A 16 15.825 -6.755 2.619 1.00 0.27 H new ATOM 0 HG22 THR A 16 14.635 -6.009 3.711 1.00 0.27 H new ATOM 0 HG23 THR A 16 15.797 -7.200 4.341 1.00 0.27 H new ATOM 212 N ALA A 17 15.104 -9.592 5.371 1.00 0.36 N ATOM 213 CA ALA A 17 15.918 -10.101 6.517 1.00 0.42 C ATOM 214 C ALA A 17 17.377 -10.225 6.087 1.00 0.45 C ATOM 215 O ALA A 17 18.185 -10.826 6.766 1.00 0.63 O ATOM 216 CB ALA A 17 15.396 -11.476 6.934 1.00 0.50 C ATOM 0 H ALA A 17 15.401 -9.915 4.450 1.00 0.36 H new ATOM 0 HA ALA A 17 15.842 -9.409 7.356 1.00 0.42 H new ATOM 0 HB1 ALA A 17 15.987 -11.851 7.770 1.00 0.50 H new ATOM 0 HB2 ALA A 17 14.352 -11.393 7.236 1.00 0.50 H new ATOM 0 HB3 ALA A 17 15.477 -12.166 6.094 1.00 0.50 H new ATOM 222 N ARG A 18 17.720 -9.663 4.959 1.00 0.47 N ATOM 223 CA ARG A 18 19.128 -9.748 4.472 1.00 0.48 C ATOM 224 C ARG A 18 19.508 -8.443 3.771 1.00 0.41 C ATOM 225 O ARG A 18 18.803 -7.965 2.905 1.00 0.37 O ATOM 226 CB ARG A 18 19.245 -10.909 3.484 1.00 0.53 C ATOM 227 CG ARG A 18 18.769 -12.203 4.154 1.00 0.70 C ATOM 228 CD ARG A 18 19.284 -13.415 3.377 1.00 1.15 C ATOM 229 NE ARG A 18 19.148 -13.176 1.902 1.00 1.96 N ATOM 230 CZ ARG A 18 17.996 -12.880 1.359 1.00 2.64 C ATOM 231 NH1 ARG A 18 16.896 -12.958 2.056 1.00 2.84 N ATOM 232 NH2 ARG A 18 17.938 -12.558 0.095 1.00 3.63 N ATOM 0 H ARG A 18 17.084 -9.147 4.352 1.00 0.47 H new ATOM 0 HA ARG A 18 19.799 -9.912 5.316 1.00 0.48 H new ATOM 0 HB2 ARG A 18 18.647 -10.706 2.596 1.00 0.53 H new ATOM 0 HB3 ARG A 18 20.278 -11.017 3.154 1.00 0.53 H new ATOM 0 HG2 ARG A 18 19.126 -12.242 5.183 1.00 0.70 H new ATOM 0 HG3 ARG A 18 17.680 -12.222 4.194 1.00 0.70 H new ATOM 0 HD2 ARG A 18 20.328 -13.601 3.629 1.00 1.15 H new ATOM 0 HD3 ARG A 18 18.723 -14.305 3.663 1.00 1.15 H new ATOM 0 HE ARG A 18 19.974 -13.246 1.308 1.00 1.96 H new ATOM 0 HH11 ARG A 18 16.931 -13.252 3.032 1.00 2.84 H new ATOM 0 HH12 ARG A 18 16.001 -12.725 1.625 1.00 2.84 H new ATOM 0 HH21 ARG A 18 18.790 -12.538 -0.466 1.00 3.63 H new ATOM 0 HH22 ARG A 18 17.041 -12.327 -0.332 1.00 3.63 H new ATOM 246 N LYS A 19 20.623 -7.870 4.129 1.00 0.40 N ATOM 247 CA LYS A 19 21.053 -6.605 3.472 1.00 0.35 C ATOM 248 C LYS A 19 21.274 -6.888 1.984 1.00 0.31 C ATOM 249 O LYS A 19 21.966 -7.817 1.615 1.00 0.33 O ATOM 250 CB LYS A 19 22.357 -6.116 4.133 1.00 0.38 C ATOM 251 CG LYS A 19 22.950 -4.903 3.387 1.00 0.40 C ATOM 252 CD LYS A 19 24.407 -4.686 3.814 1.00 0.62 C ATOM 253 CE LYS A 19 24.524 -4.689 5.343 1.00 0.97 C ATOM 254 NZ LYS A 19 24.562 -6.093 5.837 1.00 1.79 N ATOM 0 H LYS A 19 21.255 -8.223 4.848 1.00 0.40 H new ATOM 0 HA LYS A 19 20.295 -5.830 3.582 1.00 0.35 H new ATOM 0 HB2 LYS A 19 22.161 -5.846 5.171 1.00 0.38 H new ATOM 0 HB3 LYS A 19 23.085 -6.927 4.147 1.00 0.38 H new ATOM 0 HG2 LYS A 19 22.898 -5.067 2.311 1.00 0.40 H new ATOM 0 HG3 LYS A 19 22.362 -4.010 3.602 1.00 0.40 H new ATOM 0 HD2 LYS A 19 25.036 -5.471 3.394 1.00 0.62 H new ATOM 0 HD3 LYS A 19 24.771 -3.738 3.417 1.00 0.62 H new ATOM 0 HE2 LYS A 19 25.426 -4.160 5.650 1.00 0.97 H new ATOM 0 HE3 LYS A 19 23.679 -4.160 5.784 1.00 0.97 H new ATOM 0 HZ1 LYS A 19 23.629 -6.353 6.217 1.00 1.79 H new ATOM 0 HZ2 LYS A 19 24.806 -6.731 5.052 1.00 1.79 H new ATOM 0 HZ3 LYS A 19 25.277 -6.178 6.587 1.00 1.79 H new ATOM 268 N LEU A 20 20.690 -6.096 1.128 1.00 0.27 N ATOM 269 CA LEU A 20 20.864 -6.322 -0.333 1.00 0.27 C ATOM 270 C LEU A 20 22.283 -5.875 -0.755 1.00 0.27 C ATOM 271 O LEU A 20 22.641 -4.742 -0.503 1.00 0.27 O ATOM 272 CB LEU A 20 19.845 -5.475 -1.098 1.00 0.24 C ATOM 273 CG LEU A 20 18.457 -5.621 -0.472 1.00 0.23 C ATOM 274 CD1 LEU A 20 17.431 -4.941 -1.378 1.00 0.22 C ATOM 275 CD2 LEU A 20 18.100 -7.105 -0.327 1.00 0.27 C ATOM 0 H LEU A 20 20.100 -5.302 1.378 1.00 0.27 H new ATOM 0 HA LEU A 20 20.721 -7.380 -0.555 1.00 0.27 H new ATOM 0 HB2 LEU A 20 20.149 -4.428 -1.085 1.00 0.24 H new ATOM 0 HB3 LEU A 20 19.815 -5.785 -2.142 1.00 0.24 H new ATOM 0 HG LEU A 20 18.453 -5.156 0.514 1.00 0.23 H new ATOM 0 HD11 LEU A 20 16.437 -5.039 -0.941 1.00 0.22 H new ATOM 0 HD12 LEU A 20 17.679 -3.885 -1.480 1.00 0.22 H new ATOM 0 HD13 LEU A 20 17.443 -5.413 -2.360 1.00 0.22 H new ATOM 0 HD21 LEU A 20 17.110 -7.199 0.120 1.00 0.27 H new ATOM 0 HD22 LEU A 20 18.101 -7.577 -1.309 1.00 0.27 H new ATOM 0 HD23 LEU A 20 18.834 -7.595 0.312 1.00 0.27 H new ATOM 287 N PRO A 21 23.061 -6.734 -1.399 1.00 0.31 N ATOM 288 CA PRO A 21 24.411 -6.334 -1.837 1.00 0.34 C ATOM 289 C PRO A 21 24.317 -5.083 -2.713 1.00 0.30 C ATOM 290 O PRO A 21 23.395 -4.931 -3.488 1.00 0.29 O ATOM 291 CB PRO A 21 24.944 -7.535 -2.650 1.00 0.39 C ATOM 292 CG PRO A 21 23.925 -8.697 -2.480 1.00 0.42 C ATOM 293 CD PRO A 21 22.695 -8.131 -1.737 1.00 0.35 C ATOM 0 HA PRO A 21 25.069 -6.093 -1.002 1.00 0.34 H new ATOM 0 HB2 PRO A 21 25.052 -7.270 -3.702 1.00 0.39 H new ATOM 0 HB3 PRO A 21 25.930 -7.833 -2.293 1.00 0.39 H new ATOM 0 HG2 PRO A 21 23.635 -9.098 -3.451 1.00 0.42 H new ATOM 0 HG3 PRO A 21 24.369 -9.517 -1.916 1.00 0.42 H new ATOM 0 HD2 PRO A 21 21.804 -8.165 -2.365 1.00 0.35 H new ATOM 0 HD3 PRO A 21 22.475 -8.710 -0.840 1.00 0.35 H new ATOM 301 N ARG A 22 25.270 -4.199 -2.619 1.00 0.31 N ATOM 302 CA ARG A 22 25.229 -2.984 -3.478 1.00 0.30 C ATOM 303 C ARG A 22 25.004 -3.426 -4.925 1.00 0.31 C ATOM 304 O ARG A 22 24.342 -2.764 -5.699 1.00 0.31 O ATOM 305 CB ARG A 22 26.558 -2.231 -3.368 1.00 0.33 C ATOM 306 CG ARG A 22 26.400 -0.824 -3.949 1.00 0.69 C ATOM 307 CD ARG A 22 27.681 -0.026 -3.703 1.00 1.24 C ATOM 308 NE ARG A 22 27.497 1.372 -4.183 1.00 1.34 N ATOM 309 CZ ARG A 22 28.335 2.304 -3.820 1.00 2.07 C ATOM 310 NH1 ARG A 22 29.341 2.011 -3.041 1.00 2.89 N ATOM 311 NH2 ARG A 22 28.169 3.529 -4.237 1.00 2.44 N ATOM 0 H ARG A 22 26.070 -4.264 -1.989 1.00 0.31 H new ATOM 0 HA ARG A 22 24.423 -2.323 -3.158 1.00 0.30 H new ATOM 0 HB2 ARG A 22 26.869 -2.172 -2.325 1.00 0.33 H new ATOM 0 HB3 ARG A 22 27.339 -2.771 -3.903 1.00 0.33 H new ATOM 0 HG2 ARG A 22 26.194 -0.881 -5.018 1.00 0.69 H new ATOM 0 HG3 ARG A 22 25.551 -0.321 -3.487 1.00 0.69 H new ATOM 0 HD2 ARG A 22 27.924 -0.028 -2.641 1.00 1.24 H new ATOM 0 HD3 ARG A 22 28.518 -0.493 -4.222 1.00 1.24 H new ATOM 0 HE ARG A 22 26.715 1.601 -4.796 1.00 1.34 H new ATOM 0 HH11 ARG A 22 29.472 1.053 -2.716 1.00 2.89 H new ATOM 0 HH12 ARG A 22 29.996 2.740 -2.758 1.00 2.89 H new ATOM 0 HH21 ARG A 22 27.384 3.758 -4.847 1.00 2.44 H new ATOM 0 HH22 ARG A 22 28.824 4.258 -3.953 1.00 2.44 H new ATOM 325 N ASN A 23 25.550 -4.559 -5.284 1.00 0.34 N ATOM 326 CA ASN A 23 25.372 -5.073 -6.671 1.00 0.37 C ATOM 327 C ASN A 23 23.947 -5.604 -6.846 1.00 0.37 C ATOM 328 O ASN A 23 23.667 -6.361 -7.755 1.00 0.40 O ATOM 329 CB ASN A 23 26.374 -6.201 -6.927 1.00 0.42 C ATOM 330 CG ASN A 23 26.270 -6.658 -8.383 1.00 1.47 C ATOM 331 OD1 ASN A 23 26.434 -5.869 -9.293 1.00 2.16 O ATOM 332 ND2 ASN A 23 26.002 -7.908 -8.644 1.00 2.38 N ATOM 0 H ASN A 23 26.113 -5.151 -4.673 1.00 0.34 H new ATOM 0 HA ASN A 23 25.543 -4.264 -7.382 1.00 0.37 H new ATOM 0 HB2 ASN A 23 27.386 -5.857 -6.714 1.00 0.42 H new ATOM 0 HB3 ASN A 23 26.174 -7.038 -6.257 1.00 0.42 H new ATOM 0 HD21 ASN A 23 25.930 -8.223 -9.612 1.00 2.38 H new ATOM 0 HD22 ASN A 23 25.864 -8.570 -7.881 1.00 2.38 H new ATOM 339 N PHE A 24 23.044 -5.224 -5.976 1.00 0.33 N ATOM 340 CA PHE A 24 21.632 -5.716 -6.086 1.00 0.33 C ATOM 341 C PHE A 24 20.678 -4.570 -5.731 1.00 0.30 C ATOM 342 O PHE A 24 19.586 -4.784 -5.244 1.00 0.28 O ATOM 343 CB PHE A 24 21.431 -6.884 -5.102 1.00 0.33 C ATOM 344 CG PHE A 24 20.253 -7.745 -5.515 1.00 0.35 C ATOM 345 CD1 PHE A 24 20.255 -8.400 -6.767 1.00 0.39 C ATOM 346 CD2 PHE A 24 19.156 -7.909 -4.642 1.00 0.35 C ATOM 347 CE1 PHE A 24 19.167 -9.210 -7.141 1.00 0.41 C ATOM 348 CE2 PHE A 24 18.069 -8.720 -5.021 1.00 0.37 C ATOM 349 CZ PHE A 24 18.074 -9.369 -6.268 1.00 0.41 C ATOM 0 H PHE A 24 23.222 -4.594 -5.194 1.00 0.33 H new ATOM 0 HA PHE A 24 21.429 -6.058 -7.101 1.00 0.33 H new ATOM 0 HB2 PHE A 24 22.335 -7.492 -5.064 1.00 0.33 H new ATOM 0 HB3 PHE A 24 21.267 -6.494 -4.098 1.00 0.33 H new ATOM 0 HD1 PHE A 24 21.093 -8.279 -7.438 1.00 0.39 H new ATOM 0 HD2 PHE A 24 19.150 -7.412 -3.683 1.00 0.35 H new ATOM 0 HE1 PHE A 24 19.170 -9.710 -8.098 1.00 0.41 H new ATOM 0 HE2 PHE A 24 17.230 -8.844 -4.352 1.00 0.37 H new ATOM 0 HZ PHE A 24 17.239 -9.990 -6.557 1.00 0.41 H new ATOM 359 N VAL A 25 21.087 -3.353 -5.978 1.00 0.30 N ATOM 360 CA VAL A 25 20.220 -2.178 -5.666 1.00 0.28 C ATOM 361 C VAL A 25 20.523 -1.068 -6.673 1.00 0.30 C ATOM 362 O VAL A 25 21.389 -0.242 -6.461 1.00 0.31 O ATOM 363 CB VAL A 25 20.515 -1.678 -4.250 1.00 0.24 C ATOM 364 CG1 VAL A 25 19.552 -0.544 -3.898 1.00 0.22 C ATOM 365 CG2 VAL A 25 20.328 -2.824 -3.253 1.00 0.23 C ATOM 0 H VAL A 25 21.993 -3.121 -6.386 1.00 0.30 H new ATOM 0 HA VAL A 25 19.170 -2.465 -5.728 1.00 0.28 H new ATOM 0 HB VAL A 25 21.542 -1.315 -4.203 1.00 0.24 H new ATOM 0 HG11 VAL A 25 19.762 -0.188 -2.889 1.00 0.22 H new ATOM 0 HG12 VAL A 25 19.680 0.275 -4.606 1.00 0.22 H new ATOM 0 HG13 VAL A 25 18.526 -0.909 -3.947 1.00 0.22 H new ATOM 0 HG21 VAL A 25 20.538 -2.467 -2.245 1.00 0.23 H new ATOM 0 HG22 VAL A 25 19.301 -3.186 -3.303 1.00 0.23 H new ATOM 0 HG23 VAL A 25 21.011 -3.636 -3.500 1.00 0.23 H new ATOM 375 N VAL A 26 19.822 -1.051 -7.774 1.00 0.33 N ATOM 376 CA VAL A 26 20.070 -0.008 -8.807 1.00 0.36 C ATOM 377 C VAL A 26 19.280 1.252 -8.464 1.00 0.35 C ATOM 378 O VAL A 26 19.496 2.303 -9.036 1.00 0.37 O ATOM 379 CB VAL A 26 19.621 -0.538 -10.170 1.00 0.41 C ATOM 380 CG1 VAL A 26 20.649 -1.546 -10.692 1.00 0.78 C ATOM 381 CG2 VAL A 26 18.261 -1.224 -10.022 1.00 0.61 C ATOM 0 H VAL A 26 19.085 -1.718 -8.002 1.00 0.33 H new ATOM 0 HA VAL A 26 21.133 0.233 -8.837 1.00 0.36 H new ATOM 0 HB VAL A 26 19.538 0.290 -10.874 1.00 0.41 H new ATOM 0 HG11 VAL A 26 20.328 -1.923 -11.663 1.00 0.78 H new ATOM 0 HG12 VAL A 26 21.618 -1.057 -10.794 1.00 0.78 H new ATOM 0 HG13 VAL A 26 20.733 -2.376 -9.990 1.00 0.78 H new ATOM 0 HG21 VAL A 26 17.937 -1.603 -10.991 1.00 0.61 H new ATOM 0 HG22 VAL A 26 18.346 -2.052 -9.318 1.00 0.61 H new ATOM 0 HG23 VAL A 26 17.530 -0.506 -9.651 1.00 0.61 H new ATOM 391 N ASP A 27 18.367 1.163 -7.541 1.00 0.32 N ATOM 392 CA ASP A 27 17.574 2.366 -7.179 1.00 0.31 C ATOM 393 C ASP A 27 16.755 2.071 -5.930 1.00 0.27 C ATOM 394 O ASP A 27 16.905 1.039 -5.306 1.00 0.25 O ATOM 395 CB ASP A 27 16.633 2.722 -8.334 1.00 0.34 C ATOM 396 CG ASP A 27 16.069 4.127 -8.120 1.00 0.35 C ATOM 397 OD1 ASP A 27 16.787 4.956 -7.586 1.00 1.09 O ATOM 398 OD2 ASP A 27 14.929 4.350 -8.492 1.00 1.13 O ATOM 0 H ASP A 27 18.137 0.314 -7.024 1.00 0.32 H new ATOM 0 HA ASP A 27 18.245 3.203 -6.987 1.00 0.31 H new ATOM 0 HB2 ASP A 27 17.170 2.675 -9.282 1.00 0.34 H new ATOM 0 HB3 ASP A 27 15.821 1.998 -8.391 1.00 0.34 H new ATOM 403 N TYR A 28 15.885 2.966 -5.556 1.00 0.26 N ATOM 404 CA TYR A 28 15.057 2.731 -4.346 1.00 0.23 C ATOM 405 C TYR A 28 13.776 3.551 -4.427 1.00 0.25 C ATOM 406 O TYR A 28 13.487 4.191 -5.420 1.00 0.29 O ATOM 407 CB TYR A 28 15.843 3.106 -3.084 1.00 0.19 C ATOM 408 CG TYR A 28 15.967 4.613 -2.957 1.00 0.21 C ATOM 409 CD1 TYR A 28 16.673 5.352 -3.927 1.00 0.25 C ATOM 410 CD2 TYR A 28 15.387 5.276 -1.856 1.00 0.19 C ATOM 411 CE1 TYR A 28 16.795 6.748 -3.797 1.00 0.26 C ATOM 412 CE2 TYR A 28 15.509 6.670 -1.724 1.00 0.22 C ATOM 413 CZ TYR A 28 16.214 7.409 -2.696 1.00 0.25 C ATOM 414 OH TYR A 28 16.335 8.776 -2.569 1.00 0.28 O ATOM 0 H TYR A 28 15.713 3.849 -6.037 1.00 0.26 H new ATOM 0 HA TYR A 28 14.799 1.673 -4.295 1.00 0.23 H new ATOM 0 HB2 TYR A 28 15.342 2.702 -2.204 1.00 0.19 H new ATOM 0 HB3 TYR A 28 16.835 2.656 -3.121 1.00 0.19 H new ATOM 0 HD1 TYR A 28 17.121 4.847 -4.770 1.00 0.25 H new ATOM 0 HD2 TYR A 28 14.847 4.710 -1.111 1.00 0.19 H new ATOM 0 HE1 TYR A 28 17.335 7.314 -4.542 1.00 0.26 H new ATOM 0 HE2 TYR A 28 15.063 7.174 -0.879 1.00 0.22 H new ATOM 0 HH TYR A 28 15.876 9.071 -1.755 1.00 0.28 H new ATOM 424 N TYR A 29 13.000 3.513 -3.390 1.00 0.23 N ATOM 425 CA TYR A 29 11.719 4.260 -3.380 1.00 0.25 C ATOM 426 C TYR A 29 11.256 4.399 -1.925 1.00 0.22 C ATOM 427 O TYR A 29 11.369 3.477 -1.147 1.00 0.23 O ATOM 428 CB TYR A 29 10.701 3.466 -4.213 1.00 0.29 C ATOM 429 CG TYR A 29 9.291 3.900 -3.891 1.00 0.31 C ATOM 430 CD1 TYR A 29 8.838 5.166 -4.298 1.00 0.36 C ATOM 431 CD2 TYR A 29 8.433 3.035 -3.183 1.00 0.35 C ATOM 432 CE1 TYR A 29 7.523 5.573 -3.997 1.00 0.39 C ATOM 433 CE2 TYR A 29 7.119 3.440 -2.883 1.00 0.38 C ATOM 434 CZ TYR A 29 6.664 4.709 -3.289 1.00 0.36 C ATOM 435 OH TYR A 29 5.374 5.107 -2.994 1.00 0.39 O ATOM 0 H TYR A 29 13.200 2.990 -2.537 1.00 0.23 H new ATOM 0 HA TYR A 29 11.827 5.256 -3.809 1.00 0.25 H new ATOM 0 HB2 TYR A 29 10.899 3.614 -5.275 1.00 0.29 H new ATOM 0 HB3 TYR A 29 10.813 2.400 -4.013 1.00 0.29 H new ATOM 0 HD1 TYR A 29 9.497 5.827 -4.841 1.00 0.36 H new ATOM 0 HD2 TYR A 29 8.783 2.062 -2.871 1.00 0.35 H new ATOM 0 HE1 TYR A 29 7.174 6.546 -4.309 1.00 0.39 H new ATOM 0 HE2 TYR A 29 6.460 2.778 -2.342 1.00 0.38 H new ATOM 0 HH TYR A 29 4.916 4.393 -2.503 1.00 0.39 H new ATOM 445 N GLU A 30 10.741 5.538 -1.543 1.00 0.22 N ATOM 446 CA GLU A 30 10.276 5.715 -0.131 1.00 0.20 C ATOM 447 C GLU A 30 8.763 5.473 -0.064 1.00 0.21 C ATOM 448 O GLU A 30 8.059 5.614 -1.044 1.00 0.24 O ATOM 449 CB GLU A 30 10.590 7.137 0.337 1.00 0.22 C ATOM 450 CG GLU A 30 12.081 7.254 0.669 1.00 0.25 C ATOM 451 CD GLU A 30 12.422 8.715 0.969 1.00 0.69 C ATOM 452 OE1 GLU A 30 11.539 9.546 0.841 1.00 1.35 O ATOM 453 OE2 GLU A 30 13.561 8.976 1.319 1.00 1.43 O ATOM 0 H GLU A 30 10.621 6.353 -2.144 1.00 0.22 H new ATOM 0 HA GLU A 30 10.789 5.003 0.516 1.00 0.20 H new ATOM 0 HB2 GLU A 30 10.323 7.853 -0.440 1.00 0.22 H new ATOM 0 HB3 GLU A 30 9.992 7.382 1.215 1.00 0.22 H new ATOM 0 HG2 GLU A 30 12.324 6.629 1.528 1.00 0.25 H new ATOM 0 HG3 GLU A 30 12.680 6.893 -0.167 1.00 0.25 H new ATOM 460 N THR A 31 8.266 5.102 1.082 1.00 0.19 N ATOM 461 CA THR A 31 6.801 4.836 1.221 1.00 0.21 C ATOM 462 C THR A 31 6.016 6.149 1.192 1.00 0.25 C ATOM 463 O THR A 31 6.528 7.189 0.827 1.00 0.27 O ATOM 464 CB THR A 31 6.547 4.134 2.554 1.00 0.20 C ATOM 465 OG1 THR A 31 7.252 4.821 3.573 1.00 0.21 O ATOM 466 CG2 THR A 31 7.031 2.685 2.467 1.00 0.20 C ATOM 0 H THR A 31 8.811 4.970 1.934 1.00 0.19 H new ATOM 0 HA THR A 31 6.474 4.208 0.392 1.00 0.21 H new ATOM 0 HB THR A 31 5.481 4.137 2.782 1.00 0.20 H new ATOM 0 HG1 THR A 31 7.450 5.734 3.276 1.00 0.21 H new ATOM 0 HG21 THR A 31 6.850 2.183 3.418 1.00 0.20 H new ATOM 0 HG22 THR A 31 6.490 2.168 1.675 1.00 0.20 H new ATOM 0 HG23 THR A 31 8.098 2.671 2.246 1.00 0.20 H new ATOM 474 N SER A 32 4.770 6.098 1.581 1.00 0.27 N ATOM 475 CA SER A 32 3.927 7.326 1.590 1.00 0.31 C ATOM 476 C SER A 32 4.117 8.067 2.912 1.00 0.33 C ATOM 477 O SER A 32 5.197 8.111 3.467 1.00 0.33 O ATOM 478 CB SER A 32 2.459 6.929 1.445 1.00 0.33 C ATOM 479 OG SER A 32 1.674 8.095 1.234 1.00 1.27 O ATOM 0 H SER A 32 4.297 5.250 1.895 1.00 0.27 H new ATOM 0 HA SER A 32 4.220 7.974 0.764 1.00 0.31 H new ATOM 0 HB2 SER A 32 2.338 6.239 0.610 1.00 0.33 H new ATOM 0 HB3 SER A 32 2.122 6.407 2.340 1.00 0.33 H new ATOM 0 HG SER A 32 0.732 7.842 1.139 1.00 1.27 H new ATOM 485 N SER A 33 3.068 8.652 3.418 1.00 0.36 N ATOM 486 CA SER A 33 3.157 9.401 4.708 1.00 0.40 C ATOM 487 C SER A 33 1.883 9.154 5.510 1.00 0.40 C ATOM 488 O SER A 33 1.904 9.062 6.721 1.00 0.42 O ATOM 489 CB SER A 33 3.272 10.892 4.413 1.00 0.46 C ATOM 490 OG SER A 33 1.979 11.419 4.146 1.00 0.48 O ATOM 0 H SER A 33 2.142 8.645 2.990 1.00 0.36 H new ATOM 0 HA SER A 33 4.027 9.066 5.272 1.00 0.40 H new ATOM 0 HB2 SER A 33 3.720 11.409 5.262 1.00 0.46 H new ATOM 0 HB3 SER A 33 3.928 11.056 3.558 1.00 0.46 H new ATOM 0 HG SER A 33 2.049 12.378 3.958 1.00 0.48 H new ATOM 496 N LEU A 34 0.775 9.053 4.826 1.00 0.39 N ATOM 497 CA LEU A 34 -0.534 8.814 5.506 1.00 0.39 C ATOM 498 C LEU A 34 -0.361 7.812 6.649 1.00 0.37 C ATOM 499 O LEU A 34 -0.680 8.089 7.789 1.00 0.40 O ATOM 500 CB LEU A 34 -1.536 8.250 4.498 1.00 0.36 C ATOM 501 CG LEU A 34 -1.429 9.002 3.169 1.00 0.39 C ATOM 502 CD1 LEU A 34 -2.561 8.554 2.241 1.00 0.40 C ATOM 503 CD2 LEU A 34 -1.537 10.510 3.421 1.00 0.45 C ATOM 0 H LEU A 34 0.719 9.127 3.810 1.00 0.39 H new ATOM 0 HA LEU A 34 -0.899 9.759 5.908 1.00 0.39 H new ATOM 0 HB2 LEU A 34 -1.346 7.188 4.340 1.00 0.36 H new ATOM 0 HB3 LEU A 34 -2.548 8.337 4.893 1.00 0.36 H new ATOM 0 HG LEU A 34 -0.468 8.784 2.703 1.00 0.39 H new ATOM 0 HD11 LEU A 34 -2.488 9.088 1.294 1.00 0.40 H new ATOM 0 HD12 LEU A 34 -2.481 7.482 2.061 1.00 0.40 H new ATOM 0 HD13 LEU A 34 -3.522 8.773 2.707 1.00 0.40 H new ATOM 0 HD21 LEU A 34 -1.461 11.044 2.474 1.00 0.45 H new ATOM 0 HD22 LEU A 34 -2.497 10.733 3.887 1.00 0.45 H new ATOM 0 HD23 LEU A 34 -0.730 10.827 4.082 1.00 0.45 H new ATOM 515 N CYS A 35 0.139 6.649 6.347 1.00 0.33 N ATOM 516 CA CYS A 35 0.330 5.630 7.413 1.00 0.34 C ATOM 517 C CYS A 35 1.464 6.081 8.340 1.00 0.39 C ATOM 518 O CYS A 35 2.538 6.426 7.902 1.00 0.38 O ATOM 519 CB CYS A 35 0.668 4.275 6.777 1.00 0.32 C ATOM 520 SG CYS A 35 1.782 4.512 5.369 1.00 0.39 S ATOM 0 H CYS A 35 0.423 6.360 5.411 1.00 0.33 H new ATOM 0 HA CYS A 35 -0.587 5.524 7.993 1.00 0.34 H new ATOM 0 HB2 CYS A 35 1.136 3.624 7.516 1.00 0.32 H new ATOM 0 HB3 CYS A 35 -0.246 3.780 6.449 1.00 0.32 H new ATOM 525 N SER A 36 1.215 6.106 9.619 1.00 0.44 N ATOM 526 CA SER A 36 2.261 6.549 10.587 1.00 0.51 C ATOM 527 C SER A 36 3.440 5.565 10.625 1.00 0.51 C ATOM 528 O SER A 36 4.062 5.390 11.654 1.00 0.58 O ATOM 529 CB SER A 36 1.644 6.643 11.982 1.00 0.59 C ATOM 530 OG SER A 36 1.447 5.334 12.497 1.00 1.41 O ATOM 0 H SER A 36 0.326 5.837 10.040 1.00 0.44 H new ATOM 0 HA SER A 36 2.635 7.521 10.266 1.00 0.51 H new ATOM 0 HB2 SER A 36 2.297 7.212 12.644 1.00 0.59 H new ATOM 0 HB3 SER A 36 0.694 7.175 11.937 1.00 0.59 H new ATOM 0 HG SER A 36 1.053 5.391 13.392 1.00 1.41 H new ATOM 536 N GLN A 37 3.766 4.913 9.535 1.00 0.45 N ATOM 537 CA GLN A 37 4.913 3.952 9.575 1.00 0.47 C ATOM 538 C GLN A 37 5.543 3.791 8.182 1.00 0.36 C ATOM 539 O GLN A 37 5.491 2.719 7.615 1.00 0.35 O ATOM 540 CB GLN A 37 4.408 2.589 10.061 1.00 0.55 C ATOM 541 CG GLN A 37 3.110 2.232 9.332 1.00 0.78 C ATOM 542 CD GLN A 37 2.636 0.848 9.780 1.00 0.79 C ATOM 543 OE1 GLN A 37 1.457 0.634 9.984 1.00 1.24 O ATOM 544 NE2 GLN A 37 3.510 -0.106 9.945 1.00 1.47 N ATOM 0 H GLN A 37 3.297 5.002 8.634 1.00 0.45 H new ATOM 0 HA GLN A 37 5.671 4.341 10.255 1.00 0.47 H new ATOM 0 HB2 GLN A 37 5.162 1.824 9.877 1.00 0.55 H new ATOM 0 HB3 GLN A 37 4.237 2.616 11.137 1.00 0.55 H new ATOM 0 HG2 GLN A 37 2.344 2.977 9.546 1.00 0.78 H new ATOM 0 HG3 GLN A 37 3.272 2.241 8.254 1.00 0.78 H new ATOM 0 HE21 GLN A 37 4.499 0.074 9.774 1.00 1.47 H new ATOM 0 HE22 GLN A 37 3.204 -1.032 10.245 1.00 1.47 H new ATOM 553 N PRO A 38 6.142 4.847 7.674 1.00 0.34 N ATOM 554 CA PRO A 38 6.802 4.798 6.355 1.00 0.26 C ATOM 555 C PRO A 38 8.065 3.930 6.456 1.00 0.25 C ATOM 556 O PRO A 38 8.425 3.455 7.515 1.00 0.27 O ATOM 557 CB PRO A 38 7.162 6.270 6.042 1.00 0.33 C ATOM 558 CG PRO A 38 6.903 7.095 7.337 1.00 0.43 C ATOM 559 CD PRO A 38 6.204 6.161 8.352 1.00 0.43 C ATOM 0 HA PRO A 38 6.176 4.366 5.575 1.00 0.26 H new ATOM 0 HB2 PRO A 38 8.205 6.354 5.735 1.00 0.33 H new ATOM 0 HB3 PRO A 38 6.556 6.647 5.218 1.00 0.33 H new ATOM 0 HG2 PRO A 38 7.841 7.472 7.745 1.00 0.43 H new ATOM 0 HG3 PRO A 38 6.279 7.962 7.121 1.00 0.43 H new ATOM 0 HD2 PRO A 38 6.765 6.099 9.284 1.00 0.43 H new ATOM 0 HD3 PRO A 38 5.207 6.524 8.603 1.00 0.43 H new ATOM 567 N ALA A 39 8.735 3.734 5.361 1.00 0.23 N ATOM 568 CA ALA A 39 9.972 2.918 5.361 1.00 0.22 C ATOM 569 C ALA A 39 10.681 3.146 4.032 1.00 0.19 C ATOM 570 O ALA A 39 10.121 3.726 3.122 1.00 0.22 O ATOM 571 CB ALA A 39 9.616 1.436 5.500 1.00 0.23 C ATOM 0 H ALA A 39 8.472 4.112 4.451 1.00 0.23 H new ATOM 0 HA ALA A 39 10.614 3.204 6.194 1.00 0.22 H new ATOM 0 HB1 ALA A 39 10.529 0.841 5.499 1.00 0.23 H new ATOM 0 HB2 ALA A 39 9.080 1.277 6.436 1.00 0.23 H new ATOM 0 HB3 ALA A 39 8.985 1.133 4.664 1.00 0.23 H new ATOM 577 N VAL A 40 11.892 2.681 3.890 1.00 0.15 N ATOM 578 CA VAL A 40 12.608 2.863 2.593 1.00 0.13 C ATOM 579 C VAL A 40 12.433 1.579 1.787 1.00 0.13 C ATOM 580 O VAL A 40 12.399 0.493 2.333 1.00 0.18 O ATOM 581 CB VAL A 40 14.097 3.133 2.846 1.00 0.12 C ATOM 582 CG1 VAL A 40 14.889 2.930 1.549 1.00 0.12 C ATOM 583 CG2 VAL A 40 14.269 4.579 3.312 1.00 0.16 C ATOM 0 H VAL A 40 12.416 2.185 4.611 1.00 0.15 H new ATOM 0 HA VAL A 40 12.201 3.714 2.046 1.00 0.13 H new ATOM 0 HB VAL A 40 14.465 2.446 3.608 1.00 0.12 H new ATOM 0 HG11 VAL A 40 15.946 3.123 1.734 1.00 0.12 H new ATOM 0 HG12 VAL A 40 14.763 1.904 1.202 1.00 0.12 H new ATOM 0 HG13 VAL A 40 14.522 3.618 0.787 1.00 0.12 H new ATOM 0 HG21 VAL A 40 15.325 4.779 3.494 1.00 0.16 H new ATOM 0 HG22 VAL A 40 13.899 5.256 2.542 1.00 0.16 H new ATOM 0 HG23 VAL A 40 13.706 4.734 4.233 1.00 0.16 H new ATOM 593 N VAL A 41 12.298 1.705 0.497 1.00 0.15 N ATOM 594 CA VAL A 41 12.095 0.507 -0.377 1.00 0.16 C ATOM 595 C VAL A 41 13.229 0.425 -1.400 1.00 0.16 C ATOM 596 O VAL A 41 13.404 1.303 -2.216 1.00 0.18 O ATOM 597 CB VAL A 41 10.748 0.656 -1.090 1.00 0.21 C ATOM 598 CG1 VAL A 41 10.282 -0.692 -1.630 1.00 0.25 C ATOM 599 CG2 VAL A 41 9.706 1.179 -0.097 1.00 0.23 C ATOM 0 H VAL A 41 12.319 2.596 0.001 1.00 0.15 H new ATOM 0 HA VAL A 41 12.098 -0.406 0.218 1.00 0.16 H new ATOM 0 HB VAL A 41 10.864 1.354 -1.919 1.00 0.21 H new ATOM 0 HG11 VAL A 41 9.323 -0.570 -2.134 1.00 0.25 H new ATOM 0 HG12 VAL A 41 11.018 -1.075 -2.337 1.00 0.25 H new ATOM 0 HG13 VAL A 41 10.171 -1.396 -0.805 1.00 0.25 H new ATOM 0 HG21 VAL A 41 8.745 1.287 -0.601 1.00 0.23 H new ATOM 0 HG22 VAL A 41 9.606 0.475 0.729 1.00 0.23 H new ATOM 0 HG23 VAL A 41 10.024 2.148 0.288 1.00 0.23 H new ATOM 609 N PHE A 42 14.012 -0.621 -1.361 1.00 0.15 N ATOM 610 CA PHE A 42 15.144 -0.742 -2.330 1.00 0.17 C ATOM 611 C PHE A 42 14.684 -1.472 -3.594 1.00 0.21 C ATOM 612 O PHE A 42 14.040 -2.501 -3.535 1.00 0.23 O ATOM 613 CB PHE A 42 16.287 -1.537 -1.688 1.00 0.16 C ATOM 614 CG PHE A 42 17.021 -0.673 -0.686 1.00 0.14 C ATOM 615 CD1 PHE A 42 17.724 0.467 -1.121 1.00 0.14 C ATOM 616 CD2 PHE A 42 17.009 -1.012 0.681 1.00 0.13 C ATOM 617 CE1 PHE A 42 18.414 1.267 -0.190 1.00 0.14 C ATOM 618 CE2 PHE A 42 17.701 -0.214 1.610 1.00 0.14 C ATOM 619 CZ PHE A 42 18.403 0.927 1.176 1.00 0.14 C ATOM 0 H PHE A 42 13.918 -1.395 -0.703 1.00 0.15 H new ATOM 0 HA PHE A 42 15.486 0.259 -2.594 1.00 0.17 H new ATOM 0 HB2 PHE A 42 15.891 -2.424 -1.194 1.00 0.16 H new ATOM 0 HB3 PHE A 42 16.978 -1.882 -2.457 1.00 0.16 H new ATOM 0 HD1 PHE A 42 17.734 0.728 -2.169 1.00 0.14 H new ATOM 0 HD2 PHE A 42 16.468 -1.885 1.016 1.00 0.13 H new ATOM 0 HE1 PHE A 42 18.952 2.142 -0.524 1.00 0.14 H new ATOM 0 HE2 PHE A 42 17.694 -0.477 2.658 1.00 0.14 H new ATOM 0 HZ PHE A 42 18.932 1.540 1.890 1.00 0.14 H new ATOM 629 N GLN A 43 15.046 -0.955 -4.739 1.00 0.24 N ATOM 630 CA GLN A 43 14.679 -1.613 -6.026 1.00 0.28 C ATOM 631 C GLN A 43 15.884 -2.452 -6.456 1.00 0.30 C ATOM 632 O GLN A 43 16.980 -1.935 -6.587 1.00 0.30 O ATOM 633 CB GLN A 43 14.383 -0.533 -7.068 1.00 0.32 C ATOM 634 CG GLN A 43 13.132 0.246 -6.653 1.00 0.32 C ATOM 635 CD GLN A 43 12.978 1.477 -7.547 1.00 0.58 C ATOM 636 OE1 GLN A 43 12.276 1.440 -8.538 1.00 1.29 O ATOM 637 NE2 GLN A 43 13.611 2.577 -7.238 1.00 1.31 N ATOM 0 H GLN A 43 15.586 -0.095 -4.837 1.00 0.24 H new ATOM 0 HA GLN A 43 13.795 -2.243 -5.922 1.00 0.28 H new ATOM 0 HB2 GLN A 43 15.233 0.144 -7.158 1.00 0.32 H new ATOM 0 HB3 GLN A 43 14.233 -0.988 -8.047 1.00 0.32 H new ATOM 0 HG2 GLN A 43 12.250 -0.390 -6.736 1.00 0.32 H new ATOM 0 HG3 GLN A 43 13.209 0.549 -5.609 1.00 0.32 H new ATOM 0 HE21 GLN A 43 14.201 2.610 -6.406 1.00 1.31 H new ATOM 0 HE22 GLN A 43 13.516 3.403 -7.828 1.00 1.31 H new ATOM 646 N THR A 44 15.722 -3.749 -6.629 1.00 0.32 N ATOM 647 CA THR A 44 16.912 -4.594 -6.986 1.00 0.34 C ATOM 648 C THR A 44 17.035 -4.806 -8.490 1.00 0.39 C ATOM 649 O THR A 44 16.570 -4.021 -9.293 1.00 0.41 O ATOM 650 CB THR A 44 16.795 -5.958 -6.312 1.00 0.34 C ATOM 651 OG1 THR A 44 15.945 -6.788 -7.086 1.00 0.38 O ATOM 652 CG2 THR A 44 16.212 -5.784 -4.908 1.00 0.29 C ATOM 0 H THR A 44 14.837 -4.249 -6.541 1.00 0.32 H new ATOM 0 HA THR A 44 17.799 -4.064 -6.640 1.00 0.34 H new ATOM 0 HB THR A 44 17.780 -6.418 -6.236 1.00 0.34 H new ATOM 0 HG1 THR A 44 15.062 -6.836 -6.664 1.00 0.38 H new ATOM 0 HG21 THR A 44 16.128 -6.758 -4.426 1.00 0.29 H new ATOM 0 HG22 THR A 44 16.867 -5.143 -4.319 1.00 0.29 H new ATOM 0 HG23 THR A 44 15.225 -5.327 -4.978 1.00 0.29 H new ATOM 660 N LYS A 45 17.696 -5.873 -8.862 1.00 0.43 N ATOM 661 CA LYS A 45 17.923 -6.193 -10.303 1.00 0.48 C ATOM 662 C LYS A 45 17.203 -7.499 -10.651 1.00 0.51 C ATOM 663 O LYS A 45 16.921 -7.770 -11.801 1.00 0.56 O ATOM 664 CB LYS A 45 19.430 -6.372 -10.543 1.00 0.50 C ATOM 665 CG LYS A 45 20.214 -5.240 -9.851 1.00 0.46 C ATOM 666 CD LYS A 45 21.729 -5.540 -9.867 1.00 0.49 C ATOM 667 CE LYS A 45 22.367 -5.026 -11.156 1.00 0.54 C ATOM 668 NZ LYS A 45 21.835 -5.782 -12.325 1.00 1.55 N ATOM 0 H LYS A 45 18.096 -6.550 -8.212 1.00 0.43 H new ATOM 0 HA LYS A 45 17.539 -5.385 -10.925 1.00 0.48 H new ATOM 0 HB2 LYS A 45 19.755 -7.338 -10.158 1.00 0.50 H new ATOM 0 HB3 LYS A 45 19.639 -6.368 -11.613 1.00 0.50 H new ATOM 0 HG2 LYS A 45 20.020 -4.294 -10.356 1.00 0.46 H new ATOM 0 HG3 LYS A 45 19.871 -5.128 -8.823 1.00 0.46 H new ATOM 0 HD2 LYS A 45 22.207 -5.071 -9.007 1.00 0.49 H new ATOM 0 HD3 LYS A 45 21.893 -6.614 -9.777 1.00 0.49 H new ATOM 0 HE2 LYS A 45 22.159 -3.963 -11.275 1.00 0.54 H new ATOM 0 HE3 LYS A 45 23.450 -5.136 -11.104 1.00 0.54 H new ATOM 0 HZ1 LYS A 45 22.541 -5.782 -13.089 1.00 1.55 H new ATOM 0 HZ2 LYS A 45 21.632 -6.762 -12.041 1.00 1.55 H new ATOM 0 HZ3 LYS A 45 20.961 -5.331 -12.662 1.00 1.55 H new ATOM 682 N ARG A 46 16.909 -8.311 -9.663 1.00 0.50 N ATOM 683 CA ARG A 46 16.210 -9.611 -9.923 1.00 0.54 C ATOM 684 C ARG A 46 15.037 -9.733 -8.943 1.00 0.49 C ATOM 685 O ARG A 46 14.873 -10.719 -8.258 1.00 0.48 O ATOM 686 CB ARG A 46 17.208 -10.770 -9.719 1.00 0.59 C ATOM 687 CG ARG A 46 16.759 -12.039 -10.484 1.00 0.72 C ATOM 688 CD ARG A 46 15.652 -12.787 -9.725 1.00 0.92 C ATOM 689 NE ARG A 46 15.651 -14.229 -10.134 1.00 1.48 N ATOM 690 CZ ARG A 46 15.582 -14.582 -11.391 1.00 2.13 C ATOM 691 NH1 ARG A 46 15.309 -13.703 -12.314 1.00 2.62 N ATOM 692 NH2 ARG A 46 15.726 -15.838 -11.718 1.00 2.82 N ATOM 0 H ARG A 46 17.124 -8.128 -8.683 1.00 0.50 H new ATOM 0 HA ARG A 46 15.833 -9.651 -10.945 1.00 0.54 H new ATOM 0 HB2 ARG A 46 18.197 -10.466 -10.063 1.00 0.59 H new ATOM 0 HB3 ARG A 46 17.295 -10.995 -8.656 1.00 0.59 H new ATOM 0 HG2 ARG A 46 16.399 -11.761 -11.475 1.00 0.72 H new ATOM 0 HG3 ARG A 46 17.614 -12.700 -10.629 1.00 0.72 H new ATOM 0 HD2 ARG A 46 15.813 -12.703 -8.650 1.00 0.92 H new ATOM 0 HD3 ARG A 46 14.682 -12.337 -9.938 1.00 0.92 H new ATOM 0 HE ARG A 46 15.705 -14.951 -9.416 1.00 1.48 H new ATOM 0 HH11 ARG A 46 15.147 -12.729 -12.059 1.00 2.62 H new ATOM 0 HH12 ARG A 46 15.258 -13.989 -13.292 1.00 2.62 H new ATOM 0 HH21 ARG A 46 15.891 -16.538 -10.994 1.00 2.82 H new ATOM 0 HH22 ARG A 46 15.673 -16.119 -12.697 1.00 2.82 H new ATOM 706 N SER A 47 14.218 -8.725 -8.879 1.00 0.46 N ATOM 707 CA SER A 47 13.050 -8.762 -7.972 1.00 0.42 C ATOM 708 C SER A 47 12.141 -7.594 -8.337 1.00 0.42 C ATOM 709 O SER A 47 11.709 -7.461 -9.464 1.00 0.46 O ATOM 710 CB SER A 47 13.501 -8.661 -6.508 1.00 0.38 C ATOM 711 OG SER A 47 13.887 -7.327 -6.212 1.00 1.07 O ATOM 0 H SER A 47 14.312 -7.868 -9.424 1.00 0.46 H new ATOM 0 HA SER A 47 12.514 -9.705 -8.083 1.00 0.42 H new ATOM 0 HB2 SER A 47 12.691 -8.970 -5.847 1.00 0.38 H new ATOM 0 HB3 SER A 47 14.335 -9.339 -6.328 1.00 0.38 H new ATOM 0 HG SER A 47 13.864 -7.187 -5.242 1.00 1.07 H new ATOM 717 N LYS A 48 11.872 -6.739 -7.408 1.00 0.38 N ATOM 718 CA LYS A 48 11.013 -5.562 -7.688 1.00 0.40 C ATOM 719 C LYS A 48 11.323 -4.511 -6.632 1.00 0.35 C ATOM 720 O LYS A 48 12.220 -3.701 -6.778 1.00 0.34 O ATOM 721 CB LYS A 48 9.523 -5.959 -7.602 1.00 0.44 C ATOM 722 CG LYS A 48 9.033 -6.534 -8.943 1.00 1.11 C ATOM 723 CD LYS A 48 7.502 -6.600 -8.950 1.00 1.38 C ATOM 724 CE LYS A 48 7.012 -6.918 -10.366 1.00 2.13 C ATOM 725 NZ LYS A 48 7.962 -7.863 -11.021 1.00 2.73 N ATOM 0 H LYS A 48 12.214 -6.802 -6.449 1.00 0.38 H new ATOM 0 HA LYS A 48 11.207 -5.178 -8.689 1.00 0.40 H new ATOM 0 HB2 LYS A 48 9.384 -6.697 -6.812 1.00 0.44 H new ATOM 0 HB3 LYS A 48 8.925 -5.088 -7.334 1.00 0.44 H new ATOM 0 HG2 LYS A 48 9.383 -5.911 -9.766 1.00 1.11 H new ATOM 0 HG3 LYS A 48 9.450 -7.529 -9.097 1.00 1.11 H new ATOM 0 HD2 LYS A 48 7.157 -7.364 -8.254 1.00 1.38 H new ATOM 0 HD3 LYS A 48 7.085 -5.651 -8.614 1.00 1.38 H new ATOM 0 HE2 LYS A 48 6.015 -7.357 -10.327 1.00 2.13 H new ATOM 0 HE3 LYS A 48 6.934 -6.001 -10.950 1.00 2.13 H new ATOM 0 HZ1 LYS A 48 7.509 -8.288 -11.855 1.00 2.73 H new ATOM 0 HZ2 LYS A 48 8.816 -7.348 -11.316 1.00 2.73 H new ATOM 0 HZ3 LYS A 48 8.224 -8.613 -10.350 1.00 2.73 H new ATOM 739 N GLN A 49 10.581 -4.542 -5.558 1.00 0.33 N ATOM 740 CA GLN A 49 10.785 -3.574 -4.444 1.00 0.30 C ATOM 741 C GLN A 49 10.971 -4.358 -3.136 1.00 0.25 C ATOM 742 O GLN A 49 10.379 -5.403 -2.934 1.00 0.26 O ATOM 743 CB GLN A 49 9.535 -2.675 -4.350 1.00 0.35 C ATOM 744 CG GLN A 49 9.755 -1.369 -5.125 1.00 0.82 C ATOM 745 CD GLN A 49 8.541 -0.457 -4.943 1.00 0.89 C ATOM 746 OE1 GLN A 49 7.462 -0.917 -4.624 1.00 1.53 O ATOM 747 NE2 GLN A 49 8.672 0.828 -5.133 1.00 1.52 N ATOM 0 H GLN A 49 9.827 -5.212 -5.404 1.00 0.33 H new ATOM 0 HA GLN A 49 11.667 -2.958 -4.620 1.00 0.30 H new ATOM 0 HB2 GLN A 49 8.669 -3.202 -4.751 1.00 0.35 H new ATOM 0 HB3 GLN A 49 9.317 -2.453 -3.305 1.00 0.35 H new ATOM 0 HG2 GLN A 49 10.655 -0.869 -4.768 1.00 0.82 H new ATOM 0 HG3 GLN A 49 9.907 -1.583 -6.183 1.00 0.82 H new ATOM 0 HE21 GLN A 49 9.577 1.214 -5.401 1.00 1.52 H new ATOM 0 HE22 GLN A 49 7.869 1.446 -5.014 1.00 1.52 H new ATOM 756 N VAL A 50 11.784 -3.853 -2.243 1.00 0.23 N ATOM 757 CA VAL A 50 12.012 -4.547 -0.938 1.00 0.19 C ATOM 758 C VAL A 50 12.005 -3.510 0.179 1.00 0.16 C ATOM 759 O VAL A 50 12.772 -2.573 0.168 1.00 0.15 O ATOM 760 CB VAL A 50 13.364 -5.268 -0.961 1.00 0.22 C ATOM 761 CG1 VAL A 50 13.457 -6.210 0.242 1.00 0.24 C ATOM 762 CG2 VAL A 50 13.491 -6.073 -2.262 1.00 0.31 C ATOM 0 H VAL A 50 12.304 -2.983 -2.363 1.00 0.23 H new ATOM 0 HA VAL A 50 11.223 -5.280 -0.770 1.00 0.19 H new ATOM 0 HB VAL A 50 14.171 -4.537 -0.910 1.00 0.22 H new ATOM 0 HG11 VAL A 50 14.418 -6.724 0.228 1.00 0.24 H new ATOM 0 HG12 VAL A 50 13.367 -5.634 1.163 1.00 0.24 H new ATOM 0 HG13 VAL A 50 12.652 -6.944 0.193 1.00 0.24 H new ATOM 0 HG21 VAL A 50 14.452 -6.586 -2.280 1.00 0.31 H new ATOM 0 HG22 VAL A 50 12.687 -6.807 -2.316 1.00 0.31 H new ATOM 0 HG23 VAL A 50 13.424 -5.398 -3.115 1.00 0.31 H new ATOM 772 N CYS A 51 11.143 -3.673 1.143 1.00 0.16 N ATOM 773 CA CYS A 51 11.077 -2.691 2.257 1.00 0.15 C ATOM 774 C CYS A 51 12.296 -2.860 3.158 1.00 0.14 C ATOM 775 O CYS A 51 12.868 -3.928 3.253 1.00 0.16 O ATOM 776 CB CYS A 51 9.804 -2.935 3.067 1.00 0.17 C ATOM 777 SG CYS A 51 8.356 -2.689 2.009 1.00 0.21 S ATOM 0 H CYS A 51 10.481 -4.446 1.206 1.00 0.16 H new ATOM 0 HA CYS A 51 11.065 -1.679 1.853 1.00 0.15 H new ATOM 0 HB2 CYS A 51 9.805 -3.948 3.469 1.00 0.17 H new ATOM 0 HB3 CYS A 51 9.766 -2.254 3.917 1.00 0.17 H new ATOM 782 N ALA A 52 12.707 -1.808 3.813 1.00 0.12 N ATOM 783 CA ALA A 52 13.902 -1.892 4.707 1.00 0.13 C ATOM 784 C ALA A 52 13.683 -1.005 5.934 1.00 0.15 C ATOM 785 O ALA A 52 13.240 0.124 5.829 1.00 0.15 O ATOM 786 CB ALA A 52 15.136 -1.405 3.945 1.00 0.11 C ATOM 0 H ALA A 52 12.266 -0.889 3.768 1.00 0.12 H new ATOM 0 HA ALA A 52 14.049 -2.924 5.025 1.00 0.13 H new ATOM 0 HB1 ALA A 52 16.011 -1.464 4.593 1.00 0.11 H new ATOM 0 HB2 ALA A 52 15.292 -2.031 3.067 1.00 0.11 H new ATOM 0 HB3 ALA A 52 14.986 -0.372 3.632 1.00 0.11 H new ATOM 792 N ASP A 53 13.988 -1.512 7.098 1.00 0.18 N ATOM 793 CA ASP A 53 13.801 -0.709 8.340 1.00 0.22 C ATOM 794 C ASP A 53 14.817 0.460 8.354 1.00 0.21 C ATOM 795 O ASP A 53 16.005 0.204 8.385 1.00 0.22 O ATOM 796 CB ASP A 53 14.065 -1.607 9.552 1.00 0.27 C ATOM 797 CG ASP A 53 13.594 -0.900 10.824 1.00 1.35 C ATOM 798 OD1 ASP A 53 13.630 0.319 10.849 1.00 2.17 O ATOM 799 OD2 ASP A 53 13.205 -1.589 11.752 1.00 2.10 O ATOM 0 H ASP A 53 14.360 -2.451 7.242 1.00 0.18 H new ATOM 0 HA ASP A 53 12.785 -0.315 8.375 1.00 0.22 H new ATOM 0 HB2 ASP A 53 13.541 -2.556 9.436 1.00 0.27 H new ATOM 0 HB3 ASP A 53 15.128 -1.836 9.623 1.00 0.27 H new ATOM 804 N PRO A 54 14.365 1.710 8.332 1.00 0.22 N ATOM 805 CA PRO A 54 15.307 2.850 8.345 1.00 0.24 C ATOM 806 C PRO A 54 16.165 2.811 9.620 1.00 0.28 C ATOM 807 O PRO A 54 17.086 3.587 9.784 1.00 0.30 O ATOM 808 CB PRO A 54 14.415 4.112 8.313 1.00 0.27 C ATOM 809 CG PRO A 54 12.934 3.640 8.260 1.00 0.27 C ATOM 810 CD PRO A 54 12.933 2.095 8.294 1.00 0.24 C ATOM 0 HA PRO A 54 15.998 2.829 7.502 1.00 0.24 H new ATOM 0 HB2 PRO A 54 14.590 4.727 9.196 1.00 0.27 H new ATOM 0 HB3 PRO A 54 14.652 4.727 7.445 1.00 0.27 H new ATOM 0 HG2 PRO A 54 12.374 4.042 9.104 1.00 0.27 H new ATOM 0 HG3 PRO A 54 12.449 4.003 7.354 1.00 0.27 H new ATOM 0 HD2 PRO A 54 12.400 1.720 9.168 1.00 0.24 H new ATOM 0 HD3 PRO A 54 12.436 1.681 7.416 1.00 0.24 H new ATOM 818 N SER A 55 15.857 1.927 10.524 1.00 0.31 N ATOM 819 CA SER A 55 16.639 1.852 11.791 1.00 0.36 C ATOM 820 C SER A 55 17.981 1.156 11.540 1.00 0.36 C ATOM 821 O SER A 55 18.906 1.282 12.317 1.00 0.40 O ATOM 822 CB SER A 55 15.846 1.061 12.833 1.00 0.40 C ATOM 823 OG SER A 55 14.499 1.512 12.837 1.00 1.42 O ATOM 0 H SER A 55 15.097 1.251 10.442 1.00 0.31 H new ATOM 0 HA SER A 55 16.822 2.863 12.156 1.00 0.36 H new ATOM 0 HB2 SER A 55 15.885 -0.004 12.605 1.00 0.40 H new ATOM 0 HB3 SER A 55 16.289 1.192 13.820 1.00 0.40 H new ATOM 0 HG SER A 55 13.979 0.995 12.187 1.00 1.42 H new ATOM 829 N GLU A 56 18.101 0.427 10.463 1.00 0.33 N ATOM 830 CA GLU A 56 19.392 -0.265 10.176 1.00 0.34 C ATOM 831 C GLU A 56 20.364 0.731 9.530 1.00 0.33 C ATOM 832 O GLU A 56 20.104 1.289 8.482 1.00 0.29 O ATOM 833 CB GLU A 56 19.145 -1.446 9.235 1.00 0.31 C ATOM 834 CG GLU A 56 18.615 -2.643 10.033 1.00 0.35 C ATOM 835 CD GLU A 56 19.754 -3.258 10.848 1.00 1.30 C ATOM 836 OE1 GLU A 56 20.513 -4.026 10.281 1.00 2.01 O ATOM 837 OE2 GLU A 56 19.848 -2.950 12.025 1.00 2.08 O ATOM 0 H GLU A 56 17.365 0.281 9.772 1.00 0.33 H new ATOM 0 HA GLU A 56 19.824 -0.640 11.104 1.00 0.34 H new ATOM 0 HB2 GLU A 56 18.428 -1.165 8.464 1.00 0.31 H new ATOM 0 HB3 GLU A 56 20.070 -1.717 8.726 1.00 0.31 H new ATOM 0 HG2 GLU A 56 17.810 -2.324 10.696 1.00 0.35 H new ATOM 0 HG3 GLU A 56 18.195 -3.387 9.356 1.00 0.35 H new ATOM 844 N SER A 57 21.472 0.961 10.171 1.00 0.37 N ATOM 845 CA SER A 57 22.480 1.927 9.645 1.00 0.38 C ATOM 846 C SER A 57 22.812 1.652 8.175 1.00 0.35 C ATOM 847 O SER A 57 22.983 2.569 7.397 1.00 0.34 O ATOM 848 CB SER A 57 23.759 1.816 10.475 1.00 0.44 C ATOM 849 OG SER A 57 24.304 0.512 10.325 1.00 1.37 O ATOM 0 H SER A 57 21.729 0.515 11.052 1.00 0.37 H new ATOM 0 HA SER A 57 22.059 2.930 9.716 1.00 0.38 H new ATOM 0 HB2 SER A 57 24.482 2.564 10.151 1.00 0.44 H new ATOM 0 HB3 SER A 57 23.543 2.014 11.525 1.00 0.44 H new ATOM 0 HG SER A 57 25.125 0.438 10.855 1.00 1.37 H new ATOM 855 N TRP A 58 22.933 0.413 7.783 1.00 0.34 N ATOM 856 CA TRP A 58 23.285 0.137 6.362 1.00 0.32 C ATOM 857 C TRP A 58 22.212 0.708 5.443 1.00 0.27 C ATOM 858 O TRP A 58 22.487 1.114 4.334 1.00 0.27 O ATOM 859 CB TRP A 58 23.477 -1.369 6.129 1.00 0.34 C ATOM 860 CG TRP A 58 22.168 -2.093 6.049 1.00 0.31 C ATOM 861 CD1 TRP A 58 21.664 -2.880 7.028 1.00 0.32 C ATOM 862 CD2 TRP A 58 21.214 -2.151 4.946 1.00 0.27 C ATOM 863 NE1 TRP A 58 20.465 -3.419 6.598 1.00 0.29 N ATOM 864 CE2 TRP A 58 20.138 -2.996 5.329 1.00 0.26 C ATOM 865 CE3 TRP A 58 21.170 -1.557 3.662 1.00 0.27 C ATOM 866 CZ2 TRP A 58 19.057 -3.247 4.471 1.00 0.25 C ATOM 867 CZ3 TRP A 58 20.085 -1.808 2.795 1.00 0.27 C ATOM 868 CH2 TRP A 58 19.030 -2.650 3.201 1.00 0.26 C ATOM 0 H TRP A 58 22.806 -0.408 8.375 1.00 0.34 H new ATOM 0 HA TRP A 58 24.232 0.625 6.131 1.00 0.32 H new ATOM 0 HB2 TRP A 58 24.035 -1.525 5.206 1.00 0.34 H new ATOM 0 HB3 TRP A 58 24.075 -1.788 6.938 1.00 0.34 H new ATOM 0 HD1 TRP A 58 22.123 -3.058 7.989 1.00 0.32 H new ATOM 0 HE1 TRP A 58 19.892 -4.054 7.154 1.00 0.29 H new ATOM 0 HE3 TRP A 58 21.972 -0.907 3.344 1.00 0.27 H new ATOM 0 HZ2 TRP A 58 18.252 -3.895 4.785 1.00 0.25 H new ATOM 0 HZ3 TRP A 58 20.063 -1.353 1.816 1.00 0.27 H new ATOM 0 HH2 TRP A 58 18.201 -2.836 2.535 1.00 0.26 H new ATOM 879 N VAL A 59 20.996 0.771 5.896 1.00 0.24 N ATOM 880 CA VAL A 59 19.928 1.341 5.037 1.00 0.20 C ATOM 881 C VAL A 59 20.218 2.821 4.827 1.00 0.22 C ATOM 882 O VAL A 59 20.169 3.324 3.724 1.00 0.21 O ATOM 883 CB VAL A 59 18.578 1.163 5.723 1.00 0.19 C ATOM 884 CG1 VAL A 59 17.472 1.791 4.868 1.00 0.18 C ATOM 885 CG2 VAL A 59 18.317 -0.332 5.893 1.00 0.19 C ATOM 0 H VAL A 59 20.696 0.455 6.818 1.00 0.24 H new ATOM 0 HA VAL A 59 19.901 0.831 4.074 1.00 0.20 H new ATOM 0 HB VAL A 59 18.586 1.654 6.696 1.00 0.19 H new ATOM 0 HG11 VAL A 59 16.510 1.660 5.364 1.00 0.18 H new ATOM 0 HG12 VAL A 59 17.672 2.855 4.739 1.00 0.18 H new ATOM 0 HG13 VAL A 59 17.446 1.305 3.893 1.00 0.18 H new ATOM 0 HG21 VAL A 59 17.354 -0.480 6.383 1.00 0.19 H new ATOM 0 HG22 VAL A 59 18.304 -0.813 4.915 1.00 0.19 H new ATOM 0 HG23 VAL A 59 19.106 -0.772 6.503 1.00 0.19 H new ATOM 895 N GLN A 60 20.540 3.518 5.876 1.00 0.25 N ATOM 896 CA GLN A 60 20.856 4.964 5.725 1.00 0.28 C ATOM 897 C GLN A 60 22.122 5.114 4.876 1.00 0.30 C ATOM 898 O GLN A 60 22.243 6.020 4.075 1.00 0.31 O ATOM 899 CB GLN A 60 21.083 5.587 7.104 1.00 0.33 C ATOM 900 CG GLN A 60 21.299 7.094 6.955 1.00 1.25 C ATOM 901 CD GLN A 60 21.439 7.731 8.338 1.00 1.65 C ATOM 902 OE1 GLN A 60 20.684 7.426 9.239 1.00 2.33 O ATOM 903 NE2 GLN A 60 22.381 8.610 8.546 1.00 2.14 N ATOM 0 H GLN A 60 20.598 3.153 6.827 1.00 0.25 H new ATOM 0 HA GLN A 60 20.025 5.473 5.236 1.00 0.28 H new ATOM 0 HB2 GLN A 60 20.225 5.394 7.748 1.00 0.33 H new ATOM 0 HB3 GLN A 60 21.949 5.130 7.583 1.00 0.33 H new ATOM 0 HG2 GLN A 60 22.193 7.287 6.363 1.00 1.25 H new ATOM 0 HG3 GLN A 60 20.460 7.541 6.421 1.00 1.25 H new ATOM 0 HE21 GLN A 60 23.015 8.866 7.790 1.00 2.14 H new ATOM 0 HE22 GLN A 60 22.483 9.041 9.465 1.00 2.14 H new ATOM 912 N GLU A 61 23.067 4.229 5.051 1.00 0.31 N ATOM 913 CA GLU A 61 24.331 4.311 4.261 1.00 0.33 C ATOM 914 C GLU A 61 24.040 4.064 2.778 1.00 0.31 C ATOM 915 O GLU A 61 24.464 4.812 1.919 1.00 0.32 O ATOM 916 CB GLU A 61 25.316 3.254 4.768 1.00 0.35 C ATOM 917 CG GLU A 61 26.674 3.455 4.094 1.00 0.40 C ATOM 918 CD GLU A 61 27.706 2.525 4.734 1.00 1.29 C ATOM 919 OE1 GLU A 61 27.331 1.782 5.628 1.00 2.03 O ATOM 920 OE2 GLU A 61 28.853 2.570 4.321 1.00 1.99 O ATOM 0 H GLU A 61 23.018 3.451 5.709 1.00 0.31 H new ATOM 0 HA GLU A 61 24.762 5.305 4.380 1.00 0.33 H new ATOM 0 HB2 GLU A 61 25.421 3.329 5.850 1.00 0.35 H new ATOM 0 HB3 GLU A 61 24.936 2.255 4.553 1.00 0.35 H new ATOM 0 HG2 GLU A 61 26.596 3.249 3.027 1.00 0.40 H new ATOM 0 HG3 GLU A 61 26.992 4.493 4.196 1.00 0.40 H new ATOM 927 N TYR A 62 23.325 3.016 2.470 1.00 0.28 N ATOM 928 CA TYR A 62 23.013 2.716 1.042 1.00 0.28 C ATOM 929 C TYR A 62 22.196 3.866 0.443 1.00 0.28 C ATOM 930 O TYR A 62 22.361 4.218 -0.708 1.00 0.30 O ATOM 931 CB TYR A 62 22.209 1.406 0.949 1.00 0.25 C ATOM 932 CG TYR A 62 23.136 0.201 0.992 1.00 0.27 C ATOM 933 CD1 TYR A 62 24.101 0.071 2.012 1.00 0.29 C ATOM 934 CD2 TYR A 62 23.022 -0.801 0.004 1.00 0.27 C ATOM 935 CE1 TYR A 62 24.949 -1.055 2.042 1.00 0.32 C ATOM 936 CE2 TYR A 62 23.871 -1.924 0.037 1.00 0.29 C ATOM 937 CZ TYR A 62 24.833 -2.050 1.055 1.00 0.31 C ATOM 938 OH TYR A 62 25.664 -3.152 1.085 1.00 0.34 O ATOM 0 H TYR A 62 22.943 2.354 3.145 1.00 0.28 H new ATOM 0 HA TYR A 62 23.944 2.605 0.486 1.00 0.28 H new ATOM 0 HB2 TYR A 62 21.496 1.352 1.772 1.00 0.25 H new ATOM 0 HB3 TYR A 62 21.631 1.393 0.025 1.00 0.25 H new ATOM 0 HD1 TYR A 62 24.191 0.834 2.771 1.00 0.29 H new ATOM 0 HD2 TYR A 62 22.283 -0.706 -0.778 1.00 0.27 H new ATOM 0 HE1 TYR A 62 25.688 -1.153 2.823 1.00 0.32 H new ATOM 0 HE2 TYR A 62 23.783 -2.689 -0.720 1.00 0.29 H new ATOM 0 HH TYR A 62 25.451 -3.743 0.333 1.00 0.34 H new ATOM 948 N VAL A 63 21.328 4.464 1.210 1.00 0.27 N ATOM 949 CA VAL A 63 20.525 5.591 0.673 1.00 0.28 C ATOM 950 C VAL A 63 21.473 6.739 0.363 1.00 0.32 C ATOM 951 O VAL A 63 21.343 7.422 -0.633 1.00 0.34 O ATOM 952 CB VAL A 63 19.498 6.031 1.720 1.00 0.28 C ATOM 953 CG1 VAL A 63 18.848 7.352 1.291 1.00 0.32 C ATOM 954 CG2 VAL A 63 18.416 4.955 1.854 1.00 0.25 C ATOM 0 H VAL A 63 21.142 4.220 2.183 1.00 0.27 H new ATOM 0 HA VAL A 63 19.995 5.287 -0.230 1.00 0.28 H new ATOM 0 HB VAL A 63 20.000 6.171 2.677 1.00 0.28 H new ATOM 0 HG11 VAL A 63 18.119 7.659 2.041 1.00 0.32 H new ATOM 0 HG12 VAL A 63 19.615 8.121 1.195 1.00 0.32 H new ATOM 0 HG13 VAL A 63 18.348 7.217 0.332 1.00 0.32 H new ATOM 0 HG21 VAL A 63 17.684 5.266 2.599 1.00 0.25 H new ATOM 0 HG22 VAL A 63 17.920 4.816 0.893 1.00 0.25 H new ATOM 0 HG23 VAL A 63 18.873 4.016 2.165 1.00 0.25 H new ATOM 964 N TYR A 64 22.434 6.947 1.213 1.00 0.34 N ATOM 965 CA TYR A 64 23.405 8.043 0.984 1.00 0.38 C ATOM 966 C TYR A 64 24.170 7.769 -0.309 1.00 0.38 C ATOM 967 O TYR A 64 24.392 8.650 -1.114 1.00 0.41 O ATOM 968 CB TYR A 64 24.387 8.097 2.159 1.00 0.41 C ATOM 969 CG TYR A 64 25.081 9.440 2.191 1.00 0.46 C ATOM 970 CD1 TYR A 64 24.396 10.575 2.665 1.00 0.48 C ATOM 971 CD2 TYR A 64 26.413 9.556 1.747 1.00 0.49 C ATOM 972 CE1 TYR A 64 25.043 11.825 2.697 1.00 0.52 C ATOM 973 CE2 TYR A 64 27.059 10.806 1.777 1.00 0.54 C ATOM 974 CZ TYR A 64 26.375 11.941 2.253 1.00 0.55 C ATOM 975 OH TYR A 64 27.009 13.167 2.284 1.00 0.60 O ATOM 0 H TYR A 64 22.588 6.401 2.061 1.00 0.34 H new ATOM 0 HA TYR A 64 22.881 8.995 0.904 1.00 0.38 H new ATOM 0 HB2 TYR A 64 23.855 7.931 3.096 1.00 0.41 H new ATOM 0 HB3 TYR A 64 25.124 7.300 2.065 1.00 0.41 H new ATOM 0 HD1 TYR A 64 23.374 10.487 3.004 1.00 0.48 H new ATOM 0 HD2 TYR A 64 26.939 8.685 1.383 1.00 0.49 H new ATOM 0 HE1 TYR A 64 24.518 12.695 3.062 1.00 0.52 H new ATOM 0 HE2 TYR A 64 28.080 10.895 1.435 1.00 0.54 H new ATOM 0 HH TYR A 64 27.923 13.071 1.944 1.00 0.60 H new ATOM 985 N ASP A 65 24.570 6.548 -0.505 1.00 0.36 N ATOM 986 CA ASP A 65 25.326 6.194 -1.738 1.00 0.37 C ATOM 987 C ASP A 65 24.452 6.459 -2.967 1.00 0.37 C ATOM 988 O ASP A 65 24.933 6.849 -4.013 1.00 0.40 O ATOM 989 CB ASP A 65 25.702 4.709 -1.684 1.00 0.35 C ATOM 990 CG ASP A 65 26.923 4.518 -0.780 1.00 0.39 C ATOM 991 OD1 ASP A 65 26.817 4.818 0.397 1.00 1.11 O ATOM 992 OD2 ASP A 65 27.943 4.073 -1.281 1.00 1.15 O ATOM 0 H ASP A 65 24.406 5.774 0.138 1.00 0.36 H new ATOM 0 HA ASP A 65 26.230 6.799 -1.804 1.00 0.37 H new ATOM 0 HB2 ASP A 65 24.863 4.125 -1.306 1.00 0.35 H new ATOM 0 HB3 ASP A 65 25.919 4.342 -2.687 1.00 0.35 H new ATOM 997 N LEU A 66 23.174 6.248 -2.847 1.00 0.33 N ATOM 998 CA LEU A 66 22.262 6.482 -4.001 1.00 0.34 C ATOM 999 C LEU A 66 22.109 7.987 -4.237 1.00 0.39 C ATOM 1000 O LEU A 66 21.911 8.434 -5.348 1.00 0.42 O ATOM 1001 CB LEU A 66 20.896 5.857 -3.683 1.00 0.31 C ATOM 1002 CG LEU A 66 20.931 4.337 -3.950 1.00 0.28 C ATOM 1003 CD1 LEU A 66 19.822 3.647 -3.152 1.00 0.24 C ATOM 1004 CD2 LEU A 66 20.704 4.050 -5.443 1.00 0.30 C ATOM 0 H LEU A 66 22.718 5.922 -1.995 1.00 0.33 H new ATOM 0 HA LEU A 66 22.673 6.026 -4.902 1.00 0.34 H new ATOM 0 HB2 LEU A 66 20.635 6.045 -2.641 1.00 0.31 H new ATOM 0 HB3 LEU A 66 20.123 6.323 -4.294 1.00 0.31 H new ATOM 0 HG LEU A 66 21.907 3.958 -3.648 1.00 0.28 H new ATOM 0 HD11 LEU A 66 19.850 2.574 -3.343 1.00 0.24 H new ATOM 0 HD12 LEU A 66 19.972 3.830 -2.088 1.00 0.24 H new ATOM 0 HD13 LEU A 66 18.854 4.045 -3.456 1.00 0.24 H new ATOM 0 HD21 LEU A 66 20.732 2.974 -5.615 1.00 0.30 H new ATOM 0 HD22 LEU A 66 19.732 4.441 -5.745 1.00 0.30 H new ATOM 0 HD23 LEU A 66 21.487 4.531 -6.029 1.00 0.30 H new ATOM 1016 N GLU A 67 22.209 8.770 -3.201 1.00 0.40 N ATOM 1017 CA GLU A 67 22.078 10.246 -3.369 1.00 0.45 C ATOM 1018 C GLU A 67 23.334 10.783 -4.051 1.00 0.50 C ATOM 1019 O GLU A 67 23.305 11.786 -4.736 1.00 0.55 O ATOM 1020 CB GLU A 67 21.930 10.907 -1.998 1.00 0.46 C ATOM 1021 CG GLU A 67 20.555 10.584 -1.422 1.00 0.44 C ATOM 1022 CD GLU A 67 20.313 11.428 -0.169 1.00 1.13 C ATOM 1023 OE1 GLU A 67 21.245 11.588 0.602 1.00 1.81 O ATOM 1024 OE2 GLU A 67 19.200 11.898 -0.001 1.00 1.88 O ATOM 0 H GLU A 67 22.376 8.454 -2.246 1.00 0.40 H new ATOM 0 HA GLU A 67 21.200 10.468 -3.976 1.00 0.45 H new ATOM 0 HB2 GLU A 67 22.710 10.551 -1.325 1.00 0.46 H new ATOM 0 HB3 GLU A 67 22.054 11.986 -2.088 1.00 0.46 H new ATOM 0 HG2 GLU A 67 19.782 10.786 -2.164 1.00 0.44 H new ATOM 0 HG3 GLU A 67 20.492 9.524 -1.177 1.00 0.44 H new ATOM 1116 N SER B 5 10.932 -9.594 -3.923 1.00 0.44 N ATOM 1117 CA SER B 5 11.492 -9.978 -2.592 1.00 0.30 C ATOM 1118 C SER B 5 10.476 -9.637 -1.486 1.00 0.27 C ATOM 1119 O SER B 5 9.907 -10.513 -0.865 1.00 0.30 O ATOM 1120 CB SER B 5 12.820 -9.236 -2.367 1.00 0.49 C ATOM 1121 OG SER B 5 13.854 -10.191 -2.161 1.00 1.52 O ATOM 0 HA SER B 5 11.683 -11.051 -2.563 1.00 0.30 H new ATOM 0 HB2 SER B 5 13.052 -8.610 -3.228 1.00 0.49 H new ATOM 0 HB3 SER B 5 12.741 -8.575 -1.504 1.00 0.49 H new ATOM 0 HG SER B 5 14.705 -9.726 -2.018 1.00 1.52 H new ATOM 1127 N ASP B 6 10.248 -8.374 -1.237 1.00 0.24 N ATOM 1128 CA ASP B 6 9.272 -7.983 -0.171 1.00 0.23 C ATOM 1129 C ASP B 6 8.763 -6.558 -0.437 1.00 0.21 C ATOM 1130 O ASP B 6 9.111 -5.645 0.285 1.00 0.20 O ATOM 1131 CB ASP B 6 9.959 -8.019 1.200 1.00 0.25 C ATOM 1132 CG ASP B 6 10.734 -9.329 1.354 1.00 1.26 C ATOM 1133 OD1 ASP B 6 10.137 -10.299 1.789 1.00 2.03 O ATOM 1134 OD2 ASP B 6 11.912 -9.339 1.035 1.00 2.00 O ATOM 0 H ASP B 6 10.693 -7.596 -1.723 1.00 0.24 H new ATOM 0 HA ASP B 6 8.436 -8.682 -0.180 1.00 0.23 H new ATOM 0 HB2 ASP B 6 10.636 -7.171 1.301 1.00 0.25 H new ATOM 0 HB3 ASP B 6 9.216 -7.930 1.992 1.00 0.25 H new ATOM 1139 N PRO B 7 7.960 -6.398 -1.468 1.00 0.22 N ATOM 1140 CA PRO B 7 7.417 -5.072 -1.825 1.00 0.22 C ATOM 1141 C PRO B 7 6.471 -4.571 -0.709 1.00 0.20 C ATOM 1142 O PRO B 7 6.104 -5.332 0.164 1.00 0.20 O ATOM 1143 CB PRO B 7 6.657 -5.303 -3.154 1.00 0.25 C ATOM 1144 CG PRO B 7 6.742 -6.823 -3.487 1.00 0.27 C ATOM 1145 CD PRO B 7 7.538 -7.505 -2.353 1.00 0.26 C ATOM 0 HA PRO B 7 8.190 -4.311 -1.936 1.00 0.22 H new ATOM 0 HB2 PRO B 7 5.617 -4.989 -3.060 1.00 0.25 H new ATOM 0 HB3 PRO B 7 7.098 -4.710 -3.955 1.00 0.25 H new ATOM 0 HG2 PRO B 7 5.744 -7.254 -3.567 1.00 0.27 H new ATOM 0 HG3 PRO B 7 7.234 -6.978 -4.447 1.00 0.27 H new ATOM 0 HD2 PRO B 7 6.922 -8.227 -1.817 1.00 0.26 H new ATOM 0 HD3 PRO B 7 8.398 -8.048 -2.745 1.00 0.26 H new ATOM 1153 N PRO B 8 6.100 -3.305 -0.769 1.00 0.21 N ATOM 1154 CA PRO B 8 5.194 -2.710 0.239 1.00 0.22 C ATOM 1155 C PRO B 8 3.827 -3.412 0.200 1.00 0.22 C ATOM 1156 O PRO B 8 3.699 -4.522 -0.279 1.00 0.22 O ATOM 1157 CB PRO B 8 5.069 -1.221 -0.171 1.00 0.24 C ATOM 1158 CG PRO B 8 5.793 -1.054 -1.539 1.00 0.26 C ATOM 1159 CD PRO B 8 6.547 -2.370 -1.826 1.00 0.24 C ATOM 0 HA PRO B 8 5.569 -2.817 1.257 1.00 0.22 H new ATOM 0 HB2 PRO B 8 4.021 -0.932 -0.253 1.00 0.24 H new ATOM 0 HB3 PRO B 8 5.519 -0.576 0.583 1.00 0.24 H new ATOM 0 HG2 PRO B 8 5.074 -0.843 -2.331 1.00 0.26 H new ATOM 0 HG3 PRO B 8 6.486 -0.214 -1.506 1.00 0.26 H new ATOM 0 HD2 PRO B 8 6.309 -2.753 -2.818 1.00 0.24 H new ATOM 0 HD3 PRO B 8 7.626 -2.222 -1.792 1.00 0.24 H new ATOM 1167 N THR B 9 2.805 -2.766 0.702 1.00 0.23 N ATOM 1168 CA THR B 9 1.447 -3.386 0.698 1.00 0.24 C ATOM 1169 C THR B 9 0.383 -2.290 0.711 1.00 0.24 C ATOM 1170 O THR B 9 0.397 -1.401 1.541 1.00 0.25 O ATOM 1171 CB THR B 9 1.286 -4.263 1.942 1.00 0.25 C ATOM 1172 OG1 THR B 9 2.454 -5.054 2.115 1.00 0.26 O ATOM 1173 CG2 THR B 9 0.068 -5.176 1.781 1.00 0.29 C ATOM 0 H THR B 9 2.854 -1.835 1.115 1.00 0.23 H new ATOM 0 HA THR B 9 1.330 -3.995 -0.198 1.00 0.24 H new ATOM 0 HB THR B 9 1.142 -3.627 2.815 1.00 0.25 H new ATOM 0 HG1 THR B 9 2.407 -5.524 2.974 1.00 0.26 H new ATOM 0 HG21 THR B 9 -0.041 -5.798 2.670 1.00 0.29 H new ATOM 0 HG22 THR B 9 -0.828 -4.568 1.651 1.00 0.29 H new ATOM 0 HG23 THR B 9 0.204 -5.813 0.907 1.00 0.29 H new ATOM 1181 N ALA B 10 -0.541 -2.349 -0.205 1.00 0.23 N ATOM 1182 CA ALA B 10 -1.613 -1.318 -0.256 1.00 0.23 C ATOM 1183 C ALA B 10 -2.537 -1.476 0.951 1.00 0.22 C ATOM 1184 O ALA B 10 -3.596 -2.067 0.858 1.00 0.27 O ATOM 1185 CB ALA B 10 -2.422 -1.502 -1.538 1.00 0.23 C ATOM 0 H ALA B 10 -0.600 -3.070 -0.924 1.00 0.23 H new ATOM 0 HA ALA B 10 -1.164 -0.325 -0.239 1.00 0.23 H new ATOM 0 HB1 ALA B 10 -3.210 -0.750 -1.582 1.00 0.23 H new ATOM 0 HB2 ALA B 10 -1.766 -1.392 -2.401 1.00 0.23 H new ATOM 0 HB3 ALA B 10 -2.869 -2.496 -1.547 1.00 0.23 H new ATOM 1191 N CYS B 11 -2.151 -0.941 2.082 1.00 0.25 N ATOM 1192 CA CYS B 11 -3.003 -1.040 3.308 1.00 0.25 C ATOM 1193 C CYS B 11 -3.590 0.341 3.607 1.00 0.25 C ATOM 1194 O CYS B 11 -2.910 1.345 3.520 1.00 0.26 O ATOM 1195 CB CYS B 11 -2.145 -1.501 4.490 1.00 0.25 C ATOM 1196 SG CYS B 11 -1.284 -3.034 4.052 1.00 0.34 S ATOM 0 H CYS B 11 -1.274 -0.435 2.210 1.00 0.25 H new ATOM 0 HA CYS B 11 -3.806 -1.759 3.149 1.00 0.25 H new ATOM 0 HB2 CYS B 11 -1.423 -0.728 4.752 1.00 0.25 H new ATOM 0 HB3 CYS B 11 -2.772 -1.662 5.367 1.00 0.25 H new ATOM 1201 N CYS B 12 -4.848 0.405 3.948 1.00 0.24 N ATOM 1202 CA CYS B 12 -5.471 1.727 4.240 1.00 0.24 C ATOM 1203 C CYS B 12 -4.957 2.251 5.582 1.00 0.24 C ATOM 1204 O CYS B 12 -4.717 1.497 6.504 1.00 0.27 O ATOM 1205 CB CYS B 12 -6.994 1.574 4.303 1.00 0.24 C ATOM 1206 SG CYS B 12 -7.621 1.090 2.675 1.00 0.24 S ATOM 0 H CYS B 12 -5.470 -0.399 4.037 1.00 0.24 H new ATOM 0 HA CYS B 12 -5.209 2.431 3.450 1.00 0.24 H new ATOM 0 HB2 CYS B 12 -7.264 0.824 5.046 1.00 0.24 H new ATOM 0 HB3 CYS B 12 -7.452 2.512 4.616 1.00 0.24 H new ATOM 1211 N PHE B 13 -4.791 3.545 5.697 1.00 0.25 N ATOM 1212 CA PHE B 13 -4.298 4.140 6.977 1.00 0.27 C ATOM 1213 C PHE B 13 -5.483 4.755 7.723 1.00 0.24 C ATOM 1214 O PHE B 13 -5.432 4.990 8.914 1.00 0.26 O ATOM 1215 CB PHE B 13 -3.278 5.236 6.666 1.00 0.30 C ATOM 1216 CG PHE B 13 -3.956 6.338 5.890 1.00 0.31 C ATOM 1217 CD1 PHE B 13 -4.192 6.183 4.511 1.00 0.31 C ATOM 1218 CD2 PHE B 13 -4.357 7.517 6.546 1.00 0.35 C ATOM 1219 CE1 PHE B 13 -4.829 7.208 3.788 1.00 0.34 C ATOM 1220 CE2 PHE B 13 -4.995 8.542 5.822 1.00 0.37 C ATOM 1221 CZ PHE B 13 -5.230 8.388 4.442 1.00 0.37 C ATOM 0 H PHE B 13 -4.977 4.219 4.954 1.00 0.25 H new ATOM 0 HA PHE B 13 -3.830 3.369 7.589 1.00 0.27 H new ATOM 0 HB2 PHE B 13 -2.858 5.631 7.591 1.00 0.30 H new ATOM 0 HB3 PHE B 13 -2.449 4.825 6.089 1.00 0.30 H new ATOM 0 HD1 PHE B 13 -3.884 5.278 4.008 1.00 0.31 H new ATOM 0 HD2 PHE B 13 -4.175 7.635 7.604 1.00 0.35 H new ATOM 0 HE1 PHE B 13 -5.011 7.089 2.730 1.00 0.34 H new ATOM 0 HE2 PHE B 13 -5.304 9.446 6.325 1.00 0.37 H new ATOM 0 HZ PHE B 13 -5.718 9.175 3.886 1.00 0.37 H new ATOM 1231 N SER B 14 -6.551 5.015 7.021 1.00 0.21 N ATOM 1232 CA SER B 14 -7.752 5.615 7.666 1.00 0.20 C ATOM 1233 C SER B 14 -8.984 5.279 6.826 1.00 0.18 C ATOM 1234 O SER B 14 -9.049 4.243 6.195 1.00 0.17 O ATOM 1235 CB SER B 14 -7.583 7.134 7.746 1.00 0.20 C ATOM 1236 OG SER B 14 -7.528 7.669 6.431 1.00 0.25 O ATOM 0 H SER B 14 -6.644 4.836 6.021 1.00 0.21 H new ATOM 0 HA SER B 14 -7.872 5.215 8.673 1.00 0.20 H new ATOM 0 HB2 SER B 14 -8.414 7.576 8.296 1.00 0.20 H new ATOM 0 HB3 SER B 14 -6.672 7.382 8.291 1.00 0.20 H new ATOM 0 HG SER B 14 -6.642 7.502 6.047 1.00 0.25 H new ATOM 1242 N TYR B 15 -9.965 6.140 6.810 1.00 0.19 N ATOM 1243 CA TYR B 15 -11.192 5.859 6.007 1.00 0.20 C ATOM 1244 C TYR B 15 -11.866 7.177 5.629 1.00 0.24 C ATOM 1245 O TYR B 15 -11.632 8.201 6.240 1.00 0.29 O ATOM 1246 CB TYR B 15 -12.166 5.012 6.837 1.00 0.22 C ATOM 1247 CG TYR B 15 -11.403 3.958 7.603 1.00 0.21 C ATOM 1248 CD1 TYR B 15 -11.053 2.747 6.977 1.00 0.21 C ATOM 1249 CD2 TYR B 15 -11.040 4.190 8.944 1.00 0.25 C ATOM 1250 CE1 TYR B 15 -10.341 1.765 7.694 1.00 0.23 C ATOM 1251 CE2 TYR B 15 -10.327 3.208 9.660 1.00 0.28 C ATOM 1252 CZ TYR B 15 -9.978 1.996 9.035 1.00 0.27 C ATOM 1253 OH TYR B 15 -9.281 1.034 9.736 1.00 0.32 O ATOM 0 H TYR B 15 -9.971 7.025 7.317 1.00 0.19 H new ATOM 0 HA TYR B 15 -10.916 5.316 5.103 1.00 0.20 H new ATOM 0 HB2 TYR B 15 -12.718 5.649 7.528 1.00 0.22 H new ATOM 0 HB3 TYR B 15 -12.900 4.540 6.184 1.00 0.22 H new ATOM 0 HD1 TYR B 15 -11.330 2.571 5.948 1.00 0.21 H new ATOM 0 HD2 TYR B 15 -11.308 5.120 9.423 1.00 0.25 H new ATOM 0 HE1 TYR B 15 -10.074 0.835 7.215 1.00 0.23 H new ATOM 0 HE2 TYR B 15 -10.048 3.385 10.688 1.00 0.28 H new ATOM 0 HH TYR B 15 -9.109 1.353 10.647 1.00 0.32 H new ATOM 1263 N THR B 16 -12.708 7.161 4.630 1.00 0.22 N ATOM 1264 CA THR B 16 -13.401 8.419 4.232 1.00 0.28 C ATOM 1265 C THR B 16 -14.216 8.927 5.426 1.00 0.32 C ATOM 1266 O THR B 16 -13.928 8.601 6.560 1.00 0.38 O ATOM 1267 CB THR B 16 -14.309 8.150 3.023 1.00 0.28 C ATOM 1268 OG1 THR B 16 -15.024 9.332 2.691 1.00 0.39 O ATOM 1269 CG2 THR B 16 -15.298 7.028 3.344 1.00 0.27 C ATOM 0 H THR B 16 -12.944 6.337 4.077 1.00 0.22 H new ATOM 0 HA THR B 16 -12.674 9.179 3.946 1.00 0.28 H new ATOM 0 HB THR B 16 -13.691 7.847 2.178 1.00 0.28 H new ATOM 0 HG1 THR B 16 -15.601 9.159 1.918 1.00 0.39 H new ATOM 0 HG21 THR B 16 -15.936 6.847 2.479 1.00 0.27 H new ATOM 0 HG22 THR B 16 -14.749 6.118 3.587 1.00 0.27 H new ATOM 0 HG23 THR B 16 -15.914 7.319 4.195 1.00 0.27 H new ATOM 1277 N ALA B 17 -15.224 9.723 5.194 1.00 0.36 N ATOM 1278 CA ALA B 17 -16.041 10.248 6.330 1.00 0.42 C ATOM 1279 C ALA B 17 -17.498 10.367 5.893 1.00 0.45 C ATOM 1280 O ALA B 17 -18.309 10.976 6.561 1.00 0.63 O ATOM 1281 CB ALA B 17 -15.519 11.629 6.728 1.00 0.50 C ATOM 0 H ALA B 17 -15.519 10.034 4.268 1.00 0.36 H new ATOM 0 HA ALA B 17 -15.969 9.568 7.179 1.00 0.42 H new ATOM 0 HB1 ALA B 17 -16.111 12.017 7.557 1.00 0.50 H new ATOM 0 HB2 ALA B 17 -14.476 11.549 7.034 1.00 0.50 H new ATOM 0 HB3 ALA B 17 -15.597 12.306 5.878 1.00 0.50 H new ATOM 1287 N ARG B 18 -17.838 9.788 4.773 1.00 0.47 N ATOM 1288 CA ARG B 18 -19.244 9.866 4.281 1.00 0.48 C ATOM 1289 C ARG B 18 -19.624 8.552 3.597 1.00 0.41 C ATOM 1290 O ARG B 18 -18.917 8.062 2.739 1.00 0.37 O ATOM 1291 CB ARG B 18 -19.360 11.013 3.275 1.00 0.53 C ATOM 1292 CG ARG B 18 -18.885 12.318 3.930 1.00 0.70 C ATOM 1293 CD ARG B 18 -19.398 13.517 3.133 1.00 1.15 C ATOM 1294 NE ARG B 18 -19.257 13.259 1.662 1.00 1.96 N ATOM 1295 CZ ARG B 18 -18.104 12.956 1.128 1.00 2.64 C ATOM 1296 NH1 ARG B 18 -17.006 13.042 1.827 1.00 2.84 N ATOM 1297 NH2 ARG B 18 -18.044 12.615 -0.131 1.00 3.63 N ATOM 0 H ARG B 18 -17.200 9.262 4.175 1.00 0.47 H new ATOM 0 HA ARG B 18 -19.915 10.042 5.122 1.00 0.48 H new ATOM 0 HB2 ARG B 18 -18.760 10.798 2.391 1.00 0.53 H new ATOM 0 HB3 ARG B 18 -20.393 11.116 2.942 1.00 0.53 H new ATOM 0 HG2 ARG B 18 -19.246 12.372 4.957 1.00 0.70 H new ATOM 0 HG3 ARG B 18 -17.796 12.338 3.973 1.00 0.70 H new ATOM 0 HD2 ARG B 18 -20.443 13.706 3.378 1.00 1.15 H new ATOM 0 HD3 ARG B 18 -18.840 14.412 3.408 1.00 1.15 H new ATOM 0 HE ARG B 18 -20.081 13.322 1.064 1.00 1.96 H new ATOM 0 HH11 ARG B 18 -17.043 13.348 2.799 1.00 2.84 H new ATOM 0 HH12 ARG B 18 -16.110 12.803 1.401 1.00 2.84 H new ATOM 0 HH21 ARG B 18 -18.895 12.586 -0.693 1.00 3.63 H new ATOM 0 HH22 ARG B 18 -17.146 12.378 -0.553 1.00 3.63 H new ATOM 1311 N LYS B 19 -20.740 7.984 3.960 1.00 0.40 N ATOM 1312 CA LYS B 19 -21.168 6.710 3.320 1.00 0.35 C ATOM 1313 C LYS B 19 -21.385 6.973 1.828 1.00 0.31 C ATOM 1314 O LYS B 19 -22.075 7.895 1.443 1.00 0.33 O ATOM 1315 CB LYS B 19 -22.473 6.231 3.985 1.00 0.38 C ATOM 1316 CG LYS B 19 -23.064 5.008 3.252 1.00 0.40 C ATOM 1317 CD LYS B 19 -24.522 4.797 3.679 1.00 0.62 C ATOM 1318 CE LYS B 19 -24.644 4.821 5.207 1.00 0.97 C ATOM 1319 NZ LYS B 19 -24.683 6.233 5.682 1.00 1.79 N ATOM 0 H LYS B 19 -21.374 8.347 4.672 1.00 0.40 H new ATOM 0 HA LYS B 19 -20.411 5.936 3.442 1.00 0.35 H new ATOM 0 HB2 LYS B 19 -22.279 5.974 5.026 1.00 0.38 H new ATOM 0 HB3 LYS B 19 -23.201 7.042 3.987 1.00 0.38 H new ATOM 0 HG2 LYS B 19 -23.010 5.158 2.174 1.00 0.40 H new ATOM 0 HG3 LYS B 19 -22.477 4.118 3.480 1.00 0.40 H new ATOM 0 HD2 LYS B 19 -25.150 5.576 3.246 1.00 0.62 H new ATOM 0 HD3 LYS B 19 -24.885 3.844 3.294 1.00 0.62 H new ATOM 0 HE2 LYS B 19 -25.547 4.297 5.518 1.00 0.97 H new ATOM 0 HE3 LYS B 19 -23.801 4.298 5.658 1.00 0.97 H new ATOM 0 HZ1 LYS B 19 -23.756 6.492 6.077 1.00 1.79 H new ATOM 0 HZ2 LYS B 19 -24.907 6.862 4.884 1.00 1.79 H new ATOM 0 HZ3 LYS B 19 -25.412 6.332 6.417 1.00 1.79 H new ATOM 1333 N LEU B 20 -20.798 6.168 0.984 1.00 0.27 N ATOM 1334 CA LEU B 20 -20.969 6.374 -0.480 1.00 0.27 C ATOM 1335 C LEU B 20 -22.387 5.921 -0.900 1.00 0.27 C ATOM 1336 O LEU B 20 -22.745 4.792 -0.634 1.00 0.27 O ATOM 1337 CB LEU B 20 -19.948 5.515 -1.231 1.00 0.24 C ATOM 1338 CG LEU B 20 -18.561 5.670 -0.603 1.00 0.23 C ATOM 1339 CD1 LEU B 20 -17.533 4.978 -1.497 1.00 0.22 C ATOM 1340 CD2 LEU B 20 -18.205 7.156 -0.477 1.00 0.27 C ATOM 0 H LEU B 20 -20.208 5.378 1.246 1.00 0.27 H new ATOM 0 HA LEU B 20 -20.825 7.429 -0.716 1.00 0.27 H new ATOM 0 HB2 LEU B 20 -20.252 4.469 -1.204 1.00 0.24 H new ATOM 0 HB3 LEU B 20 -19.915 5.810 -2.280 1.00 0.24 H new ATOM 0 HG LEU B 20 -18.560 5.219 0.389 1.00 0.23 H new ATOM 0 HD11 LEU B 20 -16.541 5.082 -1.059 1.00 0.22 H new ATOM 0 HD12 LEU B 20 -17.781 3.920 -1.585 1.00 0.22 H new ATOM 0 HD13 LEU B 20 -17.543 5.437 -2.486 1.00 0.22 H new ATOM 0 HD21 LEU B 20 -17.216 7.257 -0.029 1.00 0.27 H new ATOM 0 HD22 LEU B 20 -18.204 7.615 -1.466 1.00 0.27 H new ATOM 0 HD23 LEU B 20 -18.941 7.654 0.154 1.00 0.27 H new ATOM 1352 N PRO B 21 -23.164 6.771 -1.557 1.00 0.31 N ATOM 1353 CA PRO B 21 -24.512 6.365 -1.993 1.00 0.34 C ATOM 1354 C PRO B 21 -24.415 5.102 -2.853 1.00 0.30 C ATOM 1355 O PRO B 21 -23.491 4.939 -3.623 1.00 0.29 O ATOM 1356 CB PRO B 21 -25.042 7.555 -2.826 1.00 0.39 C ATOM 1357 CG PRO B 21 -24.023 8.718 -2.669 1.00 0.42 C ATOM 1358 CD PRO B 21 -22.796 8.163 -1.915 1.00 0.35 C ATOM 0 HA PRO B 21 -25.172 6.136 -1.157 1.00 0.34 H new ATOM 0 HB2 PRO B 21 -25.147 7.274 -3.874 1.00 0.39 H new ATOM 0 HB3 PRO B 21 -26.029 7.859 -2.477 1.00 0.39 H new ATOM 0 HG2 PRO B 21 -23.730 9.105 -3.645 1.00 0.42 H new ATOM 0 HG3 PRO B 21 -24.469 9.546 -2.118 1.00 0.42 H new ATOM 0 HD2 PRO B 21 -21.904 8.187 -2.541 1.00 0.35 H new ATOM 0 HD3 PRO B 21 -22.578 8.755 -1.026 1.00 0.35 H new ATOM 1366 N ARG B 22 -25.369 4.219 -2.749 1.00 0.31 N ATOM 1367 CA ARG B 22 -25.326 2.992 -3.590 1.00 0.30 C ATOM 1368 C ARG B 22 -25.096 3.414 -5.042 1.00 0.31 C ATOM 1369 O ARG B 22 -24.432 2.740 -5.805 1.00 0.31 O ATOM 1370 CB ARG B 22 -26.654 2.241 -3.473 1.00 0.33 C ATOM 1371 CG ARG B 22 -26.495 0.826 -4.033 1.00 0.69 C ATOM 1372 CD ARG B 22 -27.778 0.032 -3.780 1.00 1.24 C ATOM 1373 NE ARG B 22 -27.591 -1.374 -4.240 1.00 1.34 N ATOM 1374 CZ ARG B 22 -28.431 -2.301 -3.866 1.00 2.07 C ATOM 1375 NH1 ARG B 22 -29.439 -1.996 -3.094 1.00 2.89 N ATOM 1376 NH2 ARG B 22 -28.264 -3.531 -4.266 1.00 2.44 N ATOM 0 H ARG B 22 -26.171 4.293 -2.123 1.00 0.31 H new ATOM 0 HA ARG B 22 -24.522 2.335 -3.258 1.00 0.30 H new ATOM 0 HB2 ARG B 22 -26.968 2.197 -2.430 1.00 0.33 H new ATOM 0 HB3 ARG B 22 -27.434 2.773 -4.018 1.00 0.33 H new ATOM 0 HG2 ARG B 22 -26.285 0.868 -5.102 1.00 0.69 H new ATOM 0 HG3 ARG B 22 -25.648 0.329 -3.561 1.00 0.69 H new ATOM 0 HD2 ARG B 22 -28.025 0.049 -2.719 1.00 1.24 H new ATOM 0 HD3 ARG B 22 -28.613 0.491 -4.309 1.00 1.24 H new ATOM 0 HE ARG B 22 -26.807 -1.612 -4.847 1.00 1.34 H new ATOM 0 HH11 ARG B 22 -29.570 -1.033 -2.783 1.00 2.89 H new ATOM 0 HH12 ARG B 22 -30.095 -2.720 -2.802 1.00 2.89 H new ATOM 0 HH21 ARG B 22 -27.478 -3.768 -4.871 1.00 2.44 H new ATOM 0 HH22 ARG B 22 -28.920 -4.256 -3.974 1.00 2.44 H new ATOM 1390 N ASN B 23 -25.640 4.541 -5.420 1.00 0.34 N ATOM 1391 CA ASN B 23 -25.460 5.035 -6.813 1.00 0.37 C ATOM 1392 C ASN B 23 -24.033 5.565 -6.991 1.00 0.37 C ATOM 1393 O ASN B 23 -23.752 6.309 -7.909 1.00 0.40 O ATOM 1394 CB ASN B 23 -26.460 6.161 -7.087 1.00 0.42 C ATOM 1395 CG ASN B 23 -26.352 6.597 -8.549 1.00 1.47 C ATOM 1396 OD1 ASN B 23 -26.514 5.795 -9.448 1.00 2.16 O ATOM 1397 ND2 ASN B 23 -26.083 7.843 -8.828 1.00 2.38 N ATOM 0 H ASN B 23 -26.204 5.142 -4.819 1.00 0.34 H new ATOM 0 HA ASN B 23 -25.631 4.217 -7.512 1.00 0.37 H new ATOM 0 HB2 ASN B 23 -27.473 5.822 -6.872 1.00 0.42 H new ATOM 0 HB3 ASN B 23 -26.260 7.007 -6.429 1.00 0.42 H new ATOM 0 HD21 ASN B 23 -26.009 8.143 -9.800 1.00 2.38 H new ATOM 0 HD22 ASN B 23 -25.947 8.517 -8.074 1.00 2.38 H new ATOM 1404 N PHE B 24 -23.132 5.197 -6.114 1.00 0.33 N ATOM 1405 CA PHE B 24 -21.720 5.687 -6.226 1.00 0.33 C ATOM 1406 C PHE B 24 -20.767 4.546 -5.853 1.00 0.30 C ATOM 1407 O PHE B 24 -19.677 4.767 -5.366 1.00 0.28 O ATOM 1408 CB PHE B 24 -21.522 6.869 -5.258 1.00 0.33 C ATOM 1409 CG PHE B 24 -20.342 7.724 -5.681 1.00 0.35 C ATOM 1410 CD1 PHE B 24 -20.342 8.360 -6.941 1.00 0.39 C ATOM 1411 CD2 PHE B 24 -19.248 7.900 -4.808 1.00 0.35 C ATOM 1412 CE1 PHE B 24 -19.252 9.165 -7.323 1.00 0.41 C ATOM 1413 CE2 PHE B 24 -18.160 8.705 -5.194 1.00 0.37 C ATOM 1414 CZ PHE B 24 -18.162 9.337 -6.450 1.00 0.41 C ATOM 0 H PHE B 24 -23.312 4.578 -5.324 1.00 0.33 H new ATOM 0 HA PHE B 24 -21.514 6.014 -7.245 1.00 0.33 H new ATOM 0 HB2 PHE B 24 -22.426 7.478 -5.231 1.00 0.33 H new ATOM 0 HB3 PHE B 24 -21.360 6.494 -4.248 1.00 0.33 H new ATOM 0 HD1 PHE B 24 -21.178 8.229 -7.612 1.00 0.39 H new ATOM 0 HD2 PHE B 24 -19.245 7.416 -3.842 1.00 0.35 H new ATOM 0 HE1 PHE B 24 -19.252 9.651 -8.287 1.00 0.41 H new ATOM 0 HE2 PHE B 24 -17.323 8.837 -4.525 1.00 0.37 H new ATOM 0 HZ PHE B 24 -17.327 9.955 -6.745 1.00 0.41 H new ATOM 1424 N VAL B 25 -21.177 3.326 -6.083 1.00 0.30 N ATOM 1425 CA VAL B 25 -20.311 2.155 -5.754 1.00 0.28 C ATOM 1426 C VAL B 25 -20.611 1.032 -6.744 1.00 0.30 C ATOM 1427 O VAL B 25 -21.477 0.208 -6.524 1.00 0.31 O ATOM 1428 CB VAL B 25 -20.610 1.676 -4.331 1.00 0.24 C ATOM 1429 CG1 VAL B 25 -19.647 0.546 -3.960 1.00 0.22 C ATOM 1430 CG2 VAL B 25 -20.424 2.835 -3.350 1.00 0.23 C ATOM 0 H VAL B 25 -22.083 3.089 -6.488 1.00 0.30 H new ATOM 0 HA VAL B 25 -19.261 2.440 -5.820 1.00 0.28 H new ATOM 0 HB VAL B 25 -21.637 1.315 -4.281 1.00 0.24 H new ATOM 0 HG11 VAL B 25 -19.860 0.205 -2.947 1.00 0.22 H new ATOM 0 HG12 VAL B 25 -19.773 -0.283 -4.656 1.00 0.22 H new ATOM 0 HG13 VAL B 25 -18.621 0.910 -4.012 1.00 0.22 H new ATOM 0 HG21 VAL B 25 -20.637 2.492 -2.337 1.00 0.23 H new ATOM 0 HG22 VAL B 25 -19.396 3.195 -3.403 1.00 0.23 H new ATOM 0 HG23 VAL B 25 -21.106 3.645 -3.610 1.00 0.23 H new ATOM 1440 N VAL B 26 -19.907 0.999 -7.843 1.00 0.33 N ATOM 1441 CA VAL B 26 -20.153 -0.059 -8.862 1.00 0.36 C ATOM 1442 C VAL B 26 -19.364 -1.315 -8.500 1.00 0.35 C ATOM 1443 O VAL B 26 -19.578 -2.373 -9.056 1.00 0.37 O ATOM 1444 CB VAL B 26 -19.700 0.451 -10.231 1.00 0.41 C ATOM 1445 CG1 VAL B 26 -20.725 1.452 -10.770 1.00 0.78 C ATOM 1446 CG2 VAL B 26 -18.339 1.140 -10.089 1.00 0.61 C ATOM 0 H VAL B 26 -19.169 1.663 -8.079 1.00 0.33 H new ATOM 0 HA VAL B 26 -21.216 -0.299 -8.891 1.00 0.36 H new ATOM 0 HB VAL B 26 -19.616 -0.387 -10.923 1.00 0.41 H new ATOM 0 HG11 VAL B 26 -20.401 1.815 -11.746 1.00 0.78 H new ATOM 0 HG12 VAL B 26 -21.694 0.963 -10.868 1.00 0.78 H new ATOM 0 HG13 VAL B 26 -20.811 2.292 -10.081 1.00 0.78 H new ATOM 0 HG21 VAL B 26 -18.013 1.505 -11.063 1.00 0.61 H new ATOM 0 HG22 VAL B 26 -18.426 1.978 -9.398 1.00 0.61 H new ATOM 0 HG23 VAL B 26 -17.609 0.428 -9.705 1.00 0.61 H new ATOM 1456 N ASP B 27 -18.453 -1.212 -7.576 1.00 0.32 N ATOM 1457 CA ASP B 27 -17.660 -2.409 -7.195 1.00 0.31 C ATOM 1458 C ASP B 27 -16.845 -2.098 -5.947 1.00 0.27 C ATOM 1459 O ASP B 27 -16.996 -1.056 -5.338 1.00 0.25 O ATOM 1460 CB ASP B 27 -16.716 -2.782 -8.341 1.00 0.34 C ATOM 1461 CG ASP B 27 -16.154 -4.184 -8.105 1.00 0.35 C ATOM 1462 OD1 ASP B 27 -16.874 -5.006 -7.562 1.00 1.09 O ATOM 1463 OD2 ASP B 27 -15.012 -4.413 -8.471 1.00 1.13 O ATOM 0 H ASP B 27 -18.224 -0.356 -7.071 1.00 0.32 H new ATOM 0 HA ASP B 27 -18.332 -3.243 -6.993 1.00 0.31 H new ATOM 0 HB2 ASP B 27 -17.249 -2.748 -9.291 1.00 0.34 H new ATOM 0 HB3 ASP B 27 -15.903 -2.059 -8.406 1.00 0.34 H new ATOM 1468 N TYR B 28 -15.977 -2.988 -5.559 1.00 0.26 N ATOM 1469 CA TYR B 28 -15.151 -2.734 -4.350 1.00 0.23 C ATOM 1470 C TYR B 28 -13.870 -3.556 -4.417 1.00 0.25 C ATOM 1471 O TYR B 28 -13.580 -4.210 -5.397 1.00 0.29 O ATOM 1472 CB TYR B 28 -15.941 -3.092 -3.085 1.00 0.19 C ATOM 1473 CG TYR B 28 -16.066 -4.597 -2.935 1.00 0.21 C ATOM 1474 CD1 TYR B 28 -16.769 -5.350 -3.898 1.00 0.25 C ATOM 1475 CD2 TYR B 28 -15.488 -5.244 -1.824 1.00 0.19 C ATOM 1476 CE1 TYR B 28 -16.892 -6.744 -3.748 1.00 0.27 C ATOM 1477 CE2 TYR B 28 -15.612 -6.636 -1.674 1.00 0.22 C ATOM 1478 CZ TYR B 28 -16.313 -7.388 -2.636 1.00 0.25 C ATOM 1479 OH TYR B 28 -16.435 -8.755 -2.491 1.00 0.28 O ATOM 0 H TYR B 28 -15.805 -3.878 -6.026 1.00 0.26 H new ATOM 0 HA TYR B 28 -14.893 -1.676 -4.313 1.00 0.23 H new ATOM 0 HB2 TYR B 28 -15.443 -2.675 -2.210 1.00 0.19 H new ATOM 0 HB3 TYR B 28 -16.933 -2.643 -3.131 1.00 0.19 H new ATOM 0 HD1 TYR B 28 -17.213 -4.857 -4.750 1.00 0.25 H new ATOM 0 HD2 TYR B 28 -14.949 -4.669 -1.086 1.00 0.19 H new ATOM 0 HE1 TYR B 28 -17.430 -7.321 -4.486 1.00 0.27 H new ATOM 0 HE2 TYR B 28 -15.170 -7.129 -0.821 1.00 0.22 H new ATOM 0 HH TYR B 28 -15.978 -9.039 -1.672 1.00 0.28 H new ATOM 1489 N TYR B 29 -13.097 -3.504 -3.378 1.00 0.23 N ATOM 1490 CA TYR B 29 -11.817 -4.251 -3.352 1.00 0.25 C ATOM 1491 C TYR B 29 -11.357 -4.370 -1.894 1.00 0.22 C ATOM 1492 O TYR B 29 -11.472 -3.437 -1.131 1.00 0.23 O ATOM 1493 CB TYR B 29 -10.795 -3.469 -4.195 1.00 0.29 C ATOM 1494 CG TYR B 29 -9.386 -3.898 -3.862 1.00 0.31 C ATOM 1495 CD1 TYR B 29 -8.932 -5.169 -4.250 1.00 0.36 C ATOM 1496 CD2 TYR B 29 -8.531 -3.024 -3.165 1.00 0.35 C ATOM 1497 CE1 TYR B 29 -7.619 -5.572 -3.940 1.00 0.39 C ATOM 1498 CE2 TYR B 29 -7.217 -3.424 -2.854 1.00 0.38 C ATOM 1499 CZ TYR B 29 -6.761 -4.700 -3.241 1.00 0.36 C ATOM 1500 OH TYR B 29 -5.474 -5.093 -2.937 1.00 0.39 O ATOM 0 H TYR B 29 -13.299 -2.969 -2.534 1.00 0.23 H new ATOM 0 HA TYR B 29 -11.925 -5.254 -3.765 1.00 0.25 H new ATOM 0 HB2 TYR B 29 -10.989 -3.633 -5.255 1.00 0.29 H new ATOM 0 HB3 TYR B 29 -10.908 -2.400 -4.012 1.00 0.29 H new ATOM 0 HD1 TYR B 29 -9.590 -5.837 -4.786 1.00 0.36 H new ATOM 0 HD2 TYR B 29 -8.883 -2.047 -2.869 1.00 0.35 H new ATOM 0 HE1 TYR B 29 -7.270 -6.549 -4.238 1.00 0.39 H new ATOM 0 HE2 TYR B 29 -6.560 -2.754 -2.320 1.00 0.38 H new ATOM 0 HH TYR B 29 -5.017 -4.373 -2.454 1.00 0.39 H new ATOM 1510 N GLU B 30 -10.844 -5.503 -1.496 1.00 0.22 N ATOM 1511 CA GLU B 30 -10.381 -5.659 -0.080 1.00 0.20 C ATOM 1512 C GLU B 30 -8.870 -5.418 -0.012 1.00 0.21 C ATOM 1513 O GLU B 30 -8.162 -5.572 -0.988 1.00 0.24 O ATOM 1514 CB GLU B 30 -10.699 -7.075 0.408 1.00 0.22 C ATOM 1515 CG GLU B 30 -12.189 -7.187 0.737 1.00 0.25 C ATOM 1516 CD GLU B 30 -12.532 -8.644 1.056 1.00 0.69 C ATOM 1517 OE1 GLU B 30 -11.648 -9.477 0.944 1.00 1.35 O ATOM 1518 OE2 GLU B 30 -13.672 -8.900 1.407 1.00 1.43 O ATOM 0 H GLU B 30 -10.724 -6.327 -2.085 1.00 0.22 H new ATOM 0 HA GLU B 30 -10.893 -4.936 0.555 1.00 0.20 H new ATOM 0 HB2 GLU B 30 -10.431 -7.802 -0.358 1.00 0.22 H new ATOM 0 HB3 GLU B 30 -10.104 -7.308 1.291 1.00 0.22 H new ATOM 0 HG2 GLU B 30 -12.434 -6.550 1.587 1.00 0.25 H new ATOM 0 HG3 GLU B 30 -12.786 -6.838 -0.106 1.00 0.25 H new ATOM 1525 N THR B 31 -8.376 -5.030 1.131 1.00 0.19 N ATOM 1526 CA THR B 31 -6.911 -4.762 1.270 1.00 0.21 C ATOM 1527 C THR B 31 -6.126 -6.075 1.262 1.00 0.25 C ATOM 1528 O THR B 31 -6.637 -7.120 0.909 1.00 0.27 O ATOM 1529 CB THR B 31 -6.661 -4.042 2.595 1.00 0.20 C ATOM 1530 OG1 THR B 31 -7.368 -4.715 3.621 1.00 0.21 O ATOM 1531 CG2 THR B 31 -7.146 -2.595 2.485 1.00 0.20 C ATOM 0 H THR B 31 -8.923 -4.886 1.980 1.00 0.19 H new ATOM 0 HA THR B 31 -6.582 -4.146 0.434 1.00 0.21 H new ATOM 0 HB THR B 31 -5.596 -4.041 2.828 1.00 0.20 H new ATOM 0 HG1 THR B 31 -7.481 -5.657 3.376 1.00 0.21 H new ATOM 0 HG21 THR B 31 -6.969 -2.079 3.429 1.00 0.20 H new ATOM 0 HG22 THR B 31 -6.603 -2.089 1.687 1.00 0.20 H new ATOM 0 HG23 THR B 31 -8.213 -2.585 2.261 1.00 0.20 H new ATOM 1539 N SER B 32 -4.881 -6.020 1.654 1.00 0.27 N ATOM 1540 CA SER B 32 -4.038 -7.247 1.682 1.00 0.31 C ATOM 1541 C SER B 32 -4.233 -7.970 3.014 1.00 0.33 C ATOM 1542 O SER B 32 -5.315 -8.005 3.566 1.00 0.33 O ATOM 1543 CB SER B 32 -2.570 -6.851 1.536 1.00 0.33 C ATOM 1544 OG SER B 32 -1.785 -8.021 1.343 1.00 1.27 O ATOM 0 H SER B 32 -4.409 -5.168 1.959 1.00 0.27 H new ATOM 0 HA SER B 32 -4.327 -7.906 0.864 1.00 0.31 H new ATOM 0 HB2 SER B 32 -2.447 -6.173 0.692 1.00 0.33 H new ATOM 0 HB3 SER B 32 -2.235 -6.317 2.425 1.00 0.33 H new ATOM 0 HG SER B 32 -0.842 -7.770 1.247 1.00 1.27 H new ATOM 1550 N SER B 33 -3.185 -8.547 3.530 1.00 0.36 N ATOM 1551 CA SER B 33 -3.277 -9.277 4.831 1.00 0.40 C ATOM 1552 C SER B 33 -2.006 -9.019 5.633 1.00 0.40 C ATOM 1553 O SER B 33 -2.030 -8.910 6.842 1.00 0.42 O ATOM 1554 CB SER B 33 -3.393 -10.772 4.555 1.00 0.46 C ATOM 1555 OG SER B 33 -2.099 -11.303 4.298 1.00 0.48 O ATOM 0 H SER B 33 -2.258 -8.546 3.104 1.00 0.36 H new ATOM 0 HA SER B 33 -4.148 -8.934 5.390 1.00 0.40 H new ATOM 0 HB2 SER B 33 -3.843 -11.278 5.409 1.00 0.46 H new ATOM 0 HB3 SER B 33 -4.047 -10.946 3.700 1.00 0.46 H new ATOM 0 HG SER B 33 -2.169 -12.264 4.122 1.00 0.48 H new ATOM 1561 N LEU B 34 -0.896 -8.928 4.951 1.00 0.39 N ATOM 1562 CA LEU B 34 0.410 -8.681 5.632 1.00 0.39 C ATOM 1563 C LEU B 34 0.236 -7.662 6.758 1.00 0.37 C ATOM 1564 O LEU B 34 0.550 -7.923 7.902 1.00 0.40 O ATOM 1565 CB LEU B 34 1.417 -8.131 4.616 1.00 0.36 C ATOM 1566 CG LEU B 34 1.313 -8.901 3.300 1.00 0.39 C ATOM 1567 CD1 LEU B 34 2.448 -8.466 2.369 1.00 0.40 C ATOM 1568 CD2 LEU B 34 1.419 -10.405 3.572 1.00 0.45 C ATOM 0 H LEU B 34 -0.837 -9.015 3.936 1.00 0.39 H new ATOM 0 HA LEU B 34 0.772 -9.621 6.050 1.00 0.39 H new ATOM 0 HB2 LEU B 34 1.227 -7.072 4.442 1.00 0.36 H new ATOM 0 HB3 LEU B 34 2.428 -8.213 5.015 1.00 0.36 H new ATOM 0 HG LEU B 34 0.353 -8.689 2.829 1.00 0.39 H new ATOM 0 HD11 LEU B 34 2.377 -9.013 1.429 1.00 0.40 H new ATOM 0 HD12 LEU B 34 2.369 -7.397 2.173 1.00 0.40 H new ATOM 0 HD13 LEU B 34 3.407 -8.678 2.841 1.00 0.40 H new ATOM 0 HD21 LEU B 34 1.344 -10.951 2.632 1.00 0.45 H new ATOM 0 HD22 LEU B 34 2.377 -10.623 4.043 1.00 0.45 H new ATOM 0 HD23 LEU B 34 0.611 -10.713 4.235 1.00 0.45 H new ATOM 1580 N CYS B 35 -0.263 -6.504 6.440 1.00 0.33 N ATOM 1581 CA CYS B 35 -0.458 -5.469 7.489 1.00 0.34 C ATOM 1582 C CYS B 35 -1.593 -5.906 8.422 1.00 0.39 C ATOM 1583 O CYS B 35 -2.667 -6.259 7.985 1.00 0.39 O ATOM 1584 CB CYS B 35 -0.794 -4.123 6.834 1.00 0.32 C ATOM 1585 SG CYS B 35 -1.904 -4.380 5.427 1.00 0.40 S ATOM 0 H CYS B 35 -0.545 -6.229 5.499 1.00 0.33 H new ATOM 0 HA CYS B 35 0.458 -5.354 8.068 1.00 0.34 H new ATOM 0 HB2 CYS B 35 -1.264 -3.462 7.562 1.00 0.32 H new ATOM 0 HB3 CYS B 35 0.121 -3.632 6.501 1.00 0.32 H new ATOM 1590 N SER B 36 -1.348 -5.912 9.701 1.00 0.44 N ATOM 1591 CA SER B 36 -2.397 -6.342 10.673 1.00 0.51 C ATOM 1592 C SER B 36 -3.577 -5.359 10.692 1.00 0.51 C ATOM 1593 O SER B 36 -4.200 -5.169 11.717 1.00 0.58 O ATOM 1594 CB SER B 36 -1.784 -6.417 12.071 1.00 0.59 C ATOM 1595 OG SER B 36 -1.588 -5.101 12.567 1.00 1.41 O ATOM 0 H SER B 36 -0.460 -5.636 10.121 1.00 0.44 H new ATOM 0 HA SER B 36 -2.770 -7.319 10.366 1.00 0.51 H new ATOM 0 HB2 SER B 36 -2.439 -6.976 12.739 1.00 0.59 H new ATOM 0 HB3 SER B 36 -0.834 -6.950 12.036 1.00 0.59 H new ATOM 0 HG SER B 36 -1.197 -5.145 13.464 1.00 1.41 H new ATOM 1601 N GLN B 37 -3.900 -4.722 9.593 1.00 0.45 N ATOM 1602 CA GLN B 37 -5.047 -3.761 9.617 1.00 0.47 C ATOM 1603 C GLN B 37 -5.673 -3.620 8.221 1.00 0.36 C ATOM 1604 O GLN B 37 -5.620 -2.555 7.639 1.00 0.35 O ATOM 1605 CB GLN B 37 -4.543 -2.392 10.084 1.00 0.55 C ATOM 1606 CG GLN B 37 -3.243 -2.045 9.354 1.00 0.78 C ATOM 1607 CD GLN B 37 -2.769 -0.656 9.784 1.00 0.79 C ATOM 1608 OE1 GLN B 37 -1.591 -0.439 9.988 1.00 1.24 O ATOM 1609 NE2 GLN B 37 -3.643 0.302 9.932 1.00 1.48 N ATOM 0 H GLN B 37 -3.428 -4.823 8.694 1.00 0.45 H new ATOM 0 HA GLN B 37 -5.806 -4.140 10.301 1.00 0.47 H new ATOM 0 HB2 GLN B 37 -5.297 -1.630 9.887 1.00 0.55 H new ATOM 0 HB3 GLN B 37 -4.375 -2.403 11.161 1.00 0.55 H new ATOM 0 HG2 GLN B 37 -2.478 -2.788 9.580 1.00 0.78 H new ATOM 0 HG3 GLN B 37 -3.402 -2.069 8.276 1.00 0.78 H new ATOM 0 HE21 GLN B 37 -4.632 0.121 9.761 1.00 1.48 H new ATOM 0 HE22 GLN B 37 -3.337 1.232 10.219 1.00 1.48 H new ATOM 1618 N PRO B 38 -6.269 -4.682 7.724 1.00 0.34 N ATOM 1619 CA PRO B 38 -6.925 -4.652 6.403 1.00 0.26 C ATOM 1620 C PRO B 38 -8.186 -3.779 6.487 1.00 0.25 C ATOM 1621 O PRO B 38 -8.544 -3.282 7.535 1.00 0.27 O ATOM 1622 CB PRO B 38 -7.287 -6.127 6.110 1.00 0.33 C ATOM 1623 CG PRO B 38 -7.030 -6.935 7.416 1.00 0.43 C ATOM 1624 CD PRO B 38 -6.332 -5.988 8.418 1.00 0.43 C ATOM 0 HA PRO B 38 -6.295 -4.233 5.618 1.00 0.26 H new ATOM 0 HB2 PRO B 38 -8.329 -6.213 5.804 1.00 0.33 H new ATOM 0 HB3 PRO B 38 -6.681 -6.516 5.292 1.00 0.33 H new ATOM 0 HG2 PRO B 38 -7.968 -7.306 7.829 1.00 0.43 H new ATOM 0 HG3 PRO B 38 -6.406 -7.805 7.212 1.00 0.43 H new ATOM 0 HD2 PRO B 38 -6.894 -5.914 9.349 1.00 0.43 H new ATOM 0 HD3 PRO B 38 -5.336 -6.348 8.674 1.00 0.43 H new ATOM 1632 N ALA B 39 -8.857 -3.604 5.389 1.00 0.23 N ATOM 1633 CA ALA B 39 -10.093 -2.785 5.372 1.00 0.22 C ATOM 1634 C ALA B 39 -10.797 -3.032 4.045 1.00 0.19 C ATOM 1635 O ALA B 39 -10.236 -3.625 3.146 1.00 0.22 O ATOM 1636 CB ALA B 39 -9.733 -1.302 5.491 1.00 0.23 C ATOM 0 H ALA B 39 -8.596 -4.001 4.487 1.00 0.23 H new ATOM 0 HA ALA B 39 -10.740 -3.056 6.207 1.00 0.22 H new ATOM 0 HB1 ALA B 39 -10.644 -0.704 5.478 1.00 0.23 H new ATOM 0 HB2 ALA B 39 -9.200 -1.131 6.426 1.00 0.23 H new ATOM 0 HB3 ALA B 39 -9.098 -1.013 4.653 1.00 0.23 H new ATOM 1642 N VAL B 40 -12.008 -2.570 3.894 1.00 0.15 N ATOM 1643 CA VAL B 40 -12.720 -2.770 2.598 1.00 0.13 C ATOM 1644 C VAL B 40 -12.543 -1.497 1.775 1.00 0.13 C ATOM 1645 O VAL B 40 -12.511 -0.404 2.304 1.00 0.18 O ATOM 1646 CB VAL B 40 -14.211 -3.036 2.850 1.00 0.12 C ATOM 1647 CG1 VAL B 40 -15.000 -2.852 1.549 1.00 0.12 C ATOM 1648 CG2 VAL B 40 -14.385 -4.476 3.337 1.00 0.16 C ATOM 0 H VAL B 40 -12.534 -2.065 4.607 1.00 0.15 H new ATOM 0 HA VAL B 40 -12.312 -3.629 2.065 1.00 0.13 H new ATOM 0 HB VAL B 40 -14.581 -2.337 3.600 1.00 0.12 H new ATOM 0 HG11 VAL B 40 -16.057 -3.042 1.735 1.00 0.12 H new ATOM 0 HG12 VAL B 40 -14.873 -1.832 1.188 1.00 0.12 H new ATOM 0 HG13 VAL B 40 -14.632 -3.551 0.798 1.00 0.12 H new ATOM 0 HG21 VAL B 40 -15.441 -4.674 3.519 1.00 0.16 H new ATOM 0 HG22 VAL B 40 -14.012 -5.164 2.578 1.00 0.16 H new ATOM 0 HG23 VAL B 40 -13.825 -4.618 4.262 1.00 0.16 H new ATOM 1658 N VAL B 41 -12.407 -1.642 0.486 1.00 0.15 N ATOM 1659 CA VAL B 41 -12.201 -0.457 -0.405 1.00 0.16 C ATOM 1660 C VAL B 41 -13.332 -0.389 -1.432 1.00 0.16 C ATOM 1661 O VAL B 41 -13.505 -1.279 -2.235 1.00 0.18 O ATOM 1662 CB VAL B 41 -10.851 -0.615 -1.113 1.00 0.21 C ATOM 1663 CG1 VAL B 41 -10.383 0.725 -1.670 1.00 0.25 C ATOM 1664 CG2 VAL B 41 -9.812 -1.124 -0.108 1.00 0.23 C ATOM 0 H VAL B 41 -12.430 -2.540 0.003 1.00 0.15 H new ATOM 0 HA VAL B 41 -12.205 0.464 0.178 1.00 0.16 H new ATOM 0 HB VAL B 41 -10.964 -1.324 -1.933 1.00 0.21 H new ATOM 0 HG11 VAL B 41 -9.423 0.596 -2.170 1.00 0.25 H new ATOM 0 HG12 VAL B 41 -11.117 1.098 -2.384 1.00 0.25 H new ATOM 0 HG13 VAL B 41 -10.274 1.440 -0.855 1.00 0.25 H new ATOM 0 HG21 VAL B 41 -8.849 -1.238 -0.606 1.00 0.23 H new ATOM 0 HG22 VAL B 41 -9.715 -0.409 0.709 1.00 0.23 H new ATOM 0 HG23 VAL B 41 -10.132 -2.087 0.289 1.00 0.23 H new ATOM 1674 N PHE B 42 -14.114 0.658 -1.409 1.00 0.15 N ATOM 1675 CA PHE B 42 -15.244 0.767 -2.382 1.00 0.17 C ATOM 1676 C PHE B 42 -14.780 1.478 -3.655 1.00 0.21 C ATOM 1677 O PHE B 42 -14.137 2.508 -3.610 1.00 0.23 O ATOM 1678 CB PHE B 42 -16.389 1.570 -1.755 1.00 0.16 C ATOM 1679 CG PHE B 42 -17.124 0.720 -0.743 1.00 0.14 C ATOM 1680 CD1 PHE B 42 -17.828 -0.427 -1.164 1.00 0.14 C ATOM 1681 CD2 PHE B 42 -17.117 1.079 0.620 1.00 0.13 C ATOM 1682 CE1 PHE B 42 -18.521 -1.213 -0.223 1.00 0.14 C ATOM 1683 CE2 PHE B 42 -17.811 0.293 1.557 1.00 0.14 C ATOM 1684 CZ PHE B 42 -18.513 -0.852 1.136 1.00 0.14 C ATOM 0 H PHE B 42 -14.021 1.441 -0.761 1.00 0.15 H new ATOM 0 HA PHE B 42 -15.586 -0.237 -2.632 1.00 0.17 H new ATOM 0 HB2 PHE B 42 -15.995 2.465 -1.273 1.00 0.16 H new ATOM 0 HB3 PHE B 42 -17.078 1.903 -2.531 1.00 0.16 H new ATOM 0 HD1 PHE B 42 -17.836 -0.703 -2.208 1.00 0.14 H new ATOM 0 HD2 PHE B 42 -16.579 1.957 0.945 1.00 0.13 H new ATOM 0 HE1 PHE B 42 -19.058 -2.093 -0.545 1.00 0.14 H new ATOM 0 HE2 PHE B 42 -17.805 0.568 2.601 1.00 0.14 H new ATOM 0 HZ PHE B 42 -19.046 -1.454 1.857 1.00 0.14 H new ATOM 1694 N GLN B 43 -15.138 0.945 -4.793 1.00 0.24 N ATOM 1695 CA GLN B 43 -14.768 1.585 -6.089 1.00 0.28 C ATOM 1696 C GLN B 43 -15.972 2.418 -6.535 1.00 0.30 C ATOM 1697 O GLN B 43 -17.068 1.898 -6.662 1.00 0.30 O ATOM 1698 CB GLN B 43 -14.469 0.489 -7.115 1.00 0.32 C ATOM 1699 CG GLN B 43 -13.220 -0.283 -6.687 1.00 0.32 C ATOM 1700 CD GLN B 43 -13.064 -1.527 -7.562 1.00 0.58 C ATOM 1701 OE1 GLN B 43 -12.358 -1.503 -8.551 1.00 1.29 O ATOM 1702 NE2 GLN B 43 -13.698 -2.622 -7.240 1.00 1.31 N ATOM 0 H GLN B 43 -15.677 0.084 -4.880 1.00 0.24 H new ATOM 0 HA GLN B 43 -13.885 2.217 -5.991 1.00 0.28 H new ATOM 0 HB2 GLN B 43 -15.318 -0.189 -7.197 1.00 0.32 H new ATOM 0 HB3 GLN B 43 -14.317 0.930 -8.100 1.00 0.32 H new ATOM 0 HG2 GLN B 43 -12.338 0.352 -6.778 1.00 0.32 H new ATOM 0 HG3 GLN B 43 -13.299 -0.570 -5.639 1.00 0.32 H new ATOM 0 HE21 GLN B 43 -14.291 -2.643 -6.410 1.00 1.31 H new ATOM 0 HE22 GLN B 43 -13.601 -3.457 -7.818 1.00 1.31 H new ATOM 1711 N THR B 44 -15.810 3.712 -6.725 1.00 0.32 N ATOM 1712 CA THR B 44 -17.000 4.552 -7.097 1.00 0.34 C ATOM 1713 C THR B 44 -17.117 4.742 -8.606 1.00 0.39 C ATOM 1714 O THR B 44 -16.650 3.945 -9.395 1.00 0.41 O ATOM 1715 CB THR B 44 -16.884 5.925 -6.442 1.00 0.34 C ATOM 1716 OG1 THR B 44 -16.032 6.745 -7.225 1.00 0.38 O ATOM 1717 CG2 THR B 44 -16.304 5.771 -5.035 1.00 0.29 C ATOM 0 H THR B 44 -14.926 4.213 -6.641 1.00 0.32 H new ATOM 0 HA THR B 44 -17.889 4.028 -6.746 1.00 0.34 H new ATOM 0 HB THR B 44 -17.870 6.386 -6.375 1.00 0.34 H new ATOM 0 HG1 THR B 44 -16.319 7.679 -7.152 1.00 0.38 H new ATOM 0 HG21 THR B 44 -16.221 6.752 -4.566 1.00 0.29 H new ATOM 0 HG22 THR B 44 -16.961 5.138 -4.438 1.00 0.29 H new ATOM 0 HG23 THR B 44 -15.317 5.313 -5.097 1.00 0.29 H new ATOM 1725 N LYS B 45 -17.778 5.805 -8.994 1.00 0.43 N ATOM 1726 CA LYS B 45 -17.999 6.104 -10.439 1.00 0.48 C ATOM 1727 C LYS B 45 -17.279 7.404 -10.804 1.00 0.51 C ATOM 1728 O LYS B 45 -16.993 7.660 -11.958 1.00 0.56 O ATOM 1729 CB LYS B 45 -19.507 6.280 -10.686 1.00 0.50 C ATOM 1730 CG LYS B 45 -20.293 5.158 -9.981 1.00 0.46 C ATOM 1731 CD LYS B 45 -21.808 5.458 -10.005 1.00 0.49 C ATOM 1732 CE LYS B 45 -22.441 4.926 -11.289 1.00 0.54 C ATOM 1733 NZ LYS B 45 -21.906 5.665 -12.466 1.00 1.55 N ATOM 0 H LYS B 45 -18.181 6.490 -8.355 1.00 0.43 H new ATOM 0 HA LYS B 45 -17.612 5.287 -11.048 1.00 0.48 H new ATOM 0 HB2 LYS B 45 -19.833 7.252 -10.315 1.00 0.50 H new ATOM 0 HB3 LYS B 45 -19.713 6.262 -11.756 1.00 0.50 H new ATOM 0 HG2 LYS B 45 -20.098 4.205 -10.473 1.00 0.46 H new ATOM 0 HG3 LYS B 45 -19.952 5.060 -8.950 1.00 0.46 H new ATOM 0 HD2 LYS B 45 -22.288 5.001 -9.140 1.00 0.49 H new ATOM 0 HD3 LYS B 45 -21.973 6.533 -9.930 1.00 0.49 H new ATOM 0 HE2 LYS B 45 -22.233 3.861 -11.393 1.00 0.54 H new ATOM 0 HE3 LYS B 45 -23.524 5.036 -11.242 1.00 0.54 H new ATOM 0 HZ1 LYS B 45 -22.651 5.756 -13.186 1.00 1.55 H new ATOM 0 HZ2 LYS B 45 -21.594 6.611 -12.169 1.00 1.55 H new ATOM 0 HZ3 LYS B 45 -21.100 5.144 -12.866 1.00 1.55 H new ATOM 1747 N ARG B 46 -16.987 8.231 -9.827 1.00 0.50 N ATOM 1748 CA ARG B 46 -16.288 9.527 -10.103 1.00 0.54 C ATOM 1749 C ARG B 46 -15.119 9.663 -9.121 1.00 0.49 C ATOM 1750 O ARG B 46 -14.955 10.658 -8.451 1.00 0.48 O ATOM 1751 CB ARG B 46 -17.286 10.690 -9.919 1.00 0.59 C ATOM 1752 CG ARG B 46 -16.835 11.946 -10.699 1.00 0.72 C ATOM 1753 CD ARG B 46 -15.729 12.705 -9.947 1.00 0.92 C ATOM 1754 NE ARG B 46 -15.727 14.142 -10.378 1.00 1.48 N ATOM 1755 CZ ARG B 46 -15.654 14.477 -11.639 1.00 2.13 C ATOM 1756 NH1 ARG B 46 -15.379 13.584 -12.549 1.00 2.62 N ATOM 1757 NH2 ARG B 46 -15.798 15.728 -11.983 1.00 2.82 N ATOM 0 H ARG B 46 -17.204 8.062 -8.845 1.00 0.50 H new ATOM 0 HA ARG B 46 -15.909 9.552 -11.125 1.00 0.54 H new ATOM 0 HB2 ARG B 46 -18.274 10.382 -10.261 1.00 0.59 H new ATOM 0 HB3 ARG B 46 -17.376 10.930 -8.860 1.00 0.59 H new ATOM 0 HG2 ARG B 46 -16.473 11.654 -11.685 1.00 0.72 H new ATOM 0 HG3 ARG B 46 -17.689 12.605 -10.856 1.00 0.72 H new ATOM 0 HD2 ARG B 46 -15.893 12.637 -8.872 1.00 0.92 H new ATOM 0 HD3 ARG B 46 -14.759 12.252 -10.151 1.00 0.92 H new ATOM 0 HE ARG B 46 -15.784 14.874 -9.670 1.00 1.48 H new ATOM 0 HH11 ARG B 46 -15.219 12.614 -12.279 1.00 2.62 H new ATOM 0 HH12 ARG B 46 -15.324 13.856 -13.531 1.00 2.62 H new ATOM 0 HH21 ARG B 46 -15.966 16.437 -11.269 1.00 2.82 H new ATOM 0 HH22 ARG B 46 -15.742 15.996 -12.965 1.00 2.82 H new ATOM 1771 N SER B 47 -14.298 8.656 -9.041 1.00 0.46 N ATOM 1772 CA SER B 47 -13.133 8.705 -8.132 1.00 0.42 C ATOM 1773 C SER B 47 -12.224 7.531 -8.477 1.00 0.42 C ATOM 1774 O SER B 47 -11.788 7.383 -9.601 1.00 0.46 O ATOM 1775 CB SER B 47 -13.588 8.625 -6.668 1.00 0.38 C ATOM 1776 OG SER B 47 -13.975 7.296 -6.354 1.00 1.07 O ATOM 0 H SER B 47 -14.390 7.792 -9.576 1.00 0.46 H new ATOM 0 HA SER B 47 -12.596 9.646 -8.256 1.00 0.42 H new ATOM 0 HB2 SER B 47 -12.780 8.943 -6.009 1.00 0.38 H new ATOM 0 HB3 SER B 47 -14.423 9.305 -6.500 1.00 0.38 H new ATOM 0 HG SER B 47 -14.854 7.110 -6.745 1.00 1.07 H new ATOM 1782 N LYS B 48 -11.958 6.690 -7.536 1.00 0.38 N ATOM 1783 CA LYS B 48 -11.097 5.510 -7.798 1.00 0.40 C ATOM 1784 C LYS B 48 -11.410 4.473 -6.726 1.00 0.35 C ATOM 1785 O LYS B 48 -12.306 3.662 -6.864 1.00 0.34 O ATOM 1786 CB LYS B 48 -9.608 5.907 -7.713 1.00 0.44 C ATOM 1787 CG LYS B 48 -9.114 6.463 -9.060 1.00 1.11 C ATOM 1788 CD LYS B 48 -7.582 6.529 -9.063 1.00 1.38 C ATOM 1789 CE LYS B 48 -7.088 6.827 -10.483 1.00 2.13 C ATOM 1790 NZ LYS B 48 -8.036 7.762 -11.152 1.00 2.73 N ATOM 0 H LYS B 48 -12.303 6.766 -6.579 1.00 0.38 H new ATOM 0 HA LYS B 48 -11.288 5.113 -8.795 1.00 0.40 H new ATOM 0 HB2 LYS B 48 -9.470 6.656 -6.933 1.00 0.44 H new ATOM 0 HB3 LYS B 48 -9.011 5.040 -7.431 1.00 0.44 H new ATOM 0 HG2 LYS B 48 -9.462 5.829 -9.875 1.00 1.11 H new ATOM 0 HG3 LYS B 48 -9.530 7.456 -9.229 1.00 1.11 H new ATOM 0 HD2 LYS B 48 -7.239 7.303 -8.377 1.00 1.38 H new ATOM 0 HD3 LYS B 48 -7.166 5.585 -8.712 1.00 1.38 H new ATOM 0 HE2 LYS B 48 -6.091 7.266 -10.448 1.00 2.13 H new ATOM 0 HE3 LYS B 48 -7.009 5.902 -11.054 1.00 2.13 H new ATOM 0 HZ1 LYS B 48 -7.576 8.189 -11.981 1.00 2.73 H new ATOM 0 HZ2 LYS B 48 -8.882 7.240 -11.456 1.00 2.73 H new ATOM 0 HZ3 LYS B 48 -8.313 8.511 -10.486 1.00 2.73 H new ATOM 1804 N GLN B 49 -10.672 4.520 -5.650 1.00 0.33 N ATOM 1805 CA GLN B 49 -10.878 3.567 -4.524 1.00 0.30 C ATOM 1806 C GLN B 49 -11.067 4.369 -3.227 1.00 0.25 C ATOM 1807 O GLN B 49 -10.477 5.417 -3.040 1.00 0.26 O ATOM 1808 CB GLN B 49 -9.629 2.669 -4.415 1.00 0.35 C ATOM 1809 CG GLN B 49 -9.847 1.353 -5.172 1.00 0.82 C ATOM 1810 CD GLN B 49 -8.634 0.443 -4.974 1.00 0.89 C ATOM 1811 OE1 GLN B 49 -7.557 0.907 -4.658 1.00 1.53 O ATOM 1812 NE2 GLN B 49 -8.765 -0.844 -5.145 1.00 1.52 N ATOM 0 H GLN B 49 -9.920 5.193 -5.502 1.00 0.33 H new ATOM 0 HA GLN B 49 -11.759 2.948 -4.694 1.00 0.30 H new ATOM 0 HB2 GLN B 49 -8.762 3.190 -4.822 1.00 0.35 H new ATOM 0 HB3 GLN B 49 -9.413 2.461 -3.367 1.00 0.35 H new ATOM 0 HG2 GLN B 49 -10.749 0.858 -4.811 1.00 0.82 H new ATOM 0 HG3 GLN B 49 -9.996 1.552 -6.233 1.00 0.82 H new ATOM 0 HE21 GLN B 49 -9.669 -1.234 -5.410 1.00 1.52 H new ATOM 0 HE22 GLN B 49 -7.963 -1.460 -5.013 1.00 1.52 H new ATOM 1821 N VAL B 50 -11.884 3.877 -2.331 1.00 0.23 N ATOM 1822 CA VAL B 50 -12.115 4.590 -1.035 1.00 0.19 C ATOM 1823 C VAL B 50 -12.111 3.569 0.095 1.00 0.16 C ATOM 1824 O VAL B 50 -12.879 2.631 0.095 1.00 0.15 O ATOM 1825 CB VAL B 50 -13.467 5.310 -1.074 1.00 0.22 C ATOM 1826 CG1 VAL B 50 -13.564 6.268 0.117 1.00 0.24 C ATOM 1827 CG2 VAL B 50 -13.590 6.096 -2.386 1.00 0.31 C ATOM 0 H VAL B 50 -12.405 3.007 -2.441 1.00 0.23 H new ATOM 0 HA VAL B 50 -11.327 5.325 -0.873 1.00 0.19 H new ATOM 0 HB VAL B 50 -14.275 4.580 -1.017 1.00 0.22 H new ATOM 0 HG11 VAL B 50 -14.525 6.782 0.093 1.00 0.24 H new ATOM 0 HG12 VAL B 50 -13.478 5.704 1.046 1.00 0.24 H new ATOM 0 HG13 VAL B 50 -12.759 7.001 0.061 1.00 0.24 H new ATOM 0 HG21 VAL B 50 -14.552 6.608 -2.414 1.00 0.31 H new ATOM 0 HG22 VAL B 50 -12.786 6.829 -2.447 1.00 0.31 H new ATOM 0 HG23 VAL B 50 -13.520 5.409 -3.230 1.00 0.31 H new ATOM 1837 N CYS B 51 -11.252 3.744 1.059 1.00 0.16 N ATOM 1838 CA CYS B 51 -11.189 2.778 2.186 1.00 0.15 C ATOM 1839 C CYS B 51 -12.411 2.961 3.082 1.00 0.14 C ATOM 1840 O CYS B 51 -12.983 4.030 3.161 1.00 0.16 O ATOM 1841 CB CYS B 51 -9.919 3.035 2.997 1.00 0.17 C ATOM 1842 SG CYS B 51 -8.467 2.774 1.946 1.00 0.21 S ATOM 0 H CYS B 51 -10.589 4.517 1.114 1.00 0.16 H new ATOM 0 HA CYS B 51 -11.176 1.760 1.796 1.00 0.15 H new ATOM 0 HB2 CYS B 51 -9.922 4.054 3.384 1.00 0.17 H new ATOM 0 HB3 CYS B 51 -9.883 2.367 3.858 1.00 0.17 H new ATOM 1847 N ALA B 52 -12.823 1.917 3.752 1.00 0.12 N ATOM 1848 CA ALA B 52 -14.020 2.015 4.639 1.00 0.13 C ATOM 1849 C ALA B 52 -13.805 1.146 5.881 1.00 0.15 C ATOM 1850 O ALA B 52 -13.363 0.016 5.793 1.00 0.15 O ATOM 1851 CB ALA B 52 -15.253 1.516 3.883 1.00 0.11 C ATOM 0 H ALA B 52 -12.381 0.998 3.723 1.00 0.12 H new ATOM 0 HA ALA B 52 -14.167 3.053 4.939 1.00 0.13 H new ATOM 0 HB1 ALA B 52 -16.129 1.586 4.528 1.00 0.11 H new ATOM 0 HB2 ALA B 52 -15.407 2.128 2.994 1.00 0.11 H new ATOM 0 HB3 ALA B 52 -15.103 0.478 3.587 1.00 0.11 H new ATOM 1857 N ASP B 53 -14.114 1.668 7.037 1.00 0.18 N ATOM 1858 CA ASP B 53 -13.930 0.883 8.290 1.00 0.22 C ATOM 1859 C ASP B 53 -14.947 -0.285 8.318 1.00 0.21 C ATOM 1860 O ASP B 53 -16.134 -0.029 8.342 1.00 0.22 O ATOM 1861 CB ASP B 53 -14.198 1.798 9.489 1.00 0.27 C ATOM 1862 CG ASP B 53 -13.730 1.110 10.772 1.00 1.35 C ATOM 1863 OD1 ASP B 53 -13.766 -0.109 10.813 1.00 2.17 O ATOM 1864 OD2 ASP B 53 -13.344 1.813 11.691 1.00 2.10 O ATOM 0 H ASP B 53 -14.487 2.608 7.167 1.00 0.18 H new ATOM 0 HA ASP B 53 -12.914 0.489 8.333 1.00 0.22 H new ATOM 0 HB2 ASP B 53 -13.675 2.746 9.361 1.00 0.27 H new ATOM 0 HB3 ASP B 53 -15.262 2.027 9.554 1.00 0.27 H new ATOM 1869 N PRO B 54 -14.495 -1.534 8.315 1.00 0.22 N ATOM 1870 CA PRO B 54 -15.436 -2.674 8.341 1.00 0.24 C ATOM 1871 C PRO B 54 -16.297 -2.619 9.613 1.00 0.28 C ATOM 1872 O PRO B 54 -17.219 -3.391 9.784 1.00 0.30 O ATOM 1873 CB PRO B 54 -14.544 -3.937 8.330 1.00 0.27 C ATOM 1874 CG PRO B 54 -13.062 -3.467 8.272 1.00 0.27 C ATOM 1875 CD PRO B 54 -13.063 -1.922 8.286 1.00 0.24 C ATOM 0 HA PRO B 54 -16.124 -2.664 7.495 1.00 0.24 H new ATOM 0 HB2 PRO B 54 -14.720 -4.538 9.222 1.00 0.27 H new ATOM 0 HB3 PRO B 54 -14.780 -4.565 7.471 1.00 0.27 H new ATOM 0 HG2 PRO B 54 -12.503 -3.858 9.122 1.00 0.27 H new ATOM 0 HG3 PRO B 54 -12.576 -3.842 7.371 1.00 0.27 H new ATOM 0 HD2 PRO B 54 -12.533 -1.536 9.156 1.00 0.24 H new ATOM 0 HD3 PRO B 54 -12.564 -1.520 7.404 1.00 0.24 H new ATOM 1883 N SER B 55 -15.992 -1.721 10.506 1.00 0.31 N ATOM 1884 CA SER B 55 -16.778 -1.628 11.769 1.00 0.36 C ATOM 1885 C SER B 55 -18.118 -0.937 11.504 1.00 0.36 C ATOM 1886 O SER B 55 -19.046 -1.051 12.280 1.00 0.40 O ATOM 1887 CB SER B 55 -15.988 -0.823 12.801 1.00 0.40 C ATOM 1888 OG SER B 55 -14.640 -1.275 12.817 1.00 1.42 O ATOM 0 H SER B 55 -15.232 -1.046 10.417 1.00 0.31 H new ATOM 0 HA SER B 55 -16.963 -2.633 12.148 1.00 0.36 H new ATOM 0 HB2 SER B 55 -16.025 0.239 12.557 1.00 0.40 H new ATOM 0 HB3 SER B 55 -16.434 -0.939 13.789 1.00 0.40 H new ATOM 0 HG SER B 55 -14.147 -0.861 12.078 1.00 1.42 H new ATOM 1894 N GLU B 56 -18.236 -0.223 10.417 1.00 0.33 N ATOM 1895 CA GLU B 56 -19.526 0.464 10.117 1.00 0.33 C ATOM 1896 C GLU B 56 -20.495 -0.540 9.482 1.00 0.33 C ATOM 1897 O GLU B 56 -20.233 -1.113 8.442 1.00 0.29 O ATOM 1898 CB GLU B 56 -19.275 1.633 9.161 1.00 0.31 C ATOM 1899 CG GLU B 56 -18.748 2.840 9.943 1.00 0.35 C ATOM 1900 CD GLU B 56 -19.890 3.467 10.746 1.00 1.30 C ATOM 1901 OE1 GLU B 56 -20.647 4.228 10.167 1.00 2.01 O ATOM 1902 OE2 GLU B 56 -19.987 3.176 11.927 1.00 2.08 O ATOM 0 H GLU B 56 -17.498 -0.086 9.726 1.00 0.33 H new ATOM 0 HA GLU B 56 -19.962 0.851 11.038 1.00 0.33 H new ATOM 0 HB2 GLU B 56 -18.555 1.341 8.396 1.00 0.31 H new ATOM 0 HB3 GLU B 56 -20.198 1.897 8.645 1.00 0.31 H new ATOM 0 HG2 GLU B 56 -17.946 2.531 10.613 1.00 0.35 H new ATOM 0 HG3 GLU B 56 -18.325 3.574 9.257 1.00 0.35 H new ATOM 1909 N SER B 57 -21.607 -0.762 10.123 1.00 0.37 N ATOM 1910 CA SER B 57 -22.613 -1.734 9.609 1.00 0.38 C ATOM 1911 C SER B 57 -22.941 -1.479 8.135 1.00 0.35 C ATOM 1912 O SER B 57 -23.111 -2.406 7.368 1.00 0.34 O ATOM 1913 CB SER B 57 -23.894 -1.611 10.434 1.00 0.44 C ATOM 1914 OG SER B 57 -24.439 -0.309 10.263 1.00 1.37 O ATOM 0 H SER B 57 -21.866 -0.304 10.996 1.00 0.37 H new ATOM 0 HA SER B 57 -22.193 -2.736 9.696 1.00 0.38 H new ATOM 0 HB2 SER B 57 -24.616 -2.364 10.120 1.00 0.44 H new ATOM 0 HB3 SER B 57 -23.681 -1.793 11.487 1.00 0.44 H new ATOM 0 HG SER B 57 -25.262 -0.227 10.789 1.00 1.37 H new ATOM 1920 N TRP B 58 -23.061 -0.246 7.724 1.00 0.34 N ATOM 1921 CA TRP B 58 -23.410 0.010 6.298 1.00 0.32 C ATOM 1922 C TRP B 58 -22.333 -0.574 5.390 1.00 0.27 C ATOM 1923 O TRP B 58 -22.604 -0.997 4.285 1.00 0.27 O ATOM 1924 CB TRP B 58 -23.600 1.512 6.043 1.00 0.34 C ATOM 1925 CG TRP B 58 -22.291 2.235 5.957 1.00 0.31 C ATOM 1926 CD1 TRP B 58 -21.789 3.035 6.926 1.00 0.32 C ATOM 1927 CD2 TRP B 58 -21.334 2.277 4.855 1.00 0.27 C ATOM 1928 NE1 TRP B 58 -20.589 3.568 6.493 1.00 0.29 N ATOM 1929 CE2 TRP B 58 -20.259 3.128 5.230 1.00 0.26 C ATOM 1930 CE3 TRP B 58 -21.287 1.666 3.579 1.00 0.27 C ATOM 1931 CZ2 TRP B 58 -19.176 3.366 4.371 1.00 0.25 C ATOM 1932 CZ3 TRP B 58 -20.198 1.903 2.712 1.00 0.27 C ATOM 1933 CH2 TRP B 58 -19.145 2.752 3.110 1.00 0.26 C ATOM 0 H TRP B 58 -22.935 0.584 8.304 1.00 0.34 H new ATOM 0 HA TRP B 58 -24.357 -0.481 6.072 1.00 0.32 H new ATOM 0 HB2 TRP B 58 -24.155 1.655 5.116 1.00 0.34 H new ATOM 0 HB3 TRP B 58 -24.201 1.943 6.844 1.00 0.34 H new ATOM 0 HD1 TRP B 58 -22.251 3.226 7.883 1.00 0.32 H new ATOM 0 HE1 TRP B 58 -20.017 4.210 7.042 1.00 0.29 H new ATOM 0 HE3 TRP B 58 -22.089 1.014 3.267 1.00 0.27 H new ATOM 0 HZ2 TRP B 58 -18.371 4.018 4.678 1.00 0.25 H new ATOM 0 HZ3 TRP B 58 -20.172 1.432 1.740 1.00 0.27 H new ATOM 0 HH2 TRP B 58 -18.314 2.930 2.444 1.00 0.26 H new ATOM 1944 N VAL B 59 -21.118 -0.631 5.847 1.00 0.24 N ATOM 1945 CA VAL B 59 -20.049 -1.213 4.998 1.00 0.20 C ATOM 1946 C VAL B 59 -20.337 -2.696 4.809 1.00 0.22 C ATOM 1947 O VAL B 59 -20.287 -3.214 3.713 1.00 0.21 O ATOM 1948 CB VAL B 59 -18.699 -1.025 5.685 1.00 0.19 C ATOM 1949 CG1 VAL B 59 -17.592 -1.665 4.844 1.00 0.18 C ATOM 1950 CG2 VAL B 59 -18.440 0.471 5.836 1.00 0.19 C ATOM 0 H VAL B 59 -20.820 -0.302 6.765 1.00 0.24 H new ATOM 0 HA VAL B 59 -20.022 -0.717 4.028 1.00 0.20 H new ATOM 0 HB VAL B 59 -18.708 -1.503 6.665 1.00 0.19 H new ATOM 0 HG11 VAL B 59 -16.632 -1.527 5.341 1.00 0.18 H new ATOM 0 HG12 VAL B 59 -17.792 -2.731 4.730 1.00 0.18 H new ATOM 0 HG13 VAL B 59 -17.563 -1.194 3.861 1.00 0.18 H new ATOM 0 HG21 VAL B 59 -17.479 0.626 6.326 1.00 0.19 H new ATOM 0 HG22 VAL B 59 -18.426 0.939 4.852 1.00 0.19 H new ATOM 0 HG23 VAL B 59 -19.230 0.918 6.439 1.00 0.19 H new ATOM 1960 N GLN B 60 -20.663 -3.378 5.867 1.00 0.25 N ATOM 1961 CA GLN B 60 -20.978 -4.826 5.736 1.00 0.28 C ATOM 1962 C GLN B 60 -22.242 -4.987 4.886 1.00 0.30 C ATOM 1963 O GLN B 60 -22.361 -5.904 4.097 1.00 0.31 O ATOM 1964 CB GLN B 60 -21.210 -5.429 7.123 1.00 0.33 C ATOM 1965 CG GLN B 60 -21.426 -6.938 6.993 1.00 1.25 C ATOM 1966 CD GLN B 60 -21.569 -7.556 8.387 1.00 1.65 C ATOM 1967 OE1 GLN B 60 -20.816 -7.238 9.286 1.00 2.33 O ATOM 1968 NE2 GLN B 60 -22.512 -8.431 8.604 1.00 2.14 N ATOM 0 H GLN B 60 -20.725 -3.000 6.812 1.00 0.25 H new ATOM 0 HA GLN B 60 -20.145 -5.342 5.258 1.00 0.28 H new ATOM 0 HB2 GLN B 60 -20.354 -5.227 7.767 1.00 0.33 H new ATOM 0 HB3 GLN B 60 -22.078 -4.966 7.592 1.00 0.33 H new ATOM 0 HG2 GLN B 60 -22.319 -7.139 6.401 1.00 1.25 H new ATOM 0 HG3 GLN B 60 -20.586 -7.392 6.467 1.00 1.25 H new ATOM 0 HE21 GLN B 60 -23.144 -8.698 7.849 1.00 2.14 H new ATOM 0 HE22 GLN B 60 -22.617 -8.848 9.529 1.00 2.14 H new ATOM 1977 N GLU B 61 -23.188 -4.101 5.044 1.00 0.31 N ATOM 1978 CA GLU B 61 -24.450 -4.192 4.253 1.00 0.33 C ATOM 1979 C GLU B 61 -24.154 -3.966 2.767 1.00 0.31 C ATOM 1980 O GLU B 61 -24.575 -4.727 1.919 1.00 0.32 O ATOM 1981 CB GLU B 61 -25.435 -3.129 4.743 1.00 0.35 C ATOM 1982 CG GLU B 61 -26.792 -3.340 4.067 1.00 0.40 C ATOM 1983 CD GLU B 61 -27.826 -2.400 4.693 1.00 1.29 C ATOM 1984 OE1 GLU B 61 -27.453 -1.645 5.575 1.00 2.03 O ATOM 1985 OE2 GLU B 61 -28.971 -2.451 4.277 1.00 1.99 O ATOM 0 H GLU B 61 -23.141 -3.314 5.691 1.00 0.31 H new ATOM 0 HA GLU B 61 -24.884 -5.183 4.384 1.00 0.33 H new ATOM 0 HB2 GLU B 61 -25.543 -3.190 5.826 1.00 0.35 H new ATOM 0 HB3 GLU B 61 -25.055 -2.133 4.516 1.00 0.35 H new ATOM 0 HG2 GLU B 61 -26.711 -3.148 2.997 1.00 0.40 H new ATOM 0 HG3 GLU B 61 -27.110 -4.376 4.182 1.00 0.40 H new ATOM 1992 N TYR B 62 -23.439 -2.924 2.447 1.00 0.28 N ATOM 1993 CA TYR B 62 -23.122 -2.643 1.016 1.00 0.28 C ATOM 1994 C TYR B 62 -22.305 -3.803 0.435 1.00 0.28 C ATOM 1995 O TYR B 62 -22.467 -4.170 -0.712 1.00 0.30 O ATOM 1996 CB TYR B 62 -22.318 -1.335 0.906 1.00 0.25 C ATOM 1997 CG TYR B 62 -23.244 -0.130 0.930 1.00 0.27 C ATOM 1998 CD1 TYR B 62 -24.214 0.014 1.946 1.00 0.29 C ATOM 1999 CD2 TYR B 62 -23.129 0.858 -0.071 1.00 0.27 C ATOM 2000 CE1 TYR B 62 -25.060 1.141 1.958 1.00 0.32 C ATOM 2001 CE2 TYR B 62 -23.977 1.981 -0.057 1.00 0.29 C ATOM 2002 CZ TYR B 62 -24.942 2.122 0.956 1.00 0.31 C ATOM 2003 OH TYR B 62 -25.773 3.225 0.969 1.00 0.34 O ATOM 0 H TYR B 62 -23.059 -2.253 3.115 1.00 0.28 H new ATOM 0 HA TYR B 62 -24.051 -2.538 0.456 1.00 0.28 H new ATOM 0 HB2 TYR B 62 -21.607 -1.269 1.729 1.00 0.25 H new ATOM 0 HB3 TYR B 62 -21.738 -1.336 -0.017 1.00 0.25 H new ATOM 0 HD1 TYR B 62 -24.308 -0.740 2.714 1.00 0.29 H new ATOM 0 HD2 TYR B 62 -22.388 0.752 -0.850 1.00 0.27 H new ATOM 0 HE1 TYR B 62 -25.800 1.252 2.737 1.00 0.32 H new ATOM 0 HE2 TYR B 62 -23.887 2.735 -0.825 1.00 0.29 H new ATOM 0 HH TYR B 62 -25.559 3.805 0.208 1.00 0.34 H new ATOM 2013 N VAL B 63 -21.438 -4.388 1.214 1.00 0.27 N ATOM 2014 CA VAL B 63 -20.633 -5.524 0.694 1.00 0.28 C ATOM 2015 C VAL B 63 -21.581 -6.676 0.397 1.00 0.32 C ATOM 2016 O VAL B 63 -21.448 -7.373 -0.587 1.00 0.34 O ATOM 2017 CB VAL B 63 -19.609 -5.950 1.750 1.00 0.28 C ATOM 2018 CG1 VAL B 63 -18.959 -7.275 1.342 1.00 0.32 C ATOM 2019 CG2 VAL B 63 -18.527 -4.871 1.872 1.00 0.25 C ATOM 0 H VAL B 63 -21.254 -4.129 2.183 1.00 0.27 H new ATOM 0 HA VAL B 63 -20.101 -5.233 -0.212 1.00 0.28 H new ATOM 0 HB VAL B 63 -20.114 -6.078 2.708 1.00 0.28 H new ATOM 0 HG11 VAL B 63 -18.232 -7.572 2.098 1.00 0.32 H new ATOM 0 HG12 VAL B 63 -19.726 -8.045 1.254 1.00 0.32 H new ATOM 0 HG13 VAL B 63 -18.456 -7.153 0.383 1.00 0.32 H new ATOM 0 HG21 VAL B 63 -17.797 -5.172 2.623 1.00 0.25 H new ATOM 0 HG22 VAL B 63 -18.028 -4.745 0.911 1.00 0.25 H new ATOM 0 HG23 VAL B 63 -18.986 -3.928 2.169 1.00 0.25 H new ATOM 2029 N TYR B 64 -22.544 -6.872 1.247 1.00 0.34 N ATOM 2030 CA TYR B 64 -23.515 -7.971 1.032 1.00 0.38 C ATOM 2031 C TYR B 64 -24.275 -7.716 -0.267 1.00 0.39 C ATOM 2032 O TYR B 64 -24.496 -8.607 -1.060 1.00 0.41 O ATOM 2033 CB TYR B 64 -24.500 -8.008 2.206 1.00 0.41 C ATOM 2034 CG TYR B 64 -25.194 -9.350 2.253 1.00 0.46 C ATOM 2035 CD1 TYR B 64 -24.512 -10.480 2.747 1.00 0.48 C ATOM 2036 CD2 TYR B 64 -26.525 -9.473 1.807 1.00 0.49 C ATOM 2037 CE1 TYR B 64 -25.159 -11.729 2.793 1.00 0.52 C ATOM 2038 CE2 TYR B 64 -27.171 -10.723 1.854 1.00 0.54 C ATOM 2039 CZ TYR B 64 -26.489 -11.851 2.347 1.00 0.55 C ATOM 2040 OH TYR B 64 -27.123 -13.075 2.393 1.00 0.60 O ATOM 0 H TYR B 64 -22.700 -6.314 2.086 1.00 0.34 H new ATOM 0 HA TYR B 64 -22.992 -8.925 0.967 1.00 0.38 H new ATOM 0 HB2 TYR B 64 -23.971 -7.830 3.142 1.00 0.41 H new ATOM 0 HB3 TYR B 64 -25.236 -7.211 2.099 1.00 0.41 H new ATOM 0 HD1 TYR B 64 -23.492 -10.387 3.090 1.00 0.48 H new ATOM 0 HD2 TYR B 64 -27.050 -8.608 1.429 1.00 0.49 H new ATOM 0 HE1 TYR B 64 -24.635 -12.595 3.171 1.00 0.52 H new ATOM 0 HE2 TYR B 64 -28.191 -10.816 1.511 1.00 0.54 H new ATOM 0 HH TYR B 64 -28.036 -12.984 2.049 1.00 0.60 H new ATOM 2050 N ASP B 65 -24.675 -6.497 -0.481 1.00 0.36 N ATOM 2051 CA ASP B 65 -25.427 -6.160 -1.722 1.00 0.37 C ATOM 2052 C ASP B 65 -24.551 -6.443 -2.945 1.00 0.37 C ATOM 2053 O ASP B 65 -25.029 -6.848 -3.986 1.00 0.40 O ATOM 2054 CB ASP B 65 -25.804 -4.675 -1.689 1.00 0.35 C ATOM 2055 CG ASP B 65 -27.027 -4.470 -0.792 1.00 0.39 C ATOM 2056 OD1 ASP B 65 -26.924 -4.755 0.391 1.00 1.11 O ATOM 2057 OD2 ASP B 65 -28.045 -4.033 -1.302 1.00 1.15 O ATOM 0 H ASP B 65 -24.514 -5.714 0.152 1.00 0.36 H new ATOM 0 HA ASP B 65 -26.331 -6.767 -1.782 1.00 0.37 H new ATOM 0 HB2 ASP B 65 -24.966 -4.086 -1.317 1.00 0.35 H new ATOM 0 HB3 ASP B 65 -26.018 -4.322 -2.698 1.00 0.35 H new ATOM 2062 N LEU B 66 -23.273 -6.229 -2.824 1.00 0.33 N ATOM 2063 CA LEU B 66 -22.358 -6.480 -3.972 1.00 0.34 C ATOM 2064 C LEU B 66 -22.205 -7.988 -4.185 1.00 0.39 C ATOM 2065 O LEU B 66 -22.003 -8.451 -5.290 1.00 0.42 O ATOM 2066 CB LEU B 66 -20.994 -5.851 -3.659 1.00 0.31 C ATOM 2067 CG LEU B 66 -21.027 -4.334 -3.947 1.00 0.28 C ATOM 2068 CD1 LEU B 66 -19.920 -3.634 -3.157 1.00 0.24 C ATOM 2069 CD2 LEU B 66 -20.795 -4.069 -5.445 1.00 0.30 C ATOM 0 H LEU B 66 -22.819 -5.889 -1.976 1.00 0.33 H new ATOM 0 HA LEU B 66 -22.765 -6.038 -4.881 1.00 0.34 H new ATOM 0 HB2 LEU B 66 -20.737 -6.025 -2.614 1.00 0.31 H new ATOM 0 HB3 LEU B 66 -20.220 -6.326 -4.261 1.00 0.31 H new ATOM 0 HG LEU B 66 -22.004 -3.950 -3.652 1.00 0.28 H new ATOM 0 HD11 LEU B 66 -19.947 -2.564 -3.363 1.00 0.24 H new ATOM 0 HD12 LEU B 66 -20.072 -3.802 -2.091 1.00 0.24 H new ATOM 0 HD13 LEU B 66 -18.951 -4.036 -3.453 1.00 0.24 H new ATOM 0 HD21 LEU B 66 -20.821 -2.996 -5.633 1.00 0.30 H new ATOM 0 HD22 LEU B 66 -19.823 -4.465 -5.738 1.00 0.30 H new ATOM 0 HD23 LEU B 66 -21.577 -4.558 -6.026 1.00 0.30 H new ATOM 2081 N GLU B 67 -22.308 -8.757 -3.140 1.00 0.40 N ATOM 2082 CA GLU B 67 -22.176 -10.236 -3.286 1.00 0.45 C ATOM 2083 C GLU B 67 -23.430 -10.782 -3.963 1.00 0.50 C ATOM 2084 O GLU B 67 -23.400 -11.795 -4.634 1.00 0.55 O ATOM 2085 CB GLU B 67 -22.033 -10.877 -1.905 1.00 0.46 C ATOM 2086 CG GLU B 67 -20.658 -10.546 -1.330 1.00 0.44 C ATOM 2087 CD GLU B 67 -20.420 -11.371 -0.065 1.00 1.13 C ATOM 2088 OE1 GLU B 67 -21.354 -11.522 0.706 1.00 1.81 O ATOM 2089 OE2 GLU B 67 -19.307 -11.841 0.112 1.00 1.88 O ATOM 0 H GLU B 67 -22.478 -8.428 -2.190 1.00 0.40 H new ATOM 0 HA GLU B 67 -21.296 -10.467 -3.886 1.00 0.45 H new ATOM 0 HB2 GLU B 67 -22.815 -10.511 -1.240 1.00 0.46 H new ATOM 0 HB3 GLU B 67 -22.158 -11.957 -1.979 1.00 0.46 H new ATOM 0 HG2 GLU B 67 -19.883 -10.759 -2.067 1.00 0.44 H new ATOM 0 HG3 GLU B 67 -20.595 -9.482 -1.100 1.00 0.44 H new