USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 SER OG : rot 180:sc= -0.129 USER MOD Set 1.2: B 44 THR OG1 : rot -101:sc= 0.278! USER MOD Set 1.3: B 47 SER OG : rot 150:sc= 0.725! USER MOD Set 2.1: A 44 THR OG1 : rot -101:sc= 0.292! USER MOD Set 2.2: A 47 SER OG : rot 150:sc= 0.879! USER MOD Set 2.3: B 5 SER OG : rot 180:sc= -0.142 USER MOD Single : A 9 THR OG1 : rot 164:sc= -0.359 USER MOD Single : A 14 SER OG : rot -84:sc= 1.63 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.265! USER MOD Single : A 19 LYS NZ :NH3+ -150:sc= -1.8 (180deg=-4.27!) USER MOD Single : A 23 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.087) USER MOD Single : A 28 TYR OH : rot -52:sc= 0.833 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 18:sc= -0.922 USER MOD Single : A 32 SER OG : rot 160:sc= 0.37 USER MOD Single : A 33 SER OG : rot -60:sc= -0.137 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 43 GLN : amide:sc= -2.6! C(o=-2.6!,f=-4.9!) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= 1.15 (180deg=0.887) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.5!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.522 K(o=-0.52,f=-0.021) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 164:sc= -0.358 USER MOD Single : B 14 SER OG : rot -83:sc= 1.66 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.426! USER MOD Single : B 19 LYS NZ :NH3+ -146:sc= -1.8 (180deg=-4.28!) USER MOD Single : B 23 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.091) USER MOD Single : B 28 TYR OH : rot -51:sc= 0.827 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 33:sc= -1.01 USER MOD Single : B 32 SER OG : rot 170:sc= 0.414 USER MOD Single : B 33 SER OG : rot 180:sc= -0.14 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc=-0.00324 X(o=-0.0032,f=-0.15) USER MOD Single : B 43 GLN : amide:sc= -2.66! C(o=-2.7!,f=-5!) USER MOD Single : B 45 LYS NZ :NH3+ -172:sc= 1.18 (180deg=0.746) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -1.21 K(o=-1.2,f=-4.7!) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= -0.548 K(o=-0.55,f=-0.002) 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 -11.068 9.885 -3.928 1.00 0.00 N ATOM 52 CA SER A 5 -11.635 9.798 -2.544 1.00 0.00 C ATOM 53 C SER A 5 -10.537 9.508 -1.507 1.00 0.00 C ATOM 54 O SER A 5 -9.937 10.416 -0.967 1.00 0.00 O ATOM 55 CB SER A 5 -12.679 8.690 -2.503 1.00 0.00 C ATOM 56 OG SER A 5 -13.628 8.900 -3.539 1.00 0.00 O ATOM 0 HA SER A 5 -12.090 10.757 -2.295 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.200 7.719 -2.625 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.178 8.680 -1.534 1.00 0.00 H new ATOM 0 HG SER A 5 -14.300 8.187 -3.516 1.00 0.00 H new ATOM 62 N ASP A 6 -10.280 8.254 -1.203 1.00 0.00 N ATOM 63 CA ASP A 6 -9.236 7.938 -0.179 1.00 0.00 C ATOM 64 C ASP A 6 -8.732 6.498 -0.369 1.00 0.00 C ATOM 65 O ASP A 6 -9.076 5.628 0.404 1.00 0.00 O ATOM 66 CB ASP A 6 -9.845 8.071 1.229 1.00 0.00 C ATOM 67 CG ASP A 6 -8.723 8.170 2.266 1.00 0.00 C ATOM 68 OD1 ASP A 6 -7.853 9.006 2.089 1.00 0.00 O ATOM 69 OD2 ASP A 6 -8.755 7.409 3.218 1.00 0.00 O ATOM 0 H ASP A 6 -10.744 7.446 -1.617 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.404 8.633 -0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.480 8.956 1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.479 7.211 1.445 1.00 0.00 H new ATOM 74 N PRO A 7 -7.933 6.276 -1.388 1.00 0.00 N ATOM 75 CA PRO A 7 -7.399 4.929 -1.656 1.00 0.00 C ATOM 76 C PRO A 7 -6.478 4.495 -0.493 1.00 0.00 C ATOM 77 O PRO A 7 -6.109 5.313 0.326 1.00 0.00 O ATOM 78 CB PRO A 7 -6.613 5.072 -2.984 1.00 0.00 C ATOM 79 CG PRO A 7 -6.719 6.561 -3.432 1.00 0.00 C ATOM 80 CD PRO A 7 -7.508 7.321 -2.343 1.00 0.00 C ATOM 0 HA PRO A 7 -8.175 4.168 -1.737 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.570 4.787 -2.845 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.025 4.412 -3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.727 6.994 -3.559 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.225 6.636 -4.394 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.887 8.073 -1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.366 7.842 -2.767 1.00 0.00 H new ATOM 88 N PRO A 8 -6.130 3.223 -0.453 1.00 0.00 N ATOM 89 CA PRO A 8 -5.249 2.693 0.610 1.00 0.00 C ATOM 90 C PRO A 8 -3.890 3.410 0.573 1.00 0.00 C ATOM 91 O PRO A 8 -3.764 4.497 0.045 1.00 0.00 O ATOM 92 CB PRO A 8 -5.099 1.186 0.285 1.00 0.00 C ATOM 93 CG PRO A 8 -5.823 0.929 -1.069 1.00 0.00 C ATOM 94 CD PRO A 8 -6.577 2.222 -1.444 1.00 0.00 C ATOM 0 HA PRO A 8 -5.654 2.848 1.610 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.047 0.911 0.216 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.536 0.577 1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.104 0.666 -1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.516 0.093 -0.980 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.339 2.538 -2.460 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.656 2.077 -1.400 1.00 0.00 H new ATOM 102 N THR A 9 -2.876 2.804 1.133 1.00 0.00 N ATOM 103 CA THR A 9 -1.525 3.440 1.136 1.00 0.00 C ATOM 104 C THR A 9 -0.451 2.356 1.169 1.00 0.00 C ATOM 105 O THR A 9 -0.452 1.486 2.018 1.00 0.00 O ATOM 106 CB THR A 9 -1.386 4.329 2.370 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.533 5.159 2.486 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.132 5.199 2.240 1.00 0.00 C ATOM 0 H THR A 9 -2.925 1.893 1.590 1.00 0.00 H new ATOM 0 HA THR A 9 -1.405 4.043 0.236 1.00 0.00 H new ATOM 0 HB THR A 9 -1.299 3.704 3.259 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.571 5.540 3.388 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.035 5.832 3.122 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.747 4.560 2.154 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.214 5.825 1.351 1.00 0.00 H new ATOM 116 N ALA A 10 0.467 2.404 0.247 1.00 0.00 N ATOM 117 CA ALA A 10 1.549 1.384 0.210 1.00 0.00 C ATOM 118 C ALA A 10 2.473 1.568 1.415 1.00 0.00 C ATOM 119 O ALA A 10 3.518 2.180 1.318 1.00 0.00 O ATOM 120 CB ALA A 10 2.353 1.559 -1.077 1.00 0.00 C ATOM 0 H ALA A 10 0.515 3.110 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 10 1.112 0.386 0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.149 0.815 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.696 1.429 -1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.789 2.558 -1.101 1.00 0.00 H new ATOM 126 N CYS A 11 2.097 1.033 2.549 1.00 0.00 N ATOM 127 CA CYS A 11 2.947 1.156 3.775 1.00 0.00 C ATOM 128 C CYS A 11 3.560 -0.211 4.085 1.00 0.00 C ATOM 129 O CYS A 11 2.890 -1.224 4.045 1.00 0.00 O ATOM 130 CB CYS A 11 2.078 1.608 4.953 1.00 0.00 C ATOM 131 SG CYS A 11 1.206 3.133 4.511 1.00 0.00 S ATOM 0 H CYS A 11 1.230 0.512 2.680 1.00 0.00 H new ATOM 0 HA CYS A 11 3.737 1.889 3.611 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.361 0.828 5.210 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.698 1.774 5.834 1.00 0.00 H new ATOM 136 N CYS A 12 4.830 -0.251 4.377 1.00 0.00 N ATOM 137 CA CYS A 12 5.484 -1.556 4.674 1.00 0.00 C ATOM 138 C CYS A 12 5.019 -2.070 6.037 1.00 0.00 C ATOM 139 O CYS A 12 4.861 -1.315 6.975 1.00 0.00 O ATOM 140 CB CYS A 12 7.004 -1.377 4.691 1.00 0.00 C ATOM 141 SG CYS A 12 7.576 -0.905 3.039 1.00 0.00 S ATOM 0 H CYS A 12 5.443 0.563 4.423 1.00 0.00 H new ATOM 0 HA CYS A 12 5.210 -2.276 3.903 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.283 -0.612 5.416 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.486 -2.303 5.003 1.00 0.00 H new ATOM 146 N PHE A 13 4.808 -3.357 6.150 1.00 0.00 N ATOM 147 CA PHE A 13 4.363 -3.949 7.451 1.00 0.00 C ATOM 148 C PHE A 13 5.564 -4.633 8.111 1.00 0.00 C ATOM 149 O PHE A 13 5.579 -4.888 9.299 1.00 0.00 O ATOM 150 CB PHE A 13 3.264 -4.983 7.187 1.00 0.00 C ATOM 151 CG PHE A 13 3.850 -6.157 6.442 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.110 -6.052 5.064 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.148 -7.350 7.128 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.666 -7.142 4.369 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.706 -8.440 6.436 1.00 0.00 C ATOM 156 CZ PHE A 13 4.965 -8.336 5.055 1.00 0.00 C ATOM 0 H PHE A 13 4.926 -4.029 5.392 1.00 0.00 H new ATOM 0 HA PHE A 13 3.973 -3.170 8.106 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.829 -5.316 8.129 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.459 -4.534 6.605 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.883 -5.136 4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.948 -7.428 8.186 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.863 -7.063 3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.935 -9.355 6.962 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.393 -9.172 4.522 1.00 0.00 H new ATOM 166 N SER A 14 6.572 -4.926 7.334 1.00 0.00 N ATOM 167 CA SER A 14 7.786 -5.591 7.883 1.00 0.00 C ATOM 168 C SER A 14 8.973 -5.283 6.968 1.00 0.00 C ATOM 169 O SER A 14 9.025 -4.243 6.342 1.00 0.00 O ATOM 170 CB SER A 14 7.561 -7.103 7.941 1.00 0.00 C ATOM 171 OG SER A 14 7.344 -7.596 6.624 1.00 0.00 O ATOM 0 H SER A 14 6.605 -4.731 6.333 1.00 0.00 H new ATOM 0 HA SER A 14 7.988 -5.222 8.889 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.425 -7.594 8.388 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.703 -7.331 8.573 1.00 0.00 H new ATOM 0 HG SER A 14 6.401 -7.481 6.383 1.00 0.00 H new ATOM 177 N TYR A 15 9.928 -6.170 6.880 1.00 0.00 N ATOM 178 CA TYR A 15 11.106 -5.908 5.998 1.00 0.00 C ATOM 179 C TYR A 15 11.737 -7.229 5.568 1.00 0.00 C ATOM 180 O TYR A 15 11.443 -8.278 6.107 1.00 0.00 O ATOM 181 CB TYR A 15 12.145 -5.080 6.763 1.00 0.00 C ATOM 182 CG TYR A 15 11.457 -3.972 7.523 1.00 0.00 C ATOM 183 CD1 TYR A 15 11.126 -2.770 6.871 1.00 0.00 C ATOM 184 CD2 TYR A 15 11.147 -4.144 8.886 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.484 -1.738 7.582 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.505 -3.111 9.596 1.00 0.00 C ATOM 187 CZ TYR A 15 10.173 -1.908 8.945 1.00 0.00 C ATOM 188 OH TYR A 15 9.543 -0.896 9.640 1.00 0.00 O ATOM 0 H TYR A 15 9.945 -7.060 7.377 1.00 0.00 H new ATOM 0 HA TYR A 15 10.775 -5.360 5.116 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.696 -5.719 7.453 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.872 -4.660 6.068 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.364 -2.639 5.826 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.401 -5.067 9.386 1.00 0.00 H new ATOM 0 HE1 TYR A 15 10.230 -0.815 7.082 1.00 0.00 H new ATOM 0 HE2 TYR A 15 10.267 -3.242 10.641 1.00 0.00 H new ATOM 0 HH TYR A 15 9.400 -1.176 10.568 1.00 0.00 H new ATOM 198 N THR A 16 12.608 -7.183 4.598 1.00 0.00 N ATOM 199 CA THR A 16 13.265 -8.438 4.134 1.00 0.00 C ATOM 200 C THR A 16 14.059 -9.046 5.293 1.00 0.00 C ATOM 201 O THR A 16 13.806 -8.759 6.446 1.00 0.00 O ATOM 202 CB THR A 16 14.188 -8.128 2.948 1.00 0.00 C ATOM 203 OG1 THR A 16 14.858 -9.312 2.540 1.00 0.00 O ATOM 204 CG2 THR A 16 15.215 -7.067 3.341 1.00 0.00 C ATOM 0 H THR A 16 12.893 -6.335 4.108 1.00 0.00 H new ATOM 0 HA THR A 16 12.512 -9.155 3.807 1.00 0.00 H new ATOM 0 HB THR A 16 13.585 -7.749 2.123 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.445 -9.111 1.782 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.864 -6.856 2.491 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.699 -6.154 3.639 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.816 -7.433 4.174 1.00 0.00 H new ATOM 212 N ALA A 17 15.017 -9.886 5.002 1.00 0.00 N ATOM 213 CA ALA A 17 15.826 -10.517 6.087 1.00 0.00 C ATOM 214 C ALA A 17 17.270 -10.651 5.610 1.00 0.00 C ATOM 215 O ALA A 17 18.086 -11.301 6.233 1.00 0.00 O ATOM 216 CB ALA A 17 15.261 -11.903 6.398 1.00 0.00 C ATOM 0 H ALA A 17 15.275 -10.164 4.055 1.00 0.00 H new ATOM 0 HA ALA A 17 15.789 -9.902 6.986 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.849 -12.367 7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.225 -11.809 6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.305 -12.523 5.503 1.00 0.00 H new ATOM 222 N ARG A 18 17.590 -10.035 4.503 1.00 0.00 N ATOM 223 CA ARG A 18 18.979 -10.112 3.965 1.00 0.00 C ATOM 224 C ARG A 18 19.352 -8.765 3.345 1.00 0.00 C ATOM 225 O ARG A 18 18.639 -8.234 2.517 1.00 0.00 O ATOM 226 CB ARG A 18 19.045 -11.203 2.896 1.00 0.00 C ATOM 227 CG ARG A 18 18.476 -12.508 3.462 1.00 0.00 C ATOM 228 CD ARG A 18 18.904 -13.680 2.580 1.00 0.00 C ATOM 229 NE ARG A 18 18.537 -13.396 1.164 1.00 0.00 N ATOM 230 CZ ARG A 18 19.065 -14.102 0.201 1.00 0.00 C ATOM 231 NH1 ARG A 18 19.914 -15.053 0.478 1.00 0.00 N ATOM 232 NH2 ARG A 18 18.744 -13.854 -1.039 1.00 0.00 N ATOM 0 H ARG A 18 16.943 -9.478 3.945 1.00 0.00 H new ATOM 0 HA ARG A 18 19.675 -10.349 4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.479 -10.899 2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.076 -11.352 2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.831 -12.659 4.482 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.388 -12.453 3.508 1.00 0.00 H new ATOM 0 HD2 ARG A 18 19.979 -13.838 2.663 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.420 -14.597 2.915 1.00 0.00 H new ATOM 0 HE ARG A 18 17.874 -12.651 0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.166 -15.245 1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.326 -15.604 -0.275 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.081 -13.109 -1.255 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.156 -14.405 -1.792 1.00 0.00 H new ATOM 246 N LYS A 19 20.463 -8.208 3.737 1.00 0.00 N ATOM 247 CA LYS A 19 20.876 -6.895 3.167 1.00 0.00 C ATOM 248 C LYS A 19 21.121 -7.058 1.664 1.00 0.00 C ATOM 249 O LYS A 19 21.835 -7.940 1.231 1.00 0.00 O ATOM 250 CB LYS A 19 22.153 -6.420 3.870 1.00 0.00 C ATOM 251 CG LYS A 19 22.786 -5.254 3.093 1.00 0.00 C ATOM 252 CD LYS A 19 23.732 -4.455 4.002 1.00 0.00 C ATOM 253 CE LYS A 19 25.077 -5.166 4.131 1.00 0.00 C ATOM 254 NZ LYS A 19 24.900 -6.451 4.862 1.00 0.00 N ATOM 0 H LYS A 19 21.102 -8.604 4.426 1.00 0.00 H new ATOM 0 HA LYS A 19 20.093 -6.153 3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 19 21.921 -6.105 4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 19 22.863 -7.244 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 19 23.335 -5.637 2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.005 -4.600 2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 19 23.880 -3.455 3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 19 23.282 -4.333 4.987 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.496 -5.354 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 19 25.786 -4.530 4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 25.771 -6.676 5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 24.109 -6.364 5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 24.697 -7.212 4.183 1.00 0.00 H new ATOM 268 N LEU A 20 20.520 -6.217 0.865 1.00 0.00 N ATOM 269 CA LEU A 20 20.700 -6.325 -0.610 1.00 0.00 C ATOM 270 C LEU A 20 22.105 -5.820 -1.013 1.00 0.00 C ATOM 271 O LEU A 20 22.398 -4.662 -0.788 1.00 0.00 O ATOM 272 CB LEU A 20 19.661 -5.441 -1.307 1.00 0.00 C ATOM 273 CG LEU A 20 18.296 -5.606 -0.641 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.260 -4.813 -1.435 1.00 0.00 C ATOM 275 CD2 LEU A 20 17.899 -7.083 -0.626 1.00 0.00 C ATOM 0 H LEU A 20 19.911 -5.459 1.172 1.00 0.00 H new ATOM 0 HA LEU A 20 20.583 -7.368 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.972 -4.397 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.594 -5.708 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 20 18.344 -5.239 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.281 -4.924 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.539 -3.759 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.219 -5.189 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.925 -7.193 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.847 -7.456 -1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.642 -7.654 -0.069 1.00 0.00 H new ATOM 287 N PRO A 21 22.938 -6.652 -1.619 1.00 0.00 N ATOM 288 CA PRO A 21 24.269 -6.189 -2.048 1.00 0.00 C ATOM 289 C PRO A 21 24.110 -4.986 -2.981 1.00 0.00 C ATOM 290 O PRO A 21 23.158 -4.900 -3.729 1.00 0.00 O ATOM 291 CB PRO A 21 24.887 -7.390 -2.802 1.00 0.00 C ATOM 292 CG PRO A 21 23.946 -8.607 -2.578 1.00 0.00 C ATOM 293 CD PRO A 21 22.655 -8.076 -1.921 1.00 0.00 C ATOM 0 HA PRO A 21 24.897 -5.874 -1.215 1.00 0.00 H new ATOM 0 HB2 PRO A 21 24.983 -7.169 -3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.889 -7.604 -2.429 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.721 -9.098 -3.525 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.424 -9.350 -1.940 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.801 -8.176 -2.591 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.416 -8.632 -1.015 1.00 0.00 H new ATOM 301 N ARG A 22 25.031 -4.065 -2.959 1.00 0.00 N ATOM 302 CA ARG A 22 24.916 -2.894 -3.871 1.00 0.00 C ATOM 303 C ARG A 22 24.653 -3.408 -5.291 1.00 0.00 C ATOM 304 O ARG A 22 23.981 -2.777 -6.081 1.00 0.00 O ATOM 305 CB ARG A 22 26.219 -2.091 -3.847 1.00 0.00 C ATOM 306 CG ARG A 22 25.989 -0.716 -4.493 1.00 0.00 C ATOM 307 CD ARG A 22 27.254 0.170 -4.360 1.00 0.00 C ATOM 308 NE ARG A 22 27.607 0.780 -5.687 1.00 0.00 N ATOM 309 CZ ARG A 22 27.800 0.048 -6.753 1.00 0.00 C ATOM 310 NH1 ARG A 22 27.778 -1.255 -6.670 1.00 0.00 N ATOM 311 NH2 ARG A 22 28.043 0.621 -7.900 1.00 0.00 N ATOM 0 H ARG A 22 25.852 -4.071 -2.354 1.00 0.00 H new ATOM 0 HA ARG A 22 24.099 -2.249 -3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.564 -1.969 -2.820 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.000 -2.630 -4.383 1.00 0.00 H new ATOM 0 HG2 ARG A 22 25.735 -0.841 -5.546 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.141 -0.222 -4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 22 27.080 0.956 -3.626 1.00 0.00 H new ATOM 0 HD3 ARG A 22 28.088 -0.428 -3.994 1.00 0.00 H new ATOM 0 HE ARG A 22 27.699 1.793 -5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 22 27.610 -1.706 -5.771 1.00 0.00 H new ATOM 0 HH12 ARG A 22 27.929 -1.822 -7.504 1.00 0.00 H new ATOM 0 HH21 ARG A 22 28.082 1.638 -7.964 1.00 0.00 H new ATOM 0 HH22 ARG A 22 28.194 0.052 -8.733 1.00 0.00 H new ATOM 325 N ASN A 23 25.184 -4.560 -5.608 1.00 0.00 N ATOM 326 CA ASN A 23 24.975 -5.138 -6.967 1.00 0.00 C ATOM 327 C ASN A 23 23.534 -5.649 -7.093 1.00 0.00 C ATOM 328 O ASN A 23 23.214 -6.399 -7.993 1.00 0.00 O ATOM 329 CB ASN A 23 25.964 -6.301 -7.182 1.00 0.00 C ATOM 330 CG ASN A 23 27.273 -5.766 -7.768 1.00 0.00 C ATOM 331 OD1 ASN A 23 28.343 -6.055 -7.271 1.00 0.00 O ATOM 332 ND2 ASN A 23 27.224 -4.990 -8.814 1.00 0.00 N ATOM 0 H ASN A 23 25.755 -5.127 -4.981 1.00 0.00 H new ATOM 0 HA ASN A 23 25.148 -4.371 -7.722 1.00 0.00 H new ATOM 0 HB2 ASN A 23 26.158 -6.805 -6.235 1.00 0.00 H new ATOM 0 HB3 ASN A 23 25.529 -7.041 -7.854 1.00 0.00 H new ATOM 0 HD21 ASN A 23 28.086 -4.623 -9.218 1.00 0.00 H new ATOM 0 HD22 ASN A 23 26.324 -4.749 -9.229 1.00 0.00 H new ATOM 339 N PHE A 24 22.667 -5.258 -6.196 1.00 0.00 N ATOM 340 CA PHE A 24 21.247 -5.733 -6.263 1.00 0.00 C ATOM 341 C PHE A 24 20.311 -4.572 -5.909 1.00 0.00 C ATOM 342 O PHE A 24 19.222 -4.769 -5.409 1.00 0.00 O ATOM 343 CB PHE A 24 21.064 -6.881 -5.255 1.00 0.00 C ATOM 344 CG PHE A 24 19.880 -7.742 -5.642 1.00 0.00 C ATOM 345 CD1 PHE A 24 19.892 -8.439 -6.867 1.00 0.00 C ATOM 346 CD2 PHE A 24 18.775 -7.860 -4.776 1.00 0.00 C ATOM 347 CE1 PHE A 24 18.801 -9.250 -7.225 1.00 0.00 C ATOM 348 CE2 PHE A 24 17.683 -8.671 -5.136 1.00 0.00 C ATOM 349 CZ PHE A 24 17.695 -9.366 -6.360 1.00 0.00 C ATOM 0 H PHE A 24 22.877 -4.631 -5.419 1.00 0.00 H new ATOM 0 HA PHE A 24 21.012 -6.087 -7.267 1.00 0.00 H new ATOM 0 HB2 PHE A 24 21.968 -7.489 -5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 24 20.914 -6.474 -4.255 1.00 0.00 H new ATOM 0 HD1 PHE A 24 20.739 -8.350 -7.531 1.00 0.00 H new ATOM 0 HD2 PHE A 24 18.766 -7.328 -3.836 1.00 0.00 H new ATOM 0 HE1 PHE A 24 18.811 -9.784 -8.163 1.00 0.00 H new ATOM 0 HE2 PHE A 24 16.835 -8.760 -4.473 1.00 0.00 H new ATOM 0 HZ PHE A 24 16.856 -9.988 -6.636 1.00 0.00 H new ATOM 359 N VAL A 25 20.732 -3.364 -6.173 1.00 0.00 N ATOM 360 CA VAL A 25 19.881 -2.176 -5.862 1.00 0.00 C ATOM 361 C VAL A 25 20.181 -1.076 -6.880 1.00 0.00 C ATOM 362 O VAL A 25 21.059 -0.259 -6.686 1.00 0.00 O ATOM 363 CB VAL A 25 20.202 -1.668 -4.454 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.257 -0.521 -4.091 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.021 -2.804 -3.444 1.00 0.00 C ATOM 0 H VAL A 25 21.635 -3.147 -6.594 1.00 0.00 H new ATOM 0 HA VAL A 25 18.828 -2.453 -5.911 1.00 0.00 H new ATOM 0 HB VAL A 25 21.233 -1.315 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.489 -0.162 -3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.381 0.293 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.227 -0.875 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.250 -2.440 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 25 18.990 -3.158 -3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.694 -3.624 -3.695 1.00 0.00 H new ATOM 375 N VAL A 26 19.463 -1.053 -7.971 1.00 0.00 N ATOM 376 CA VAL A 26 19.710 -0.014 -9.009 1.00 0.00 C ATOM 377 C VAL A 26 18.950 1.261 -8.649 1.00 0.00 C ATOM 378 O VAL A 26 19.169 2.307 -9.227 1.00 0.00 O ATOM 379 CB VAL A 26 19.224 -0.532 -10.361 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.139 -1.661 -10.833 1.00 0.00 C ATOM 381 CG2 VAL A 26 17.794 -1.062 -10.222 1.00 0.00 C ATOM 0 H VAL A 26 18.714 -1.711 -8.187 1.00 0.00 H new ATOM 0 HA VAL A 26 20.776 0.205 -9.061 1.00 0.00 H new ATOM 0 HB VAL A 26 19.242 0.280 -11.088 1.00 0.00 H new ATOM 0 HG11 VAL A 26 19.792 -2.031 -11.798 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.158 -1.286 -10.933 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.121 -2.472 -10.105 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.448 -1.432 -11.187 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.776 -1.874 -9.495 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.139 -0.258 -9.885 1.00 0.00 H new ATOM 391 N ASP A 27 18.060 1.187 -7.702 1.00 0.00 N ATOM 392 CA ASP A 27 17.294 2.403 -7.318 1.00 0.00 C ATOM 393 C ASP A 27 16.508 2.119 -6.044 1.00 0.00 C ATOM 394 O ASP A 27 16.658 1.082 -5.430 1.00 0.00 O ATOM 395 CB ASP A 27 16.325 2.772 -8.443 1.00 0.00 C ATOM 396 CG ASP A 27 15.792 4.188 -8.215 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.569 5.032 -7.799 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.616 4.404 -8.460 1.00 0.00 O ATOM 0 H ASP A 27 17.830 0.342 -7.179 1.00 0.00 H new ATOM 0 HA ASP A 27 17.982 3.231 -7.147 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.831 2.713 -9.407 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.499 2.062 -8.473 1.00 0.00 H new ATOM 403 N TYR A 28 15.669 3.029 -5.638 1.00 0.00 N ATOM 404 CA TYR A 28 14.875 2.799 -4.403 1.00 0.00 C ATOM 405 C TYR A 28 13.609 3.648 -4.431 1.00 0.00 C ATOM 406 O TYR A 28 13.301 4.309 -5.402 1.00 0.00 O ATOM 407 CB TYR A 28 15.713 3.140 -3.163 1.00 0.00 C ATOM 408 CG TYR A 28 15.856 4.642 -3.004 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.514 5.401 -3.993 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.341 5.281 -1.857 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.656 6.792 -3.836 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.484 6.671 -1.698 1.00 0.00 C ATOM 413 CZ TYR A 28 16.141 7.428 -2.688 1.00 0.00 C ATOM 414 OH TYR A 28 16.282 8.792 -2.534 1.00 0.00 O ATOM 0 H TYR A 28 15.500 3.919 -6.107 1.00 0.00 H new ATOM 0 HA TYR A 28 14.594 1.747 -4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.243 2.719 -2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.699 2.684 -3.249 1.00 0.00 H new ATOM 0 HD1 TYR A 28 16.910 4.914 -4.872 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.835 4.701 -1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.160 7.372 -4.595 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.091 7.158 -0.818 1.00 0.00 H new ATOM 0 HH TYR A 28 17.222 9.040 -2.658 1.00 0.00 H new ATOM 424 N TYR A 29 12.872 3.611 -3.367 1.00 0.00 N ATOM 425 CA TYR A 29 11.608 4.381 -3.290 1.00 0.00 C ATOM 426 C TYR A 29 11.216 4.501 -1.814 1.00 0.00 C ATOM 427 O TYR A 29 11.434 3.595 -1.041 1.00 0.00 O ATOM 428 CB TYR A 29 10.537 3.619 -4.089 1.00 0.00 C ATOM 429 CG TYR A 29 9.150 4.049 -3.673 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.740 5.378 -3.876 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.269 3.121 -3.081 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.449 5.784 -3.488 1.00 0.00 C ATOM 433 CE2 TYR A 29 6.977 3.525 -2.694 1.00 0.00 C ATOM 434 CZ TYR A 29 6.568 4.858 -2.897 1.00 0.00 C ATOM 435 OH TYR A 29 5.302 5.255 -2.516 1.00 0.00 O ATOM 0 H TYR A 29 13.095 3.070 -2.531 1.00 0.00 H new ATOM 0 HA TYR A 29 11.714 5.382 -3.709 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.674 3.801 -5.155 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.653 2.547 -3.931 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.416 6.088 -4.330 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.585 2.100 -2.924 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.134 6.805 -3.644 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.301 2.814 -2.242 1.00 0.00 H new ATOM 0 HH TYR A 29 4.824 4.494 -2.126 1.00 0.00 H new ATOM 445 N GLU A 30 10.645 5.605 -1.409 1.00 0.00 N ATOM 446 CA GLU A 30 10.243 5.760 0.027 1.00 0.00 C ATOM 447 C GLU A 30 8.741 5.495 0.161 1.00 0.00 C ATOM 448 O GLU A 30 7.991 5.616 -0.788 1.00 0.00 O ATOM 449 CB GLU A 30 10.558 7.184 0.494 1.00 0.00 C ATOM 450 CG GLU A 30 12.059 7.317 0.763 1.00 0.00 C ATOM 451 CD GLU A 30 12.400 8.783 1.038 1.00 0.00 C ATOM 452 OE1 GLU A 30 12.082 9.613 0.200 1.00 0.00 O ATOM 453 OE2 GLU A 30 12.972 9.052 2.081 1.00 0.00 O ATOM 0 H GLU A 30 10.439 6.406 -2.006 1.00 0.00 H new ATOM 0 HA GLU A 30 10.795 5.049 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.249 7.903 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.995 7.414 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.342 6.700 1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.626 6.955 -0.094 1.00 0.00 H new ATOM 460 N THR A 31 8.299 5.123 1.331 1.00 0.00 N ATOM 461 CA THR A 31 6.848 4.834 1.532 1.00 0.00 C ATOM 462 C THR A 31 6.044 6.133 1.537 1.00 0.00 C ATOM 463 O THR A 31 6.539 7.189 1.193 1.00 0.00 O ATOM 464 CB THR A 31 6.661 4.131 2.875 1.00 0.00 C ATOM 465 OG1 THR A 31 7.376 4.841 3.869 1.00 0.00 O ATOM 466 CG2 THR A 31 7.186 2.697 2.773 1.00 0.00 C ATOM 0 H THR A 31 8.881 5.006 2.160 1.00 0.00 H new ATOM 0 HA THR A 31 6.497 4.199 0.719 1.00 0.00 H new ATOM 0 HB THR A 31 5.604 4.104 3.140 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.578 5.744 3.545 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.054 2.192 3.730 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.634 2.161 2.001 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.245 2.715 2.515 1.00 0.00 H new ATOM 474 N SER A 32 4.802 6.057 1.931 1.00 0.00 N ATOM 475 CA SER A 32 3.946 7.273 1.971 1.00 0.00 C ATOM 476 C SER A 32 4.180 8.016 3.285 1.00 0.00 C ATOM 477 O SER A 32 5.271 8.033 3.820 1.00 0.00 O ATOM 478 CB SER A 32 2.477 6.860 1.878 1.00 0.00 C ATOM 479 OG SER A 32 1.676 8.018 1.685 1.00 0.00 O ATOM 0 H SER A 32 4.342 5.197 2.229 1.00 0.00 H new ATOM 0 HA SER A 32 4.198 7.924 1.134 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.335 6.163 1.052 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.174 6.342 2.788 1.00 0.00 H new ATOM 0 HG SER A 32 0.808 7.757 1.311 1.00 0.00 H new ATOM 485 N SER A 33 3.157 8.631 3.806 1.00 0.00 N ATOM 486 CA SER A 33 3.289 9.385 5.090 1.00 0.00 C ATOM 487 C SER A 33 2.035 9.151 5.925 1.00 0.00 C ATOM 488 O SER A 33 2.085 9.060 7.135 1.00 0.00 O ATOM 489 CB SER A 33 3.411 10.873 4.784 1.00 0.00 C ATOM 490 OG SER A 33 2.116 11.411 4.551 1.00 0.00 O ATOM 0 H SER A 33 2.223 8.646 3.395 1.00 0.00 H new ATOM 0 HA SER A 33 4.171 9.047 5.634 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.888 11.390 5.617 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.044 11.026 3.910 1.00 0.00 H new ATOM 0 HG SER A 33 1.704 10.953 3.789 1.00 0.00 H new ATOM 496 N LEU A 34 0.911 9.062 5.269 1.00 0.00 N ATOM 497 CA LEU A 34 -0.385 8.837 5.978 1.00 0.00 C ATOM 498 C LEU A 34 -0.200 7.846 7.126 1.00 0.00 C ATOM 499 O LEU A 34 -0.493 8.138 8.269 1.00 0.00 O ATOM 500 CB LEU A 34 -1.408 8.269 4.993 1.00 0.00 C ATOM 501 CG LEU A 34 -1.318 9.002 3.654 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.467 8.551 2.748 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.409 10.515 3.887 1.00 0.00 C ATOM 0 H LEU A 34 0.833 9.137 4.255 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.735 9.788 6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.229 7.204 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.413 8.369 5.403 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.366 8.769 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.404 9.073 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.397 7.476 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.419 8.782 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.345 11.035 2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.359 10.753 4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.588 10.834 4.530 1.00 0.00 H new ATOM 515 N CYS A 35 0.282 6.674 6.829 1.00 0.00 N ATOM 516 CA CYS A 35 0.480 5.662 7.900 1.00 0.00 C ATOM 517 C CYS A 35 1.642 6.101 8.800 1.00 0.00 C ATOM 518 O CYS A 35 2.705 6.449 8.334 1.00 0.00 O ATOM 519 CB CYS A 35 0.781 4.297 7.272 1.00 0.00 C ATOM 520 SG CYS A 35 1.871 4.502 5.841 1.00 0.00 S ATOM 0 H CYS A 35 0.547 6.373 5.891 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.426 5.578 8.500 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.251 3.645 8.008 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.148 3.815 6.966 1.00 0.00 H new ATOM 525 N SER A 36 1.429 6.115 10.086 1.00 0.00 N ATOM 526 CA SER A 36 2.503 6.549 11.031 1.00 0.00 C ATOM 527 C SER A 36 3.689 5.570 11.028 1.00 0.00 C ATOM 528 O SER A 36 4.340 5.392 12.038 1.00 0.00 O ATOM 529 CB SER A 36 1.923 6.628 12.443 1.00 0.00 C ATOM 530 OG SER A 36 1.363 5.369 12.792 1.00 0.00 O ATOM 0 H SER A 36 0.551 5.843 10.529 1.00 0.00 H new ATOM 0 HA SER A 36 2.867 7.524 10.708 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.703 6.902 13.154 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.160 7.405 12.492 1.00 0.00 H new ATOM 0 HG SER A 36 0.992 5.416 13.698 1.00 0.00 H new ATOM 536 N GLN A 37 3.993 4.930 9.925 1.00 0.00 N ATOM 537 CA GLN A 37 5.151 3.977 9.931 1.00 0.00 C ATOM 538 C GLN A 37 5.752 3.833 8.523 1.00 0.00 C ATOM 539 O GLN A 37 5.674 2.773 7.938 1.00 0.00 O ATOM 540 CB GLN A 37 4.670 2.606 10.416 1.00 0.00 C ATOM 541 CG GLN A 37 3.365 2.236 9.708 1.00 0.00 C ATOM 542 CD GLN A 37 3.059 0.756 9.941 1.00 0.00 C ATOM 543 OE1 GLN A 37 3.873 -0.097 9.648 1.00 0.00 O ATOM 544 NE2 GLN A 37 1.912 0.412 10.458 1.00 0.00 N ATOM 0 H GLN A 37 3.501 5.022 9.036 1.00 0.00 H new ATOM 0 HA GLN A 37 5.920 4.368 10.598 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.430 1.851 10.215 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.517 2.625 11.495 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.548 2.851 10.085 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.449 2.437 8.640 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.228 1.128 10.704 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.699 -0.573 10.616 1.00 0.00 H new ATOM 553 N PRO A 38 6.356 4.891 8.024 1.00 0.00 N ATOM 554 CA PRO A 38 6.993 4.860 6.692 1.00 0.00 C ATOM 555 C PRO A 38 8.256 3.987 6.750 1.00 0.00 C ATOM 556 O PRO A 38 8.626 3.474 7.787 1.00 0.00 O ATOM 557 CB PRO A 38 7.351 6.336 6.396 1.00 0.00 C ATOM 558 CG PRO A 38 7.104 7.145 7.704 1.00 0.00 C ATOM 559 CD PRO A 38 6.448 6.190 8.726 1.00 0.00 C ATOM 0 HA PRO A 38 6.350 4.440 5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.391 6.423 6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.738 6.724 5.583 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.043 7.538 8.095 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.457 8.000 7.509 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.048 6.108 9.633 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.463 6.548 9.026 1.00 0.00 H new ATOM 567 N ALA A 39 8.915 3.829 5.642 1.00 0.00 N ATOM 568 CA ALA A 39 10.152 3.013 5.595 1.00 0.00 C ATOM 569 C ALA A 39 10.817 3.250 4.243 1.00 0.00 C ATOM 570 O ALA A 39 10.243 3.870 3.371 1.00 0.00 O ATOM 571 CB ALA A 39 9.799 1.530 5.738 1.00 0.00 C ATOM 0 H ALA A 39 8.642 4.240 4.749 1.00 0.00 H new ATOM 0 HA ALA A 39 10.823 3.293 6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.711 0.934 5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.295 1.366 6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.140 1.233 4.923 1.00 0.00 H new ATOM 577 N VAL A 40 12.003 2.745 4.042 1.00 0.00 N ATOM 578 CA VAL A 40 12.673 2.929 2.721 1.00 0.00 C ATOM 579 C VAL A 40 12.424 1.666 1.903 1.00 0.00 C ATOM 580 O VAL A 40 12.373 0.574 2.434 1.00 0.00 O ATOM 581 CB VAL A 40 14.180 3.144 2.915 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.912 2.935 1.584 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.423 4.577 3.394 1.00 0.00 C ATOM 0 H VAL A 40 12.536 2.215 4.731 1.00 0.00 H new ATOM 0 HA VAL A 40 12.274 3.804 2.208 1.00 0.00 H new ATOM 0 HB VAL A 40 14.553 2.432 3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.981 3.089 1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.737 1.920 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.539 3.647 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.492 4.737 3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.045 5.278 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.905 4.737 4.340 1.00 0.00 H new ATOM 593 N VAL A 41 12.246 1.817 0.621 1.00 0.00 N ATOM 594 CA VAL A 41 11.971 0.641 -0.261 1.00 0.00 C ATOM 595 C VAL A 41 13.061 0.540 -1.332 1.00 0.00 C ATOM 596 O VAL A 41 13.242 1.433 -2.128 1.00 0.00 O ATOM 597 CB VAL A 41 10.599 0.844 -0.913 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.048 -0.491 -1.397 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.639 1.437 0.120 1.00 0.00 C ATOM 0 H VAL A 41 12.279 2.715 0.138 1.00 0.00 H new ATOM 0 HA VAL A 41 11.971 -0.282 0.318 1.00 0.00 H new ATOM 0 HB VAL A 41 10.701 1.519 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.073 -0.336 -1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.731 -0.923 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.945 -1.170 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.660 1.585 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.547 0.754 0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.025 2.395 0.468 1.00 0.00 H new ATOM 609 N PHE A 42 13.804 -0.537 -1.355 1.00 0.00 N ATOM 610 CA PHE A 42 14.895 -0.672 -2.371 1.00 0.00 C ATOM 611 C PHE A 42 14.379 -1.373 -3.630 1.00 0.00 C ATOM 612 O PHE A 42 13.661 -2.351 -3.565 1.00 0.00 O ATOM 613 CB PHE A 42 16.044 -1.498 -1.782 1.00 0.00 C ATOM 614 CG PHE A 42 16.824 -0.666 -0.789 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.535 0.468 -1.227 1.00 0.00 C ATOM 616 CD2 PHE A 42 16.845 -1.028 0.572 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.266 1.240 -0.304 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.578 -0.258 1.493 1.00 0.00 C ATOM 619 CZ PHE A 42 18.289 0.877 1.056 1.00 0.00 C ATOM 0 H PHE A 42 13.704 -1.327 -0.717 1.00 0.00 H new ATOM 0 HA PHE A 42 15.243 0.326 -2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.649 -2.388 -1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.703 -1.840 -2.580 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.520 0.745 -2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.298 -1.897 0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.809 2.111 -0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.596 -0.537 2.536 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.851 1.468 1.764 1.00 0.00 H new ATOM 629 N GLN A 43 14.778 -0.890 -4.780 1.00 0.00 N ATOM 630 CA GLN A 43 14.363 -1.525 -6.067 1.00 0.00 C ATOM 631 C GLN A 43 15.540 -2.381 -6.550 1.00 0.00 C ATOM 632 O GLN A 43 16.641 -1.881 -6.712 1.00 0.00 O ATOM 633 CB GLN A 43 14.046 -0.426 -7.083 1.00 0.00 C ATOM 634 CG GLN A 43 12.832 0.375 -6.607 1.00 0.00 C ATOM 635 CD GLN A 43 12.730 1.673 -7.409 1.00 0.00 C ATOM 636 OE1 GLN A 43 12.372 2.704 -6.876 1.00 0.00 O ATOM 637 NE2 GLN A 43 13.033 1.666 -8.679 1.00 0.00 N ATOM 0 H GLN A 43 15.381 -0.073 -4.882 1.00 0.00 H new ATOM 0 HA GLN A 43 13.475 -2.145 -5.942 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.906 0.233 -7.202 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.844 -0.866 -8.060 1.00 0.00 H new ATOM 0 HG2 GLN A 43 11.923 -0.214 -6.731 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.924 0.598 -5.544 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.334 0.800 -9.127 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.969 2.526 -9.223 1.00 0.00 H new ATOM 646 N THR A 44 15.348 -3.674 -6.732 1.00 0.00 N ATOM 647 CA THR A 44 16.511 -4.545 -7.142 1.00 0.00 C ATOM 648 C THR A 44 16.525 -4.822 -8.645 1.00 0.00 C ATOM 649 O THR A 44 15.976 -4.088 -9.442 1.00 0.00 O ATOM 650 CB THR A 44 16.428 -5.886 -6.416 1.00 0.00 C ATOM 651 OG1 THR A 44 15.538 -6.740 -7.116 1.00 0.00 O ATOM 652 CG2 THR A 44 15.907 -5.665 -4.996 1.00 0.00 C ATOM 0 H THR A 44 14.457 -4.157 -6.618 1.00 0.00 H new ATOM 0 HA THR A 44 17.421 -4.007 -6.878 1.00 0.00 H new ATOM 0 HB THR A 44 17.417 -6.341 -6.373 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.669 -6.750 -6.662 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.847 -6.622 -4.477 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.585 -5.002 -4.459 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.916 -5.213 -5.038 1.00 0.00 H new ATOM 660 N LYS A 45 17.181 -5.897 -9.021 1.00 0.00 N ATOM 661 CA LYS A 45 17.291 -6.285 -10.460 1.00 0.00 C ATOM 662 C LYS A 45 16.470 -7.555 -10.720 1.00 0.00 C ATOM 663 O LYS A 45 16.065 -7.818 -11.835 1.00 0.00 O ATOM 664 CB LYS A 45 18.762 -6.568 -10.787 1.00 0.00 C ATOM 665 CG LYS A 45 19.650 -5.466 -10.203 1.00 0.00 C ATOM 666 CD LYS A 45 21.113 -5.761 -10.546 1.00 0.00 C ATOM 667 CE LYS A 45 21.967 -4.522 -10.270 1.00 0.00 C ATOM 668 NZ LYS A 45 23.405 -4.913 -10.223 1.00 0.00 N ATOM 0 H LYS A 45 17.652 -6.531 -8.376 1.00 0.00 H new ATOM 0 HA LYS A 45 16.914 -5.475 -11.084 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.054 -7.536 -10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 45 18.899 -6.623 -11.867 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.358 -4.496 -10.606 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.521 -5.414 -9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.473 -6.602 -9.954 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.200 -6.049 -11.594 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.807 -3.776 -11.048 1.00 0.00 H new ATOM 0 HE3 LYS A 45 21.672 -4.066 -9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 23.962 -4.139 -9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.513 -5.768 -9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 23.744 -5.105 -11.187 1.00 0.00 H new ATOM 682 N ARG A 46 16.221 -8.343 -9.698 1.00 0.00 N ATOM 683 CA ARG A 46 15.422 -9.602 -9.873 1.00 0.00 C ATOM 684 C ARG A 46 14.355 -9.648 -8.783 1.00 0.00 C ATOM 685 O ARG A 46 14.239 -10.588 -8.028 1.00 0.00 O ATOM 686 CB ARG A 46 16.351 -10.830 -9.776 1.00 0.00 C ATOM 687 CG ARG A 46 15.583 -12.170 -9.904 1.00 0.00 C ATOM 688 CD ARG A 46 14.496 -12.107 -10.987 1.00 0.00 C ATOM 689 NE ARG A 46 13.317 -11.343 -10.494 1.00 0.00 N ATOM 690 CZ ARG A 46 12.436 -10.887 -11.341 1.00 0.00 C ATOM 691 NH1 ARG A 46 12.591 -11.096 -12.620 1.00 0.00 N ATOM 692 NH2 ARG A 46 11.402 -10.220 -10.911 1.00 0.00 N ATOM 0 H ARG A 46 16.539 -8.167 -8.745 1.00 0.00 H new ATOM 0 HA ARG A 46 14.945 -9.616 -10.853 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.106 -10.772 -10.560 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.878 -10.807 -8.822 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.285 -12.969 -10.141 1.00 0.00 H new ATOM 0 HG3 ARG A 46 15.127 -12.420 -8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.895 -11.634 -11.884 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.193 -13.116 -11.266 1.00 0.00 H new ATOM 0 HE ARG A 46 13.198 -11.176 -9.495 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.401 -11.616 -12.957 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.902 -10.739 -13.282 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.281 -10.054 -9.912 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.713 -9.864 -11.574 1.00 0.00 H new ATOM 706 N SER A 47 13.561 -8.629 -8.713 1.00 0.00 N ATOM 707 CA SER A 47 12.483 -8.592 -7.712 1.00 0.00 C ATOM 708 C SER A 47 11.562 -7.438 -8.074 1.00 0.00 C ATOM 709 O SER A 47 11.027 -7.372 -9.163 1.00 0.00 O ATOM 710 CB SER A 47 13.067 -8.405 -6.305 1.00 0.00 C ATOM 711 OG SER A 47 13.485 -7.059 -6.132 1.00 0.00 O ATOM 0 H SER A 47 13.616 -7.809 -9.317 1.00 0.00 H new ATOM 0 HA SER A 47 11.927 -9.530 -7.710 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.320 -8.663 -5.554 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.911 -9.079 -6.159 1.00 0.00 H new ATOM 0 HG SER A 47 13.400 -6.809 -5.188 1.00 0.00 H new ATOM 717 N LYS A 48 11.386 -6.528 -7.185 1.00 0.00 N ATOM 718 CA LYS A 48 10.525 -5.368 -7.460 1.00 0.00 C ATOM 719 C LYS A 48 10.898 -4.296 -6.449 1.00 0.00 C ATOM 720 O LYS A 48 11.805 -3.513 -6.658 1.00 0.00 O ATOM 721 CB LYS A 48 9.060 -5.791 -7.299 1.00 0.00 C ATOM 722 CG LYS A 48 8.118 -4.608 -7.585 1.00 0.00 C ATOM 723 CD LYS A 48 7.869 -4.486 -9.092 1.00 0.00 C ATOM 724 CE LYS A 48 6.874 -3.354 -9.355 1.00 0.00 C ATOM 725 NZ LYS A 48 6.866 -3.027 -10.809 1.00 0.00 N ATOM 0 H LYS A 48 11.811 -6.537 -6.258 1.00 0.00 H new ATOM 0 HA LYS A 48 10.657 -4.988 -8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.837 -6.613 -7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.892 -6.160 -6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.172 -4.752 -7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.555 -3.685 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.807 -4.288 -9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.479 -5.425 -9.484 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.876 -3.651 -9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.148 -2.473 -8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.190 -2.257 -10.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.818 -2.727 -11.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.585 -3.868 -11.352 1.00 0.00 H new ATOM 739 N GLN A 49 10.213 -4.287 -5.339 1.00 0.00 N ATOM 740 CA GLN A 49 10.491 -3.304 -4.260 1.00 0.00 C ATOM 741 C GLN A 49 10.735 -4.090 -2.961 1.00 0.00 C ATOM 742 O GLN A 49 10.093 -5.095 -2.701 1.00 0.00 O ATOM 743 CB GLN A 49 9.257 -2.385 -4.123 1.00 0.00 C ATOM 744 CG GLN A 49 9.506 -1.036 -4.817 1.00 0.00 C ATOM 745 CD GLN A 49 8.337 -0.093 -4.533 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.533 -0.348 -3.658 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.205 0.997 -5.241 1.00 0.00 N ATOM 0 H GLN A 49 9.454 -4.937 -5.132 1.00 0.00 H new ATOM 0 HA GLN A 49 11.366 -2.693 -4.479 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.385 -2.870 -4.562 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.034 -2.222 -3.069 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.437 -0.597 -4.458 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.616 -1.183 -5.891 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.879 1.213 -5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.428 1.632 -5.059 1.00 0.00 H new ATOM 756 N VAL A 50 11.670 -3.650 -2.152 1.00 0.00 N ATOM 757 CA VAL A 50 11.971 -4.371 -0.871 1.00 0.00 C ATOM 758 C VAL A 50 11.900 -3.385 0.285 1.00 0.00 C ATOM 759 O VAL A 50 12.624 -2.416 0.326 1.00 0.00 O ATOM 760 CB VAL A 50 13.389 -4.980 -0.915 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.498 -6.078 0.154 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.699 -5.563 -2.320 1.00 0.00 C ATOM 0 H VAL A 50 12.239 -2.821 -2.323 1.00 0.00 H new ATOM 0 HA VAL A 50 11.241 -5.170 -0.738 1.00 0.00 H new ATOM 0 HB VAL A 50 14.119 -4.196 -0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.497 -6.513 0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.315 -5.647 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.759 -6.854 -0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.704 -5.986 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.976 -6.343 -2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.636 -4.770 -3.065 1.00 0.00 H new ATOM 772 N CYS A 51 11.053 -3.638 1.234 1.00 0.00 N ATOM 773 CA CYS A 51 10.948 -2.720 2.395 1.00 0.00 C ATOM 774 C CYS A 51 12.184 -2.899 3.271 1.00 0.00 C ATOM 775 O CYS A 51 12.705 -3.988 3.405 1.00 0.00 O ATOM 776 CB CYS A 51 9.693 -3.062 3.196 1.00 0.00 C ATOM 777 SG CYS A 51 8.224 -2.638 2.227 1.00 0.00 S ATOM 0 H CYS A 51 10.427 -4.443 1.257 1.00 0.00 H new ATOM 0 HA CYS A 51 10.884 -1.686 2.055 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.685 -4.124 3.443 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.690 -2.515 4.139 1.00 0.00 H new ATOM 782 N ALA A 52 12.671 -1.836 3.856 1.00 0.00 N ATOM 783 CA ALA A 52 13.893 -1.938 4.711 1.00 0.00 C ATOM 784 C ALA A 52 13.733 -1.052 5.948 1.00 0.00 C ATOM 785 O ALA A 52 13.321 0.089 5.860 1.00 0.00 O ATOM 786 CB ALA A 52 15.107 -1.464 3.910 1.00 0.00 C ATOM 0 H ALA A 52 12.275 -0.899 3.779 1.00 0.00 H new ATOM 0 HA ALA A 52 14.032 -2.974 5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.002 -1.536 4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.226 -2.090 3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.960 -0.428 3.605 1.00 0.00 H new ATOM 792 N ASP A 53 14.059 -1.573 7.099 1.00 0.00 N ATOM 793 CA ASP A 53 13.931 -0.774 8.350 1.00 0.00 C ATOM 794 C ASP A 53 14.979 0.369 8.340 1.00 0.00 C ATOM 795 O ASP A 53 16.157 0.083 8.283 1.00 0.00 O ATOM 796 CB ASP A 53 14.207 -1.685 9.548 1.00 0.00 C ATOM 797 CG ASP A 53 15.540 -2.406 9.343 1.00 0.00 C ATOM 798 OD1 ASP A 53 16.093 -2.291 8.262 1.00 0.00 O ATOM 799 OD2 ASP A 53 15.984 -3.063 10.270 1.00 0.00 O ATOM 0 H ASP A 53 14.410 -2.522 7.227 1.00 0.00 H new ATOM 0 HA ASP A 53 12.928 -0.354 8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.236 -1.098 10.466 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.402 -2.411 9.660 1.00 0.00 H new ATOM 804 N PRO A 54 14.560 1.631 8.397 1.00 0.00 N ATOM 805 CA PRO A 54 15.530 2.750 8.393 1.00 0.00 C ATOM 806 C PRO A 54 16.450 2.664 9.622 1.00 0.00 C ATOM 807 O PRO A 54 17.374 3.438 9.771 1.00 0.00 O ATOM 808 CB PRO A 54 14.668 4.031 8.445 1.00 0.00 C ATOM 809 CG PRO A 54 13.176 3.596 8.506 1.00 0.00 C ATOM 810 CD PRO A 54 13.139 2.052 8.465 1.00 0.00 C ATOM 0 HA PRO A 54 16.176 2.731 7.515 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.927 4.631 9.317 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.850 4.650 7.567 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.706 3.966 9.417 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.620 4.015 7.667 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.650 1.646 9.351 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.580 1.694 7.600 1.00 0.00 H new ATOM 818 N SER A 55 16.190 1.746 10.506 1.00 0.00 N ATOM 819 CA SER A 55 17.032 1.631 11.731 1.00 0.00 C ATOM 820 C SER A 55 18.377 0.982 11.390 1.00 0.00 C ATOM 821 O SER A 55 19.342 1.125 12.114 1.00 0.00 O ATOM 822 CB SER A 55 16.304 0.772 12.765 1.00 0.00 C ATOM 823 OG SER A 55 15.176 1.484 13.256 1.00 0.00 O ATOM 0 H SER A 55 15.431 1.068 10.436 1.00 0.00 H new ATOM 0 HA SER A 55 17.211 2.628 12.135 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.987 -0.169 12.315 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.976 0.522 13.586 1.00 0.00 H new ATOM 0 HG SER A 55 14.706 0.935 13.918 1.00 0.00 H new ATOM 829 N GLU A 56 18.456 0.272 10.297 1.00 0.00 N ATOM 830 CA GLU A 56 19.749 -0.374 9.926 1.00 0.00 C ATOM 831 C GLU A 56 20.652 0.657 9.237 1.00 0.00 C ATOM 832 O GLU A 56 20.315 1.219 8.213 1.00 0.00 O ATOM 833 CB GLU A 56 19.480 -1.551 8.986 1.00 0.00 C ATOM 834 CG GLU A 56 19.031 -2.771 9.797 1.00 0.00 C ATOM 835 CD GLU A 56 20.228 -3.352 10.552 1.00 0.00 C ATOM 836 OE1 GLU A 56 21.111 -3.888 9.901 1.00 0.00 O ATOM 837 OE2 GLU A 56 20.243 -3.251 11.767 1.00 0.00 O ATOM 0 H GLU A 56 17.686 0.112 9.648 1.00 0.00 H new ATOM 0 HA GLU A 56 20.248 -0.743 10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.711 -1.281 8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.381 -1.790 8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.248 -2.485 10.500 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.605 -3.524 9.134 1.00 0.00 H new ATOM 844 N SER A 57 21.789 0.915 9.814 1.00 0.00 N ATOM 845 CA SER A 57 22.734 1.916 9.242 1.00 0.00 C ATOM 846 C SER A 57 22.995 1.662 7.753 1.00 0.00 C ATOM 847 O SER A 57 23.094 2.589 6.973 1.00 0.00 O ATOM 848 CB SER A 57 24.060 1.844 10.000 1.00 0.00 C ATOM 849 OG SER A 57 23.830 2.130 11.373 1.00 0.00 O ATOM 0 H SER A 57 22.111 0.468 10.673 1.00 0.00 H new ATOM 0 HA SER A 57 22.283 2.903 9.345 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.501 0.853 9.892 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.771 2.557 9.582 1.00 0.00 H new ATOM 0 HG SER A 57 24.677 2.083 11.863 1.00 0.00 H new ATOM 855 N TRP A 58 23.135 0.430 7.344 1.00 0.00 N ATOM 856 CA TRP A 58 23.420 0.173 5.903 1.00 0.00 C ATOM 857 C TRP A 58 22.280 0.718 5.050 1.00 0.00 C ATOM 858 O TRP A 58 22.479 1.130 3.925 1.00 0.00 O ATOM 859 CB TRP A 58 23.639 -1.325 5.652 1.00 0.00 C ATOM 860 CG TRP A 58 22.356 -2.085 5.669 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.954 -2.890 6.678 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.326 -2.176 4.639 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.746 -3.466 6.340 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.309 -3.054 5.100 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.168 -1.584 3.363 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.177 -3.339 4.325 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.028 -1.868 2.579 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.034 -2.743 3.062 1.00 0.00 C ATOM 0 H TRP A 58 23.066 -0.399 7.935 1.00 0.00 H new ATOM 0 HA TRP A 58 24.339 0.688 5.622 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.130 -1.464 4.689 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.309 -1.726 6.412 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.491 -3.056 7.600 1.00 0.00 H new ATOM 0 HE1 TRP A 58 20.238 -4.119 6.937 1.00 0.00 H new ATOM 0 HE3 TRP A 58 21.924 -0.911 2.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.419 -4.013 4.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 19.917 -1.413 1.606 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.162 -2.955 2.460 1.00 0.00 H new ATOM 879 N VAL A 59 21.093 0.758 5.577 1.00 0.00 N ATOM 880 CA VAL A 59 19.961 1.307 4.785 1.00 0.00 C ATOM 881 C VAL A 59 20.201 2.796 4.575 1.00 0.00 C ATOM 882 O VAL A 59 20.092 3.306 3.480 1.00 0.00 O ATOM 883 CB VAL A 59 18.656 1.090 5.550 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.488 1.703 4.773 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.437 -0.411 5.719 1.00 0.00 C ATOM 0 H VAL A 59 20.857 0.437 6.516 1.00 0.00 H new ATOM 0 HA VAL A 59 19.891 0.804 3.820 1.00 0.00 H new ATOM 0 HB VAL A 59 18.713 1.570 6.527 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.561 1.544 5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.657 2.772 4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.414 1.229 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.509 -0.584 6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.376 -0.882 4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.270 -0.840 6.276 1.00 0.00 H new ATOM 895 N GLN A 60 20.547 3.495 5.617 1.00 0.00 N ATOM 896 CA GLN A 60 20.815 4.952 5.469 1.00 0.00 C ATOM 897 C GLN A 60 22.040 5.151 4.571 1.00 0.00 C ATOM 898 O GLN A 60 22.096 6.065 3.773 1.00 0.00 O ATOM 899 CB GLN A 60 21.083 5.566 6.845 1.00 0.00 C ATOM 900 CG GLN A 60 21.373 7.060 6.691 1.00 0.00 C ATOM 901 CD GLN A 60 21.438 7.712 8.073 1.00 0.00 C ATOM 902 OE1 GLN A 60 22.331 8.489 8.348 1.00 0.00 O ATOM 903 NE2 GLN A 60 20.524 7.428 8.959 1.00 0.00 N ATOM 0 H GLN A 60 20.656 3.124 6.561 1.00 0.00 H new ATOM 0 HA GLN A 60 19.950 5.439 5.020 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.221 5.417 7.495 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.929 5.068 7.319 1.00 0.00 H new ATOM 0 HG2 GLN A 60 22.316 7.206 6.164 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.595 7.532 6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.775 6.776 8.728 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.559 7.858 9.883 1.00 0.00 H new ATOM 912 N GLU A 61 23.021 4.300 4.700 1.00 0.00 N ATOM 913 CA GLU A 61 24.249 4.431 3.861 1.00 0.00 C ATOM 914 C GLU A 61 23.907 4.198 2.388 1.00 0.00 C ATOM 915 O GLU A 61 24.288 4.964 1.523 1.00 0.00 O ATOM 916 CB GLU A 61 25.285 3.400 4.312 1.00 0.00 C ATOM 917 CG GLU A 61 26.640 3.729 3.683 1.00 0.00 C ATOM 918 CD GLU A 61 27.242 4.952 4.378 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.371 4.916 5.591 1.00 0.00 O ATOM 920 OE2 GLU A 61 27.564 5.903 3.686 1.00 0.00 O ATOM 0 H GLU A 61 23.026 3.516 5.353 1.00 0.00 H new ATOM 0 HA GLU A 61 24.654 5.436 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.367 3.402 5.399 1.00 0.00 H new ATOM 0 HB3 GLU A 61 24.969 2.399 4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 61 27.313 2.877 3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 61 26.520 3.925 2.618 1.00 0.00 H new ATOM 927 N TYR A 62 23.198 3.146 2.093 1.00 0.00 N ATOM 928 CA TYR A 62 22.837 2.859 0.673 1.00 0.00 C ATOM 929 C TYR A 62 21.984 4.006 0.120 1.00 0.00 C ATOM 930 O TYR A 62 22.092 4.367 -1.035 1.00 0.00 O ATOM 931 CB TYR A 62 22.048 1.540 0.593 1.00 0.00 C ATOM 932 CG TYR A 62 22.992 0.348 0.583 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.019 0.233 1.544 1.00 0.00 C ATOM 934 CD2 TYR A 62 22.835 -0.656 -0.397 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.882 -0.881 1.523 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.700 -1.767 -0.415 1.00 0.00 C ATOM 937 CZ TYR A 62 24.722 -1.879 0.545 1.00 0.00 C ATOM 938 OH TYR A 62 25.570 -2.969 0.527 1.00 0.00 O ATOM 0 H TYR A 62 22.851 2.470 2.773 1.00 0.00 H new ATOM 0 HA TYR A 62 23.747 2.767 0.081 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.369 1.465 1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.434 1.532 -0.308 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.144 0.999 2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.050 -0.572 -1.134 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.667 -0.968 2.259 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.579 -2.533 -1.166 1.00 0.00 H new ATOM 0 HH TYR A 62 25.322 -3.564 -0.211 1.00 0.00 H new ATOM 948 N VAL A 63 21.149 4.589 0.933 1.00 0.00 N ATOM 949 CA VAL A 63 20.309 5.713 0.446 1.00 0.00 C ATOM 950 C VAL A 63 21.225 6.880 0.111 1.00 0.00 C ATOM 951 O VAL A 63 21.046 7.569 -0.872 1.00 0.00 O ATOM 952 CB VAL A 63 19.322 6.122 1.543 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.629 7.433 1.160 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.269 5.022 1.713 1.00 0.00 C ATOM 0 H VAL A 63 21.013 4.335 1.912 1.00 0.00 H new ATOM 0 HA VAL A 63 19.747 5.415 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 63 19.863 6.263 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.929 7.717 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.376 8.217 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.089 7.299 0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.565 5.310 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.733 4.883 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.759 4.089 1.993 1.00 0.00 H new ATOM 964 N TYR A 64 22.212 7.100 0.928 1.00 0.00 N ATOM 965 CA TYR A 64 23.152 8.217 0.671 1.00 0.00 C ATOM 966 C TYR A 64 23.888 7.959 -0.641 1.00 0.00 C ATOM 967 O TYR A 64 24.063 8.841 -1.457 1.00 0.00 O ATOM 968 CB TYR A 64 24.163 8.300 1.819 1.00 0.00 C ATOM 969 CG TYR A 64 24.830 9.657 1.818 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.129 10.785 2.285 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.152 9.793 1.351 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.749 12.050 2.284 1.00 0.00 C ATOM 973 CE2 TYR A 64 26.771 11.058 1.351 1.00 0.00 C ATOM 974 CZ TYR A 64 26.071 12.185 1.817 1.00 0.00 C ATOM 975 OH TYR A 64 26.678 13.425 1.816 1.00 0.00 O ATOM 0 H TYR A 64 22.408 6.552 1.765 1.00 0.00 H new ATOM 0 HA TYR A 64 22.603 9.156 0.603 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.660 8.133 2.771 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.913 7.516 1.713 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.116 10.681 2.644 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.690 8.928 0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.211 12.916 2.641 1.00 0.00 H new ATOM 0 HE2 TYR A 64 27.784 11.163 0.993 1.00 0.00 H new ATOM 0 HH TYR A 64 27.589 13.343 1.464 1.00 0.00 H new ATOM 985 N ASP A 65 24.320 6.750 -0.841 1.00 0.00 N ATOM 986 CA ASP A 65 25.052 6.409 -2.093 1.00 0.00 C ATOM 987 C ASP A 65 24.138 6.629 -3.300 1.00 0.00 C ATOM 988 O ASP A 65 24.574 7.034 -4.359 1.00 0.00 O ATOM 989 CB ASP A 65 25.484 4.939 -2.035 1.00 0.00 C ATOM 990 CG ASP A 65 26.723 4.799 -1.148 1.00 0.00 C ATOM 991 OD1 ASP A 65 26.861 5.586 -0.227 1.00 0.00 O ATOM 992 OD2 ASP A 65 27.513 3.905 -1.406 1.00 0.00 O ATOM 0 H ASP A 65 24.198 5.976 -0.188 1.00 0.00 H new ATOM 0 HA ASP A 65 25.930 7.047 -2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.672 4.327 -1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.701 4.574 -3.039 1.00 0.00 H new ATOM 997 N LEU A 66 22.873 6.362 -3.146 1.00 0.00 N ATOM 998 CA LEU A 66 21.921 6.550 -4.276 1.00 0.00 C ATOM 999 C LEU A 66 21.699 8.046 -4.518 1.00 0.00 C ATOM 1000 O LEU A 66 21.431 8.473 -5.622 1.00 0.00 O ATOM 1001 CB LEU A 66 20.592 5.873 -3.915 1.00 0.00 C ATOM 1002 CG LEU A 66 20.680 4.353 -4.173 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.621 3.624 -3.342 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.426 4.047 -5.658 1.00 0.00 C ATOM 0 H LEU A 66 22.454 6.020 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 66 22.325 6.105 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.354 6.058 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 66 19.784 6.303 -4.506 1.00 0.00 H new ATOM 0 HG LEU A 66 21.678 4.016 -3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.687 2.552 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.791 3.820 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.630 3.980 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.491 2.972 -5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.432 4.398 -5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.174 4.554 -6.267 1.00 0.00 H new ATOM 1016 N GLU A 67 21.815 8.841 -3.494 1.00 0.00 N ATOM 1017 CA GLU A 67 21.617 10.309 -3.663 1.00 0.00 C ATOM 1018 C GLU A 67 22.814 10.893 -4.412 1.00 0.00 C ATOM 1019 O GLU A 67 22.699 11.868 -5.128 1.00 0.00 O ATOM 1020 CB GLU A 67 21.515 10.968 -2.286 1.00 0.00 C ATOM 1021 CG GLU A 67 20.217 10.531 -1.600 1.00 0.00 C ATOM 1022 CD GLU A 67 19.039 11.339 -2.153 1.00 0.00 C ATOM 1023 OE1 GLU A 67 19.123 12.556 -2.137 1.00 0.00 O ATOM 1024 OE2 GLU A 67 18.075 10.726 -2.581 1.00 0.00 O ATOM 0 H GLU A 67 22.039 8.540 -2.546 1.00 0.00 H new ATOM 0 HA GLU A 67 20.702 10.494 -4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.373 10.689 -1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.536 12.053 -2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.049 9.467 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.297 10.678 -0.523 1.00 0.00 H new ATOM 1116 N SER B 5 10.973 -9.882 -3.758 1.00 0.00 N ATOM 1117 CA SER B 5 11.536 -9.776 -2.375 1.00 0.00 C ATOM 1118 C SER B 5 10.435 -9.472 -1.345 1.00 0.00 C ATOM 1119 O SER B 5 9.833 -10.371 -0.793 1.00 0.00 O ATOM 1120 CB SER B 5 12.579 -8.667 -2.345 1.00 0.00 C ATOM 1121 OG SER B 5 13.532 -8.892 -3.376 1.00 0.00 O ATOM 0 HA SER B 5 11.991 -10.731 -2.113 1.00 0.00 H new ATOM 0 HB2 SER B 5 12.100 -7.697 -2.482 1.00 0.00 H new ATOM 0 HB3 SER B 5 13.074 -8.644 -1.374 1.00 0.00 H new ATOM 0 HG SER B 5 14.204 -8.179 -3.361 1.00 0.00 H new ATOM 1127 N ASP B 6 10.177 -8.213 -1.059 1.00 0.00 N ATOM 1128 CA ASP B 6 9.130 -7.883 -0.042 1.00 0.00 C ATOM 1129 C ASP B 6 8.626 -6.447 -0.254 1.00 0.00 C ATOM 1130 O ASP B 6 8.968 -5.564 0.508 1.00 0.00 O ATOM 1131 CB ASP B 6 9.735 -7.996 1.369 1.00 0.00 C ATOM 1132 CG ASP B 6 8.611 -8.080 2.404 1.00 0.00 C ATOM 1133 OD1 ASP B 6 7.741 -8.919 2.236 1.00 0.00 O ATOM 1134 OD2 ASP B 6 8.641 -7.306 3.346 1.00 0.00 O ATOM 0 H ASP B 6 10.642 -7.410 -1.483 1.00 0.00 H new ATOM 0 HA ASP B 6 8.299 -8.580 -0.150 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.370 -8.880 1.434 1.00 0.00 H new ATOM 0 HB3 ASP B 6 10.368 -7.133 1.574 1.00 0.00 H new ATOM 1139 N PRO B 7 7.830 -6.238 -1.278 1.00 0.00 N ATOM 1140 CA PRO B 7 7.297 -4.895 -1.567 1.00 0.00 C ATOM 1141 C PRO B 7 6.373 -4.444 -0.413 1.00 0.00 C ATOM 1142 O PRO B 7 6.001 -5.251 0.417 1.00 0.00 O ATOM 1143 CB PRO B 7 6.515 -5.057 -2.894 1.00 0.00 C ATOM 1144 CG PRO B 7 6.623 -6.553 -3.321 1.00 0.00 C ATOM 1145 CD PRO B 7 7.408 -7.296 -2.219 1.00 0.00 C ATOM 0 HA PRO B 7 8.074 -4.136 -1.657 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.472 -4.770 -2.762 1.00 0.00 H new ATOM 0 HB3 PRO B 7 6.929 -4.407 -3.665 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.632 -6.989 -3.445 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.133 -6.642 -4.280 1.00 0.00 H new ATOM 0 HD2 PRO B 7 6.785 -8.041 -1.723 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.268 -7.823 -2.633 1.00 0.00 H new ATOM 1153 N PRO B 8 6.025 -3.173 -0.391 1.00 0.00 N ATOM 1154 CA PRO B 8 5.141 -2.627 0.661 1.00 0.00 C ATOM 1155 C PRO B 8 3.782 -3.344 0.631 1.00 0.00 C ATOM 1156 O PRO B 8 3.657 -4.439 0.118 1.00 0.00 O ATOM 1157 CB PRO B 8 4.993 -1.125 0.315 1.00 0.00 C ATOM 1158 CG PRO B 8 5.720 -0.886 -1.040 1.00 0.00 C ATOM 1159 CD PRO B 8 6.475 -2.186 -1.395 1.00 0.00 C ATOM 0 HA PRO B 8 5.543 -2.768 1.664 1.00 0.00 H new ATOM 0 HB2 PRO B 8 3.941 -0.850 0.240 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.429 -0.506 1.099 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.003 -0.633 -1.821 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.413 -0.049 -0.961 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.239 -2.516 -2.407 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.554 -2.041 -1.350 1.00 0.00 H new ATOM 1167 N THR B 9 2.767 -2.730 1.180 1.00 0.00 N ATOM 1168 CA THR B 9 1.416 -3.366 1.187 1.00 0.00 C ATOM 1169 C THR B 9 0.341 -2.282 1.202 1.00 0.00 C ATOM 1170 O THR B 9 0.341 -1.400 2.039 1.00 0.00 O ATOM 1171 CB THR B 9 1.272 -4.238 2.435 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.420 -5.065 2.565 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.019 -5.111 2.312 1.00 0.00 C ATOM 0 H THR B 9 2.815 -1.813 1.625 1.00 0.00 H new ATOM 0 HA THR B 9 1.300 -3.981 0.294 1.00 0.00 H new ATOM 0 HB THR B 9 1.180 -3.602 3.315 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.464 -5.423 3.476 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.081 -5.731 3.203 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.860 -4.474 2.213 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.105 -5.750 1.433 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.574 -2.344 0.279 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.657 -1.325 0.225 1.00 0.00 C ATOM 1183 C ALA B 10 -2.583 -1.491 1.430 1.00 0.00 C ATOM 1184 O ALA B 10 -3.628 -2.105 1.338 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.457 -1.517 -1.062 1.00 0.00 C ATOM 0 H ALA B 10 -0.619 -3.061 -0.445 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.221 -0.326 0.245 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.253 -0.774 -1.110 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.797 -1.398 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.892 -2.516 -1.074 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.210 -0.940 2.557 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.063 -1.046 3.783 1.00 0.00 C ATOM 1193 C CYS B 11 -3.677 0.325 4.071 1.00 0.00 C ATOM 1194 O CYS B 11 -3.008 1.338 4.019 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.197 -1.481 4.969 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.324 -3.013 4.551 1.00 0.00 S ATOM 0 H CYS B 11 -1.344 -0.416 2.683 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.853 -1.781 3.628 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.481 -0.698 5.216 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.819 -1.634 5.851 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.949 0.369 4.359 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.603 1.678 4.635 1.00 0.00 C ATOM 1203 C CYS B 12 -5.141 2.212 5.992 1.00 0.00 C ATOM 1204 O CYS B 12 -4.986 1.470 6.942 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.123 1.499 4.651 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.690 1.004 3.005 1.00 0.00 S ATOM 0 H CYS B 12 -5.562 -0.444 4.415 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.327 2.387 3.854 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.403 0.744 5.386 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.606 2.429 4.949 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.932 3.501 6.089 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.490 4.109 7.382 1.00 0.00 C ATOM 1213 C PHE B 13 -5.692 4.803 8.029 1.00 0.00 C ATOM 1214 O PHE B 13 -5.710 5.075 9.213 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.390 5.141 7.107 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.975 6.304 6.343 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.231 6.179 4.966 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.273 7.506 7.012 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.785 7.259 4.254 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.829 8.585 6.302 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.086 8.463 4.923 1.00 0.00 C ATOM 0 H PHE B 13 -5.049 4.163 5.322 1.00 0.00 H new ATOM 0 HA PHE B 13 -4.101 3.338 8.047 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.959 5.488 8.046 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.582 4.685 6.535 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -4.003 5.255 4.455 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.075 7.600 8.070 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -4.979 7.166 3.196 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.059 9.507 6.815 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.514 9.291 4.378 1.00 0.00 H new ATOM 1231 N SER B 14 -6.698 5.085 7.245 1.00 0.00 N ATOM 1232 CA SER B 14 -7.914 5.759 7.781 1.00 0.00 C ATOM 1233 C SER B 14 -9.098 5.437 6.867 1.00 0.00 C ATOM 1234 O SER B 14 -9.149 4.388 6.256 1.00 0.00 O ATOM 1235 CB SER B 14 -7.689 7.271 7.818 1.00 0.00 C ATOM 1236 OG SER B 14 -7.468 7.744 6.496 1.00 0.00 O ATOM 0 H SER B 14 -6.729 4.875 6.247 1.00 0.00 H new ATOM 0 HA SER B 14 -8.119 5.406 8.792 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.555 7.769 8.255 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.833 7.508 8.449 1.00 0.00 H new ATOM 0 HG SER B 14 -6.528 7.611 6.254 1.00 0.00 H new ATOM 1242 N TYR B 15 -10.053 6.323 6.764 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.229 6.049 5.883 1.00 0.00 C ATOM 1244 C TYR B 15 -11.858 7.364 5.432 1.00 0.00 C ATOM 1245 O TYR B 15 -11.567 8.420 5.958 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.270 5.232 6.657 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.584 4.135 7.434 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -11.252 2.923 6.800 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -11.277 4.325 8.796 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.612 1.901 7.527 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.637 3.302 9.522 1.00 0.00 C ATOM 1252 CZ TYR B 15 -10.304 2.091 8.888 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.676 1.089 9.600 1.00 0.00 O ATOM 0 H TYR B 15 -10.071 7.220 7.248 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.896 5.489 5.009 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.823 5.881 7.337 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.995 4.802 5.966 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.488 2.777 5.756 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.532 5.255 9.283 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -10.357 0.971 7.041 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -10.402 3.447 10.566 1.00 0.00 H new ATOM 0 HH TYR B 15 -9.536 1.383 10.524 1.00 0.00 H new ATOM 1263 N THR B 16 -12.727 7.304 4.461 1.00 0.00 N ATOM 1264 CA THR B 16 -13.382 8.551 3.978 1.00 0.00 C ATOM 1265 C THR B 16 -14.180 9.177 5.126 1.00 0.00 C ATOM 1266 O THR B 16 -13.929 8.906 6.283 1.00 0.00 O ATOM 1267 CB THR B 16 -14.302 8.225 2.793 1.00 0.00 C ATOM 1268 OG1 THR B 16 -14.970 9.404 2.368 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.331 7.169 3.199 1.00 0.00 C ATOM 0 H THR B 16 -13.011 6.449 3.983 1.00 0.00 H new ATOM 0 HA THR B 16 -12.627 9.262 3.643 1.00 0.00 H new ATOM 0 HB THR B 16 -13.698 7.834 1.974 1.00 0.00 H new ATOM 0 HG1 THR B 16 -15.555 9.193 1.611 1.00 0.00 H new ATOM 0 HG21 THR B 16 -15.978 6.946 2.350 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.816 6.260 3.511 1.00 0.00 H new ATOM 0 HG23 THR B 16 -15.934 7.547 4.025 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.136 10.011 4.820 1.00 0.00 N ATOM 1278 CA ALA B 17 -15.949 10.657 5.894 1.00 0.00 C ATOM 1279 C ALA B 17 -17.392 10.786 5.411 1.00 0.00 C ATOM 1280 O ALA B 17 -18.209 11.445 6.023 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.385 12.049 6.186 1.00 0.00 C ATOM 0 H ALA B 17 -15.391 10.275 3.868 1.00 0.00 H new ATOM 0 HA ALA B 17 -15.915 10.053 6.801 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -15.976 12.524 6.969 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.350 11.960 6.515 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.427 12.656 5.281 1.00 0.00 H new ATOM 1287 N ARG B 18 -17.708 10.155 4.313 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.096 10.223 3.769 1.00 0.00 C ATOM 1289 C ARG B 18 -19.467 8.869 3.167 1.00 0.00 C ATOM 1290 O ARG B 18 -18.751 8.325 2.349 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.159 11.300 2.685 1.00 0.00 C ATOM 1292 CG ARG B 18 -18.592 12.611 3.234 1.00 0.00 C ATOM 1293 CD ARG B 18 -19.017 13.772 2.335 1.00 0.00 C ATOM 1294 NE ARG B 18 -18.647 13.469 0.924 1.00 0.00 N ATOM 1295 CZ ARG B 18 -19.171 14.160 -0.051 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -20.021 15.115 0.210 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -18.847 13.895 -1.287 1.00 0.00 N ATOM 0 H ARG B 18 -17.059 9.590 3.765 1.00 0.00 H new ATOM 0 HA ARG B 18 -19.795 10.469 4.568 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.591 10.984 1.810 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.190 11.445 2.361 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -18.949 12.776 4.250 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -17.505 12.556 3.283 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -20.092 13.932 2.414 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -18.533 14.693 2.659 1.00 0.00 H new ATOM 0 HE ARG B 18 -17.984 12.721 0.720 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -20.276 15.321 1.176 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -20.431 15.655 -0.552 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -18.184 13.147 -1.491 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -19.257 14.435 -2.049 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.579 8.316 3.564 1.00 0.00 N ATOM 1312 CA LYS B 19 -20.990 6.996 3.011 1.00 0.00 C ATOM 1313 C LYS B 19 -21.232 7.137 1.504 1.00 0.00 C ATOM 1314 O LYS B 19 -21.945 8.013 1.058 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.270 6.530 3.718 1.00 0.00 C ATOM 1316 CG LYS B 19 -22.901 5.353 2.955 1.00 0.00 C ATOM 1317 CD LYS B 19 -23.849 4.567 3.873 1.00 0.00 C ATOM 1318 CE LYS B 19 -25.195 5.279 3.987 1.00 0.00 C ATOM 1319 NZ LYS B 19 -25.020 6.575 4.702 1.00 0.00 N ATOM 0 H LYS B 19 -21.220 8.720 4.247 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.206 6.257 3.176 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.040 6.229 4.740 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -22.980 7.355 3.781 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.448 5.724 2.089 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.119 4.694 2.579 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -23.995 3.561 3.479 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -23.402 4.461 4.862 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -25.610 5.454 2.994 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -25.906 4.650 4.523 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -25.867 6.774 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -24.189 6.518 5.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -24.881 7.338 4.009 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.628 6.285 0.719 1.00 0.00 N ATOM 1334 CA LEU B 20 -20.804 6.373 -0.757 1.00 0.00 C ATOM 1335 C LEU B 20 -22.208 5.861 -1.156 1.00 0.00 C ATOM 1336 O LEU B 20 -22.502 4.707 -0.916 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.764 5.479 -1.438 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.401 5.652 -0.771 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.362 4.848 -1.550 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.003 7.131 -0.776 1.00 0.00 C ATOM 0 H LEU B 20 -20.020 5.531 1.038 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.686 7.412 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.076 4.436 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.694 5.731 -2.496 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.453 5.299 0.259 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.385 4.965 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.641 3.794 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.317 5.210 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.030 7.248 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -17.948 7.490 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -18.747 7.710 -0.229 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.039 6.685 -1.777 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.369 6.216 -2.204 1.00 0.00 C ATOM 1354 C PRO B 21 -24.207 4.999 -3.118 1.00 0.00 C ATOM 1355 O PRO B 21 -23.254 4.904 -3.863 1.00 0.00 O ATOM 1356 CB PRO B 21 -24.985 7.406 -2.975 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.045 8.626 -2.766 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.756 8.104 -2.098 1.00 0.00 C ATOM 0 HA PRO B 21 -25.001 5.913 -1.369 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.079 7.170 -4.035 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -25.987 7.625 -2.607 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -23.817 9.103 -3.719 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.525 9.378 -2.140 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -21.900 8.194 -2.767 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.519 8.673 -1.199 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.129 4.079 -3.086 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.011 2.896 -3.982 1.00 0.00 C ATOM 1368 C ARG B 22 -24.745 3.389 -5.407 1.00 0.00 C ATOM 1369 O ARG B 22 -24.070 2.747 -6.187 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.314 2.093 -3.949 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.082 0.709 -4.575 1.00 0.00 C ATOM 1372 CD ARG B 22 -27.348 -0.175 -4.433 1.00 0.00 C ATOM 1373 NE ARG B 22 -27.697 -0.805 -5.753 1.00 0.00 N ATOM 1374 CZ ARG B 22 -27.887 -0.086 -6.829 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -27.866 1.217 -6.765 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -28.127 -0.676 -7.968 1.00 0.00 N ATOM 0 H ARG B 22 -25.952 4.094 -2.484 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.193 2.256 -3.650 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.661 1.985 -2.921 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.094 2.624 -4.494 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -25.825 0.819 -5.629 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -25.236 0.222 -4.090 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -27.176 -0.951 -3.687 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -28.183 0.429 -4.079 1.00 0.00 H new ATOM 0 HE ARG B 22 -27.788 -1.819 -5.811 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -27.701 1.681 -5.872 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -28.015 1.771 -7.608 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -28.166 -1.694 -8.017 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -28.276 -0.119 -8.809 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.274 4.537 -5.743 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.060 5.096 -7.109 1.00 0.00 C ATOM 1392 C ASN B 23 -23.620 5.605 -7.237 1.00 0.00 C ATOM 1393 O ASN B 23 -23.298 6.341 -8.148 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.050 6.256 -7.343 1.00 0.00 C ATOM 1395 CG ASN B 23 -27.357 5.712 -7.924 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -28.429 6.008 -7.434 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -27.306 4.921 -8.960 1.00 0.00 N ATOM 0 H ASN B 23 -25.847 5.113 -5.127 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.229 4.319 -7.855 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -26.246 6.774 -6.404 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -25.614 6.986 -8.025 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -28.167 4.549 -9.361 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -26.405 4.674 -9.369 1.00 0.00 H new ATOM 1404 N PHE B 24 -22.755 5.226 -6.333 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.335 5.701 -6.403 1.00 0.00 C ATOM 1406 C PHE B 24 -20.401 4.546 -6.030 1.00 0.00 C ATOM 1407 O PHE B 24 -19.313 4.748 -5.529 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.154 6.862 -5.410 1.00 0.00 C ATOM 1409 CG PHE B 24 -19.971 7.719 -5.805 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -19.979 8.398 -7.040 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -18.868 7.848 -4.938 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -18.886 9.204 -7.407 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -17.774 8.655 -5.307 1.00 0.00 C ATOM 1414 CZ PHE B 24 -17.783 9.332 -6.541 1.00 0.00 C ATOM 0 H PHE B 24 -22.967 4.609 -5.549 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.098 6.042 -7.411 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.058 7.470 -5.384 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.006 6.468 -4.404 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -20.824 8.300 -7.705 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -18.861 7.329 -3.991 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -18.893 9.725 -8.353 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -16.928 8.754 -4.643 1.00 0.00 H new ATOM 0 HZ PHE B 24 -16.944 9.950 -6.824 1.00 0.00 H new ATOM 1424 N VAL B 25 -20.822 3.333 -6.278 1.00 0.00 N ATOM 1425 CA VAL B 25 -19.971 2.150 -5.948 1.00 0.00 C ATOM 1426 C VAL B 25 -20.268 1.036 -6.952 1.00 0.00 C ATOM 1427 O VAL B 25 -21.147 0.221 -6.748 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.296 1.662 -4.533 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.352 0.519 -4.152 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.117 2.812 -3.540 1.00 0.00 C ATOM 0 H VAL B 25 -21.724 3.109 -6.698 1.00 0.00 H new ATOM 0 HA VAL B 25 -18.918 2.426 -5.998 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.327 1.309 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.586 0.174 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.475 -0.305 -4.855 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.321 0.872 -4.184 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.349 2.463 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.086 3.165 -3.574 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -20.789 3.629 -3.804 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.548 0.997 -8.040 1.00 0.00 N ATOM 1441 CA VAL B 26 -19.790 -0.056 -9.062 1.00 0.00 C ATOM 1442 C VAL B 26 -19.032 -1.326 -8.684 1.00 0.00 C ATOM 1443 O VAL B 26 -19.249 -2.380 -9.248 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.301 0.443 -10.422 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.216 1.565 -10.911 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -17.872 0.974 -10.285 1.00 0.00 C ATOM 0 H VAL B 26 -18.800 1.653 -8.264 1.00 0.00 H new ATOM 0 HA VAL B 26 -20.856 -0.276 -9.111 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.317 -0.378 -11.139 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -19.868 1.922 -11.881 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.234 1.188 -11.007 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.199 2.387 -10.195 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -17.522 1.330 -11.254 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -17.856 1.796 -9.569 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.219 0.175 -9.935 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.145 -1.239 -7.735 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.380 -2.449 -7.331 1.00 0.00 C ATOM 1458 C ASP B 27 -16.598 -2.147 -6.059 1.00 0.00 C ATOM 1459 O ASP B 27 -16.749 -1.101 -5.461 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.407 -2.834 -8.449 1.00 0.00 C ATOM 1461 CG ASP B 27 -15.875 -4.247 -8.200 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.653 -5.085 -7.774 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -14.699 -4.466 -8.439 1.00 0.00 O ATOM 0 H ASP B 27 -17.917 -0.387 -7.223 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.069 -3.274 -7.150 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -16.910 -2.789 -9.415 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.581 -2.124 -8.486 1.00 0.00 H new ATOM 1468 N TYR B 28 -15.760 -3.052 -5.639 1.00 0.00 N ATOM 1469 CA TYR B 28 -14.970 -2.804 -4.405 1.00 0.00 C ATOM 1470 C TYR B 28 -13.703 -3.653 -4.418 1.00 0.00 C ATOM 1471 O TYR B 28 -13.392 -4.328 -5.378 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.810 -3.128 -3.163 1.00 0.00 C ATOM 1473 CG TYR B 28 -15.954 -4.628 -2.983 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.609 -5.401 -3.962 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.444 -5.250 -1.826 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.751 -6.789 -3.786 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.586 -6.637 -1.648 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.241 -7.409 -2.629 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.382 -8.771 -2.455 1.00 0.00 O ATOM 0 H TYR B 28 -15.589 -3.948 -6.095 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.690 -1.751 -4.372 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.342 -2.695 -2.279 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.796 -2.673 -3.257 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.003 -4.927 -4.849 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.943 -4.659 -1.074 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.252 -7.380 -4.539 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.194 -7.111 -0.760 1.00 0.00 H new ATOM 0 HH TYR B 28 -17.319 -9.023 -2.594 1.00 0.00 H new ATOM 1489 N TYR B 29 -12.969 -3.601 -3.352 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.706 -4.371 -3.261 1.00 0.00 C ATOM 1491 C TYR B 29 -11.318 -4.470 -1.782 1.00 0.00 C ATOM 1492 O TYR B 29 -11.536 -3.552 -1.023 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.632 -3.620 -4.068 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.245 -4.044 -3.642 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.836 -5.376 -3.825 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.366 -3.108 -3.062 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.545 -5.776 -3.428 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.076 -3.506 -2.665 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.665 -4.841 -2.848 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.401 -5.233 -2.458 1.00 0.00 O ATOM 0 H TYR B 29 -13.194 -3.048 -2.525 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.811 -5.377 -3.666 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -10.766 -3.817 -5.132 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.749 -2.546 -3.925 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.511 -6.092 -4.270 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.682 -2.085 -2.922 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.230 -6.799 -3.568 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.402 -2.789 -2.221 1.00 0.00 H new ATOM 0 HH TYR B 29 -4.923 -4.466 -2.078 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.747 -5.568 -1.360 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.350 -5.704 0.079 1.00 0.00 C ATOM 1512 C GLU B 30 -8.847 -5.435 0.213 1.00 0.00 C ATOM 1513 O GLU B 30 -8.095 -5.570 -0.732 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.666 -7.120 0.565 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.168 -7.250 0.831 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.510 -8.712 1.127 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -12.190 -9.552 0.301 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.084 -8.966 2.172 1.00 0.00 O ATOM 0 H GLU B 30 -10.537 -6.376 -1.946 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.905 -4.986 0.683 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.355 -7.850 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.106 -7.336 1.474 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.455 -6.621 1.674 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.733 -6.901 -0.034 1.00 0.00 H new ATOM 1525 N THR B 31 -8.410 -5.047 1.379 1.00 0.00 N ATOM 1526 CA THR B 31 -6.959 -4.755 1.580 1.00 0.00 C ATOM 1527 C THR B 31 -6.155 -6.055 1.605 1.00 0.00 C ATOM 1528 O THR B 31 -6.649 -7.115 1.276 1.00 0.00 O ATOM 1529 CB THR B 31 -6.776 -4.032 2.913 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.494 -4.730 3.915 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.300 -2.600 2.791 1.00 0.00 C ATOM 0 H THR B 31 -8.995 -4.919 2.205 1.00 0.00 H new ATOM 0 HA THR B 31 -6.605 -4.132 0.759 1.00 0.00 H new ATOM 0 HB THR B 31 -5.720 -3.999 3.180 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.487 -5.689 3.714 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.170 -2.083 3.742 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.746 -2.075 2.013 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.358 -2.621 2.531 1.00 0.00 H new ATOM 1539 N SER B 32 -4.914 -5.972 2.001 1.00 0.00 N ATOM 1540 CA SER B 32 -4.059 -7.188 2.061 1.00 0.00 C ATOM 1541 C SER B 32 -4.296 -7.912 3.385 1.00 0.00 C ATOM 1542 O SER B 32 -5.388 -7.921 3.917 1.00 0.00 O ATOM 1543 CB SER B 32 -2.589 -6.777 1.967 1.00 0.00 C ATOM 1544 OG SER B 32 -1.787 -7.937 1.793 1.00 0.00 O ATOM 0 H SER B 32 -4.454 -5.108 2.287 1.00 0.00 H new ATOM 0 HA SER B 32 -4.310 -7.851 1.233 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.444 -6.092 1.132 1.00 0.00 H new ATOM 0 HB3 SER B 32 -2.289 -6.246 2.871 1.00 0.00 H new ATOM 0 HG SER B 32 -0.870 -7.671 1.572 1.00 0.00 H new ATOM 1550 N SER B 33 -3.274 -8.520 3.917 1.00 0.00 N ATOM 1551 CA SER B 33 -3.409 -9.255 5.212 1.00 0.00 C ATOM 1552 C SER B 33 -2.158 -9.010 6.047 1.00 0.00 C ATOM 1553 O SER B 33 -2.211 -8.903 7.256 1.00 0.00 O ATOM 1554 CB SER B 33 -3.531 -10.748 4.926 1.00 0.00 C ATOM 1555 OG SER B 33 -2.235 -11.289 4.705 1.00 0.00 O ATOM 0 H SER B 33 -2.340 -8.541 3.508 1.00 0.00 H new ATOM 0 HA SER B 33 -4.292 -8.908 5.749 1.00 0.00 H new ATOM 0 HB2 SER B 33 -4.011 -11.253 5.764 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.161 -10.913 4.052 1.00 0.00 H new ATOM 0 HG SER B 33 -2.308 -12.249 4.522 1.00 0.00 H new ATOM 1561 N LEU B 34 -1.032 -8.930 5.393 1.00 0.00 N ATOM 1562 CA LEU B 34 0.261 -8.696 6.102 1.00 0.00 C ATOM 1563 C LEU B 34 0.074 -7.688 7.236 1.00 0.00 C ATOM 1564 O LEU B 34 0.365 -7.963 8.383 1.00 0.00 O ATOM 1565 CB LEU B 34 1.289 -8.141 5.112 1.00 0.00 C ATOM 1566 CG LEU B 34 1.201 -8.893 3.783 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.353 -8.454 2.874 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.292 -10.402 4.038 1.00 0.00 C ATOM 0 H LEU B 34 -0.951 -9.018 4.380 1.00 0.00 H new ATOM 0 HA LEU B 34 0.608 -9.642 6.517 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.111 -7.078 4.949 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.293 -8.236 5.527 1.00 0.00 H new ATOM 0 HG LEU B 34 0.250 -8.668 3.300 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.293 -8.989 1.926 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.284 -7.382 2.691 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.304 -8.679 3.357 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.229 -10.936 3.090 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.241 -10.633 4.522 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.471 -10.712 4.684 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.408 -6.520 6.921 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.609 -5.494 7.977 1.00 0.00 C ATOM 1582 C CYS B 35 -1.773 -5.920 8.879 1.00 0.00 C ATOM 1583 O CYS B 35 -2.835 -6.274 8.415 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.908 -4.137 7.329 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.993 -4.362 5.898 1.00 0.00 S ATOM 0 H CYS B 35 -0.671 -6.232 5.978 1.00 0.00 H new ATOM 0 HA CYS B 35 0.295 -5.402 8.579 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.381 -3.475 8.054 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.022 -3.659 7.020 1.00 0.00 H new ATOM 1590 N SER B 36 -1.565 -5.915 10.167 1.00 0.00 N ATOM 1591 CA SER B 36 -2.640 -6.336 11.115 1.00 0.00 C ATOM 1592 C SER B 36 -3.826 -5.358 11.094 1.00 0.00 C ATOM 1593 O SER B 36 -4.479 -5.166 12.100 1.00 0.00 O ATOM 1594 CB SER B 36 -2.064 -6.394 12.529 1.00 0.00 C ATOM 1595 OG SER B 36 -1.505 -5.131 12.861 1.00 0.00 O ATOM 0 H SER B 36 -0.689 -5.635 10.609 1.00 0.00 H new ATOM 0 HA SER B 36 -3.002 -7.317 10.806 1.00 0.00 H new ATOM 0 HB2 SER B 36 -2.846 -6.657 13.242 1.00 0.00 H new ATOM 0 HB3 SER B 36 -1.301 -7.170 12.592 1.00 0.00 H new ATOM 0 HG SER B 36 -1.136 -5.165 13.768 1.00 0.00 H new ATOM 1601 N GLN B 37 -4.127 -4.733 9.981 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.284 -3.780 9.970 1.00 0.00 C ATOM 1603 C GLN B 37 -5.881 -3.657 8.560 1.00 0.00 C ATOM 1604 O GLN B 37 -5.802 -2.605 7.960 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.805 -2.403 10.439 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.497 -2.043 9.729 1.00 0.00 C ATOM 1607 CD GLN B 37 -3.193 -0.559 9.942 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -4.007 0.290 9.634 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -2.048 -0.208 10.457 1.00 0.00 N ATOM 0 H GLN B 37 -3.633 -4.837 9.095 1.00 0.00 H new ATOM 0 HA GLN B 37 -6.055 -4.161 10.640 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.565 -1.651 10.226 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.655 -2.408 11.519 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.680 -2.652 10.117 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.577 -2.259 8.664 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -1.365 -0.920 10.715 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -1.835 0.779 10.602 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.484 -4.721 8.073 1.00 0.00 N ATOM 1619 CA PRO B 38 -7.118 -4.710 6.739 1.00 0.00 C ATOM 1620 C PRO B 38 -8.381 -3.836 6.782 1.00 0.00 C ATOM 1621 O PRO B 38 -8.754 -3.308 7.811 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.475 -6.189 6.463 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.233 -6.980 7.783 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.579 -6.009 8.793 1.00 0.00 C ATOM 0 HA PRO B 38 -6.473 -4.302 5.961 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.514 -6.280 6.146 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.859 -6.589 5.657 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.173 -7.366 8.176 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.586 -7.839 7.602 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -7.181 -5.913 9.696 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.595 -6.363 9.102 1.00 0.00 H new ATOM 1632 N ALA B 39 -9.037 -3.694 5.669 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.274 -2.877 5.608 1.00 0.00 C ATOM 1634 C ALA B 39 -10.935 -3.133 4.259 1.00 0.00 C ATOM 1635 O ALA B 39 -10.359 -3.766 3.396 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.921 -1.393 5.731 1.00 0.00 C ATOM 0 H ALA B 39 -8.762 -4.118 4.783 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.947 -3.145 6.423 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.833 -0.797 5.686 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.419 -1.216 6.682 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.260 -1.107 4.913 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.121 -2.631 4.046 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.787 -2.834 2.726 1.00 0.00 C ATOM 1644 C VAL B 40 -12.535 -1.583 1.892 1.00 0.00 C ATOM 1645 O VAL B 40 -12.486 -0.483 2.406 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.294 -3.047 2.919 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -15.022 -2.856 1.583 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.538 -4.471 3.417 1.00 0.00 C ATOM 0 H VAL B 40 -12.657 -2.091 4.726 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.387 -3.716 2.226 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.670 -2.325 3.644 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.092 -3.009 1.726 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.846 -1.846 1.214 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.647 -3.578 0.858 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.607 -4.629 3.556 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -14.158 -5.183 2.684 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -14.023 -4.618 4.366 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.354 -1.752 0.612 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.076 -0.588 -0.286 1.00 0.00 C ATOM 1660 C VAL B 41 -13.164 -0.502 -1.362 1.00 0.00 C ATOM 1661 O VAL B 41 -13.342 -1.406 -2.145 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.704 -0.800 -0.931 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.150 0.528 -1.432 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.745 -1.378 0.113 1.00 0.00 C ATOM 0 H VAL B 41 -12.387 -2.656 0.141 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.077 0.343 0.280 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.806 -1.486 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.174 0.366 -1.889 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -10.831 0.951 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.049 1.219 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.765 -1.532 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.654 -0.683 0.948 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.132 -2.331 0.474 1.00 0.00 H new ATOM 1674 N PHE B 42 -13.907 0.574 -1.401 1.00 0.00 N ATOM 1675 CA PHE B 42 -14.994 0.695 -2.423 1.00 0.00 C ATOM 1676 C PHE B 42 -14.475 1.379 -3.690 1.00 0.00 C ATOM 1677 O PHE B 42 -13.757 2.358 -3.637 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.145 1.529 -1.848 1.00 0.00 C ATOM 1679 CG PHE B 42 -16.927 0.711 -0.846 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.638 -0.429 -1.269 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -16.953 1.093 0.510 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.372 -1.188 -0.337 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.688 0.335 1.440 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.397 -0.806 1.017 1.00 0.00 C ATOM 0 H PHE B 42 -13.810 1.372 -0.773 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.340 -0.307 -2.676 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -15.751 2.426 -1.369 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -16.802 1.859 -2.652 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.620 -0.721 -2.309 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.409 1.967 0.835 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -18.916 -2.063 -0.661 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.708 0.628 2.479 1.00 0.00 H new ATOM 0 HZ PHE B 42 -18.960 -1.388 1.732 1.00 0.00 H new ATOM 1694 N GLN B 43 -14.871 0.880 -4.833 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.453 1.497 -6.128 1.00 0.00 C ATOM 1696 C GLN B 43 -15.629 2.345 -6.626 1.00 0.00 C ATOM 1697 O GLN B 43 -16.728 1.842 -6.784 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.134 0.383 -7.128 1.00 0.00 C ATOM 1699 CG GLN B 43 -12.921 -0.411 -6.637 1.00 0.00 C ATOM 1700 CD GLN B 43 -12.817 -1.720 -7.421 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -12.460 -2.744 -6.873 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -13.114 -1.730 -8.692 1.00 0.00 N ATOM 0 H GLN B 43 -15.473 0.062 -4.925 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.566 2.119 -6.010 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -14.994 -0.278 -7.239 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -13.930 0.809 -8.110 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.012 0.176 -6.767 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.017 -0.620 -5.571 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -13.414 -0.871 -9.152 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -13.046 -2.597 -9.225 1.00 0.00 H new ATOM 1711 N THR B 44 -15.436 3.635 -6.826 1.00 0.00 N ATOM 1712 CA THR B 44 -16.598 4.501 -7.252 1.00 0.00 C ATOM 1713 C THR B 44 -16.608 4.757 -8.758 1.00 0.00 C ATOM 1714 O THR B 44 -16.056 4.012 -9.544 1.00 0.00 O ATOM 1715 CB THR B 44 -16.517 5.852 -6.543 1.00 0.00 C ATOM 1716 OG1 THR B 44 -15.624 6.695 -7.254 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.000 5.650 -5.120 1.00 0.00 C ATOM 0 H THR B 44 -14.545 4.119 -6.716 1.00 0.00 H new ATOM 0 HA THR B 44 -17.509 3.966 -6.984 1.00 0.00 H new ATOM 0 HB THR B 44 -17.506 6.309 -6.507 1.00 0.00 H new ATOM 0 HG1 THR B 44 -14.757 6.712 -6.798 1.00 0.00 H new ATOM 0 HG21 THR B 44 -15.942 6.614 -4.614 1.00 0.00 H new ATOM 0 HG22 THR B 44 -16.680 4.994 -4.576 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.009 5.198 -5.154 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.262 5.826 -9.151 1.00 0.00 N ATOM 1726 CA LYS B 45 -17.369 6.193 -10.596 1.00 0.00 C ATOM 1727 C LYS B 45 -16.547 7.459 -10.872 1.00 0.00 C ATOM 1728 O LYS B 45 -16.137 7.708 -11.989 1.00 0.00 O ATOM 1729 CB LYS B 45 -18.839 6.472 -10.931 1.00 0.00 C ATOM 1730 CG LYS B 45 -19.727 5.379 -10.334 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.189 5.668 -10.685 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.045 4.433 -10.393 1.00 0.00 C ATOM 1733 NZ LYS B 45 -23.482 4.825 -10.356 1.00 0.00 N ATOM 0 H LYS B 45 -17.734 6.470 -8.517 1.00 0.00 H new ATOM 0 HA LYS B 45 -16.991 5.374 -11.208 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.132 7.445 -10.538 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -18.973 6.511 -12.012 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -19.434 4.404 -10.722 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -19.601 5.343 -9.252 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -21.551 6.518 -10.106 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.273 5.940 -11.737 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -21.883 3.675 -11.159 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -21.752 3.991 -9.441 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -24.053 4.021 -10.026 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -23.606 5.628 -9.707 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -23.791 5.100 -11.310 1.00 0.00 H new ATOM 1747 N ARG B 46 -16.300 8.262 -9.860 1.00 0.00 N ATOM 1748 CA ARG B 46 -15.499 9.518 -10.051 1.00 0.00 C ATOM 1749 C ARG B 46 -14.436 9.579 -8.958 1.00 0.00 C ATOM 1750 O ARG B 46 -14.323 10.530 -8.216 1.00 0.00 O ATOM 1751 CB ARG B 46 -16.429 10.748 -9.973 1.00 0.00 C ATOM 1752 CG ARG B 46 -15.662 12.086 -10.119 1.00 0.00 C ATOM 1753 CD ARG B 46 -14.571 12.008 -11.197 1.00 0.00 C ATOM 1754 NE ARG B 46 -13.394 11.251 -10.690 1.00 0.00 N ATOM 1755 CZ ARG B 46 -12.511 10.782 -11.529 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -12.662 10.974 -12.810 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -11.476 10.121 -11.086 1.00 0.00 N ATOM 0 H ARG B 46 -16.621 8.100 -8.905 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.019 9.518 -11.029 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -17.183 10.679 -10.757 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -16.958 10.739 -9.020 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.364 12.881 -10.370 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -15.209 12.351 -9.163 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -14.967 11.523 -12.089 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.267 13.013 -11.489 1.00 0.00 H new ATOM 0 HE ARG B 46 -13.278 11.099 -9.688 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -13.470 11.491 -13.156 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -11.972 10.607 -13.465 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -11.357 9.971 -10.084 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -10.786 9.755 -11.742 1.00 0.00 H new ATOM 1771 N SER B 47 -13.643 8.562 -8.872 1.00 0.00 N ATOM 1772 CA SER B 47 -12.568 8.539 -7.867 1.00 0.00 C ATOM 1773 C SER B 47 -11.646 7.381 -8.211 1.00 0.00 C ATOM 1774 O SER B 47 -11.109 7.299 -9.297 1.00 0.00 O ATOM 1775 CB SER B 47 -13.156 8.371 -6.459 1.00 0.00 C ATOM 1776 OG SER B 47 -13.575 7.028 -6.269 1.00 0.00 O ATOM 0 H SER B 47 -13.696 7.734 -9.465 1.00 0.00 H new ATOM 0 HA SER B 47 -12.013 9.477 -7.876 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.411 8.638 -5.710 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.000 9.047 -6.325 1.00 0.00 H new ATOM 0 HG SER B 47 -13.492 6.790 -5.322 1.00 0.00 H new ATOM 1782 N LYS B 48 -11.473 6.483 -7.309 1.00 0.00 N ATOM 1783 CA LYS B 48 -10.611 5.319 -7.564 1.00 0.00 C ATOM 1784 C LYS B 48 -10.986 4.261 -6.539 1.00 0.00 C ATOM 1785 O LYS B 48 -11.892 3.476 -6.740 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.146 5.744 -7.406 1.00 0.00 C ATOM 1787 CG LYS B 48 -8.202 4.558 -7.672 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.949 4.415 -9.177 1.00 0.00 C ATOM 1789 CE LYS B 48 -6.954 3.279 -9.420 1.00 0.00 C ATOM 1790 NZ LYS B 48 -6.942 2.931 -10.870 1.00 0.00 N ATOM 0 H LYS B 48 -11.901 6.505 -6.384 1.00 0.00 H new ATOM 0 HA LYS B 48 -10.741 4.924 -8.572 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -8.921 6.556 -8.098 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.980 6.128 -6.399 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -7.258 4.710 -7.149 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -8.639 3.640 -7.280 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -8.885 4.210 -9.696 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -7.558 5.349 -9.581 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -5.957 3.580 -9.099 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -7.230 2.406 -8.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -6.266 2.159 -11.036 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -7.893 2.627 -11.162 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -6.659 3.764 -11.425 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.304 4.268 -5.427 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.585 3.301 -4.336 1.00 0.00 C ATOM 1806 C GLN B 49 -10.833 4.103 -3.049 1.00 0.00 C ATOM 1807 O GLN B 49 -10.192 5.114 -2.800 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.353 2.383 -4.182 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.599 1.024 -4.857 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.430 0.085 -4.558 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -7.630 0.353 -3.684 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -8.298 -1.013 -5.250 1.00 0.00 N ATOM 0 H GLN B 49 -9.546 4.921 -5.227 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.460 2.688 -4.551 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -8.479 2.861 -4.625 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.134 2.235 -3.125 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.530 0.589 -4.494 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -9.707 1.155 -5.934 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -8.970 -1.237 -5.984 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -7.523 -1.647 -5.057 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.770 3.676 -2.236 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.074 4.415 -0.966 1.00 0.00 C ATOM 1823 C VAL B 50 -12.007 3.445 0.204 1.00 0.00 C ATOM 1824 O VAL B 50 -12.731 2.477 0.256 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.493 5.023 -1.023 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.605 6.135 0.031 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.798 5.586 -2.437 1.00 0.00 C ATOM 0 H VAL B 50 -12.340 2.845 -2.397 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.344 5.215 -0.842 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.224 4.243 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.604 6.569 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.425 5.717 1.021 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.866 6.909 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.803 6.008 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -13.074 6.363 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.732 4.783 -3.171 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.162 3.712 1.151 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.060 2.809 2.326 1.00 0.00 C ATOM 1839 C CYS B 51 -12.299 3.001 3.195 1.00 0.00 C ATOM 1840 O CYS B 51 -12.821 4.092 3.312 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.807 3.164 3.125 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.336 2.726 2.167 1.00 0.00 S ATOM 0 H CYS B 51 -10.536 4.517 1.164 1.00 0.00 H new ATOM 0 HA CYS B 51 -10.995 1.770 2.002 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.800 4.229 3.356 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.806 2.632 4.076 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.788 1.946 3.794 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.013 2.061 4.644 1.00 0.00 C ATOM 1849 C ALA B 52 -13.856 1.192 5.894 1.00 0.00 C ATOM 1850 O ALA B 52 -13.443 0.050 5.824 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.224 1.575 3.847 1.00 0.00 C ATOM 0 H ALA B 52 -12.392 1.008 3.732 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.153 3.101 4.939 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.121 1.656 4.462 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.340 2.187 2.953 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.076 0.535 3.558 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.184 1.730 7.037 1.00 0.00 N ATOM 1858 CA ASP B 53 -14.060 0.947 8.299 1.00 0.00 C ATOM 1859 C ASP B 53 -15.107 -0.196 8.303 1.00 0.00 C ATOM 1860 O ASP B 53 -16.287 0.090 8.238 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.339 1.876 9.483 1.00 0.00 C ATOM 1862 CG ASP B 53 -15.672 2.594 9.264 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -16.222 2.463 8.183 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -16.118 3.264 10.181 1.00 0.00 O ATOM 0 H ASP B 53 -14.534 2.681 7.151 1.00 0.00 H new ATOM 0 HA ASP B 53 -13.057 0.526 8.374 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -14.370 1.303 10.409 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -13.534 2.604 9.586 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.689 -1.455 8.379 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.660 -2.574 8.387 1.00 0.00 C ATOM 1871 C PRO B 54 -16.584 -2.471 9.613 1.00 0.00 C ATOM 1872 O PRO B 54 -17.508 -3.244 9.770 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.797 -3.855 8.459 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.306 -3.419 8.519 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.268 -1.876 8.457 1.00 0.00 C ATOM 0 HA PRO B 54 -16.304 -2.567 7.507 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -15.059 -4.443 9.338 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.976 -4.486 7.588 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.839 -3.777 9.437 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.747 -3.850 7.688 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.781 -1.458 9.338 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.707 -1.530 7.589 1.00 0.00 H new ATOM 1883 N SER B 55 -16.325 -1.541 10.484 1.00 0.00 N ATOM 1884 CA SER B 55 -17.171 -1.408 11.705 1.00 0.00 C ATOM 1885 C SER B 55 -18.514 -0.764 11.352 1.00 0.00 C ATOM 1886 O SER B 55 -19.481 -0.898 12.073 1.00 0.00 O ATOM 1887 CB SER B 55 -16.446 -0.536 12.730 1.00 0.00 C ATOM 1888 OG SER B 55 -15.319 -1.241 13.233 1.00 0.00 O ATOM 0 H SER B 55 -15.565 -0.865 10.406 1.00 0.00 H new ATOM 0 HA SER B 55 -17.351 -2.399 12.121 1.00 0.00 H new ATOM 0 HB2 SER B 55 -16.128 0.399 12.269 1.00 0.00 H new ATOM 0 HB3 SER B 55 -17.121 -0.276 13.546 1.00 0.00 H new ATOM 0 HG SER B 55 -14.851 -0.684 13.889 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.591 -0.071 10.249 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.883 0.571 9.865 1.00 0.00 C ATOM 1896 C GLU B 56 -20.784 -0.470 9.187 1.00 0.00 C ATOM 1897 O GLU B 56 -20.444 -1.046 8.172 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.611 1.734 8.909 1.00 0.00 C ATOM 1899 CG GLU B 56 -19.165 2.965 9.703 1.00 0.00 C ATOM 1900 CD GLU B 56 -20.363 3.557 10.447 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -21.244 4.083 9.786 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -20.381 3.472 11.664 1.00 0.00 O ATOM 0 H GLU B 56 -17.820 0.079 9.599 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.384 0.953 10.754 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.840 1.454 8.191 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.510 1.965 8.337 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -18.384 2.690 10.412 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.738 3.709 9.031 1.00 0.00 H new ATOM 1909 N SER B 57 -21.922 -0.721 9.765 1.00 0.00 N ATOM 1910 CA SER B 57 -22.866 -1.729 9.204 1.00 0.00 C ATOM 1911 C SER B 57 -23.122 -1.496 7.711 1.00 0.00 C ATOM 1912 O SER B 57 -23.218 -2.434 6.944 1.00 0.00 O ATOM 1913 CB SER B 57 -24.193 -1.646 9.957 1.00 0.00 C ATOM 1914 OG SER B 57 -23.968 -1.913 11.336 1.00 0.00 O ATOM 0 H SER B 57 -22.245 -0.263 10.617 1.00 0.00 H new ATOM 0 HA SER B 57 -22.417 -2.715 9.321 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.633 -0.657 9.833 1.00 0.00 H new ATOM 0 HB3 SER B 57 -24.903 -2.364 9.547 1.00 0.00 H new ATOM 0 HG SER B 57 -24.817 -1.859 11.822 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.262 -0.270 7.285 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.542 -0.033 5.840 1.00 0.00 C ATOM 1922 C TRP B 58 -22.400 -0.591 4.997 1.00 0.00 C ATOM 1923 O TRP B 58 -22.596 -1.018 3.878 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.761 1.460 5.567 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.477 2.222 5.576 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -22.079 3.040 6.575 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.445 2.298 4.548 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.870 3.611 6.232 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.430 3.182 5.000 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.283 1.688 3.281 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.294 3.456 4.224 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.141 1.961 2.497 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.149 2.842 2.970 1.00 0.00 C ATOM 0 H TRP B 58 -23.196 0.567 7.865 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.460 -0.552 5.564 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.250 1.584 4.601 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.433 1.872 6.320 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.619 3.218 7.493 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -20.363 4.272 6.821 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.038 1.009 2.912 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.537 4.134 4.589 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.028 1.492 1.531 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.276 3.045 2.367 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.213 -0.623 5.528 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.080 -1.183 4.748 1.00 0.00 C ATOM 1946 C VAL B 59 -20.319 -2.674 4.558 1.00 0.00 C ATOM 1947 O VAL B 59 -20.207 -3.200 3.469 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.778 -0.956 5.512 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.607 -1.580 4.748 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.560 0.548 5.661 1.00 0.00 C ATOM 0 H VAL B 59 -20.979 -0.288 6.463 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.008 -0.694 3.777 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.838 -1.423 6.495 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.682 -1.413 5.300 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.775 -2.651 4.636 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.529 -1.120 3.763 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.633 0.729 6.205 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.497 1.006 4.674 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.394 0.984 6.210 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.668 -3.358 5.607 1.00 0.00 N ATOM 1961 CA GLN B 60 -20.936 -4.818 5.480 1.00 0.00 C ATOM 1962 C GLN B 60 -22.159 -5.030 4.581 1.00 0.00 C ATOM 1963 O GLN B 60 -22.213 -5.956 3.796 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.208 -5.412 6.863 1.00 0.00 C ATOM 1965 CG GLN B 60 -21.498 -6.908 6.730 1.00 0.00 C ATOM 1966 CD GLN B 60 -21.568 -7.542 8.120 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -22.460 -8.314 8.404 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -20.655 -7.244 9.006 1.00 0.00 N ATOM 0 H GLN B 60 -20.780 -2.973 6.545 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.069 -5.312 5.041 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -20.348 -5.254 7.513 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -22.055 -4.907 7.327 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -22.439 -7.061 6.202 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -20.719 -7.389 6.139 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -19.905 -6.595 8.767 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -20.692 -7.660 9.936 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.140 -4.177 4.695 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.366 -4.321 3.855 1.00 0.00 C ATOM 1979 C GLU B 61 -24.020 -4.108 2.379 1.00 0.00 C ATOM 1980 O GLU B 61 -24.398 -4.885 1.526 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.403 -3.282 4.289 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.757 -3.620 3.661 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.360 -4.833 4.371 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -27.492 -4.780 5.583 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -27.681 -5.794 3.691 1.00 0.00 O ATOM 0 H GLU B 61 -23.146 -3.383 5.336 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.772 -5.324 3.985 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.487 -3.268 5.376 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.086 -2.286 3.981 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -27.430 -2.767 3.741 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -26.635 -3.831 2.599 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.309 -3.060 2.072 1.00 0.00 N ATOM 1993 CA TYR B 62 -22.946 -2.793 0.650 1.00 0.00 C ATOM 1994 C TYR B 62 -22.092 -3.948 0.115 1.00 0.00 C ATOM 1995 O TYR B 62 -22.196 -4.325 -1.035 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.155 -1.475 0.553 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.100 -0.284 0.523 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.129 -0.155 1.480 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -22.940 0.707 -0.469 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -24.993 0.958 1.441 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.805 1.818 -0.506 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.830 1.942 0.450 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.677 3.032 0.414 1.00 0.00 O ATOM 0 H TYR B 62 -22.962 -2.375 2.744 1.00 0.00 H new ATOM 0 HA TYR B 62 -23.855 -2.709 0.055 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.478 -1.388 1.403 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.539 -1.480 -0.346 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.255 -0.909 2.243 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.152 0.613 -1.202 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.781 1.055 2.173 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.682 2.574 -1.267 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.426 3.616 -0.332 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.257 -4.518 0.938 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.416 -5.650 0.470 1.00 0.00 C ATOM 2015 C VAL B 63 -21.332 -6.822 0.148 1.00 0.00 C ATOM 2016 O VAL B 63 -21.149 -7.524 -0.825 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.432 -6.043 1.574 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.738 -7.360 1.211 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.380 -4.941 1.732 1.00 0.00 C ATOM 0 H VAL B 63 -21.122 -4.248 1.912 1.00 0.00 H new ATOM 0 HA VAL B 63 -19.851 -5.365 -0.418 1.00 0.00 H new ATOM 0 HB VAL B 63 -19.976 -6.171 2.510 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.039 -7.633 2.002 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.485 -8.146 1.099 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.196 -7.239 0.273 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.678 -5.218 2.518 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -17.842 -4.814 0.793 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -18.871 -4.005 1.998 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.321 -7.031 0.965 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.260 -8.150 0.722 1.00 0.00 C ATOM 2031 C TYR B 64 -23.993 -7.911 -0.596 1.00 0.00 C ATOM 2032 O TYR B 64 -24.165 -8.804 -1.400 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.274 -8.217 1.869 1.00 0.00 C ATOM 2034 CG TYR B 64 -24.941 -9.574 1.885 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.242 -10.696 2.369 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.262 -9.717 1.416 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -24.862 -11.960 2.385 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -26.882 -10.980 1.431 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.182 -12.102 1.915 1.00 0.00 C ATOM 2040 OH TYR B 64 -26.790 -13.341 1.930 1.00 0.00 O ATOM 0 H TYR B 64 -22.519 -6.471 1.794 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.711 -9.090 0.669 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.773 -8.037 2.820 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.024 -7.435 1.750 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.229 -10.587 2.728 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -26.799 -8.857 1.045 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.326 -12.820 2.757 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -27.895 -11.089 1.071 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.699 -13.264 1.573 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.423 -6.704 -0.813 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.153 -6.381 -2.072 1.00 0.00 C ATOM 2052 C ASP B 65 -24.234 -6.619 -3.274 1.00 0.00 C ATOM 2053 O ASP B 65 -24.668 -7.039 -4.328 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.584 -4.911 -2.037 1.00 0.00 C ATOM 2055 CG ASP B 65 -26.827 -4.758 -1.155 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -26.967 -5.532 -0.223 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -27.616 -3.869 -1.428 1.00 0.00 O ATOM 0 H ASP B 65 -24.301 -5.921 -0.171 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.032 -7.019 -2.162 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.773 -4.294 -1.650 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -25.797 -4.560 -3.047 1.00 0.00 H new ATOM 2062 N LEU B 66 -22.970 -6.349 -3.121 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.016 -6.553 -4.245 1.00 0.00 C ATOM 2064 C LEU B 66 -21.793 -8.052 -4.465 1.00 0.00 C ATOM 2065 O LEU B 66 -21.522 -8.496 -5.563 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.687 -5.871 -3.890 1.00 0.00 C ATOM 2067 CG LEU B 66 -20.774 -4.354 -4.169 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.718 -3.615 -3.345 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.517 -4.070 -5.657 1.00 0.00 C ATOM 0 H LEU B 66 -22.553 -5.994 -2.260 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.418 -6.121 -5.161 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.451 -6.042 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -19.878 -6.310 -4.474 1.00 0.00 H new ATOM 0 HG LEU B 66 -21.772 -4.011 -3.897 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.783 -2.546 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -19.891 -3.797 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.726 -3.975 -3.618 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.581 -2.997 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.523 -4.425 -5.929 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.264 -4.586 -6.260 1.00 0.00 H new ATOM 2081 N GLU B 67 -21.912 -8.833 -3.430 1.00 0.00 N ATOM 2082 CA GLU B 67 -21.714 -10.304 -3.578 1.00 0.00 C ATOM 2083 C GLU B 67 -22.908 -10.897 -4.322 1.00 0.00 C ATOM 2084 O GLU B 67 -22.792 -11.882 -5.024 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.615 -10.943 -2.192 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.319 -10.496 -1.509 1.00 0.00 C ATOM 2087 CD GLU B 67 -19.140 -11.312 -2.046 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -19.223 -12.529 -2.014 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -18.175 -10.706 -2.480 1.00 0.00 O ATOM 0 H GLU B 67 -22.138 -8.518 -2.486 1.00 0.00 H new ATOM 0 HA GLU B 67 -20.798 -10.498 -4.136 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.474 -10.656 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -21.635 -12.029 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -20.150 -9.434 -1.689 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.402 -10.627 -0.430 1.00 0.00 H new