USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 48 LYS NZ :NH3+ -114:sc= -3.9! (180deg=-0.54) USER MOD Set 1.2: B 49 GLN : amide:sc= -3.14! C(o=-7!,f=-0.94!) USER MOD Set 2.1: B 44 THR OG1 : rot 140:sc= -0.77 USER MOD Set 2.2: B 47 SER OG : rot -39:sc= 0.258! USER MOD Set 3.1: B 19 LYS NZ :NH3+ 157:sc= -0.199 (180deg=-0.907) USER MOD Set 3.2: B 62 TYR OH : rot 180:sc= -0.132 USER MOD Set 4.1: A 19 LYS NZ :NH3+ 154:sc= -0.217 (180deg=-0.934) USER MOD Set 4.2: A 62 TYR OH : rot 180:sc= -0.102 USER MOD Set 5.1: A 48 LYS NZ :NH3+ -117:sc= -3.74! (180deg=-0.52) USER MOD Set 5.2: A 49 GLN : amide:sc= -3.25! C(o=-7!,f=-0.8!) USER MOD Set 6.1: A 44 THR OG1 : rot 142:sc= -0.68 USER MOD Set 6.2: A 47 SER OG : rot -42:sc= 0.22 USER MOD Single : A 5 SER OG : rot -26:sc= -0.696! USER MOD Single : A 9 THR OG1 : rot 166:sc= -0.482 USER MOD Single : A 14 SER OG : rot -104:sc= 1.63 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.266! USER MOD Single : A 23 ASN : amide:sc= -0.739 K(o=-0.74,f=-2.9!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 40:sc= -0.88 USER MOD Single : A 32 SER OG : rot -130:sc= -0.189 USER MOD Single : A 33 SER OG : rot 180:sc= -0.125 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -3.01! C(o=-3!,f=-5.2!) USER MOD Single : A 45 LYS NZ :NH3+ -132:sc= -2.77 (180deg=-3.36!) USER MOD Single : A 55 SER OG : rot 85:sc= 0.447 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.19) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -17:sc= -0.84! USER MOD Single : B 9 THR OG1 : rot 171:sc= -0.513 USER MOD Single : B 14 SER OG : rot -105:sc= 1.64 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 53:sc= 0.138! USER MOD Single : B 23 ASN : amide:sc= -0.697 K(o=-0.7,f=-2.8!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 26:sc= -0.838 USER MOD Single : B 32 SER OG : rot -130:sc= -0.186 USER MOD Single : B 33 SER OG : rot 180:sc= -0.16 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 43 GLN : amide:sc= -3! C(o=-3!,f=-5.2!) USER MOD Single : B 45 LYS NZ :NH3+ -128:sc= -2.81! (180deg=-3.41!) USER MOD Single : B 55 SER OG : rot 86:sc= 0.431 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.12) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -10.734 10.232 -3.781 1.00 0.00 N ATOM 52 CA SER A 5 -11.446 10.019 -2.492 1.00 0.00 C ATOM 53 C SER A 5 -10.437 9.692 -1.379 1.00 0.00 C ATOM 54 O SER A 5 -9.836 10.572 -0.796 1.00 0.00 O ATOM 55 CB SER A 5 -12.406 8.852 -2.679 1.00 0.00 C ATOM 56 OG SER A 5 -11.773 7.883 -3.505 1.00 0.00 O ATOM 0 HA SER A 5 -11.989 10.920 -2.206 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.667 8.417 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.334 9.193 -3.137 1.00 0.00 H new ATOM 0 HG SER A 5 -11.113 8.324 -4.080 1.00 0.00 H new ATOM 62 N ASP A 6 -10.253 8.428 -1.077 1.00 0.00 N ATOM 63 CA ASP A 6 -9.289 8.045 0.001 1.00 0.00 C ATOM 64 C ASP A 6 -8.817 6.600 -0.226 1.00 0.00 C ATOM 65 O ASP A 6 -9.156 5.723 0.543 1.00 0.00 O ATOM 66 CB ASP A 6 -9.982 8.136 1.368 1.00 0.00 C ATOM 67 CG ASP A 6 -10.763 9.448 1.462 1.00 0.00 C ATOM 68 OD1 ASP A 6 -10.145 10.464 1.735 1.00 0.00 O ATOM 69 OD2 ASP A 6 -11.966 9.415 1.260 1.00 0.00 O ATOM 0 H ASP A 6 -10.728 7.647 -1.530 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.435 8.722 -0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.656 7.290 1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.242 8.084 2.166 1.00 0.00 H new ATOM 74 N PRO A 7 -8.056 6.382 -1.279 1.00 0.00 N ATOM 75 CA PRO A 7 -7.553 5.032 -1.600 1.00 0.00 C ATOM 76 C PRO A 7 -6.610 4.542 -0.479 1.00 0.00 C ATOM 77 O PRO A 7 -6.224 5.319 0.372 1.00 0.00 O ATOM 78 CB PRO A 7 -6.802 5.199 -2.945 1.00 0.00 C ATOM 79 CG PRO A 7 -6.863 6.706 -3.334 1.00 0.00 C ATOM 80 CD PRO A 7 -7.642 7.444 -2.223 1.00 0.00 C ATOM 0 HA PRO A 7 -8.347 4.290 -1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.767 4.870 -2.849 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.262 4.585 -3.719 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.858 7.116 -3.434 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.357 6.833 -4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.017 8.189 -1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.506 7.971 -2.629 1.00 0.00 H new ATOM 88 N PRO A 8 -6.257 3.270 -0.511 1.00 0.00 N ATOM 89 CA PRO A 8 -5.354 2.692 0.506 1.00 0.00 C ATOM 90 C PRO A 8 -3.995 3.409 0.470 1.00 0.00 C ATOM 91 O PRO A 8 -3.885 4.528 0.010 1.00 0.00 O ATOM 92 CB PRO A 8 -5.216 1.199 0.115 1.00 0.00 C ATOM 93 CG PRO A 8 -5.992 0.993 -1.218 1.00 0.00 C ATOM 94 CD PRO A 8 -6.722 2.315 -1.541 1.00 0.00 C ATOM 0 HA PRO A 8 -5.735 2.804 1.521 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.167 0.929 -0.006 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.621 0.558 0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.307 0.727 -2.023 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.706 0.175 -1.123 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.478 2.666 -2.544 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.804 2.188 -1.502 1.00 0.00 H new ATOM 102 N THR A 9 -2.962 2.770 0.955 1.00 0.00 N ATOM 103 CA THR A 9 -1.615 3.412 0.951 1.00 0.00 C ATOM 104 C THR A 9 -0.530 2.336 0.978 1.00 0.00 C ATOM 105 O THR A 9 -0.526 1.459 1.819 1.00 0.00 O ATOM 106 CB THR A 9 -1.475 4.304 2.184 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.649 5.088 2.334 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.261 5.220 2.018 1.00 0.00 C ATOM 0 H THR A 9 -2.994 1.832 1.353 1.00 0.00 H new ATOM 0 HA THR A 9 -1.505 4.013 0.048 1.00 0.00 H new ATOM 0 HB THR A 9 -1.338 3.683 3.070 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.662 5.490 3.228 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.162 5.856 2.898 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.639 4.615 1.904 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.393 5.843 1.133 1.00 0.00 H new ATOM 116 N ALA A 10 0.391 2.401 0.059 1.00 0.00 N ATOM 117 CA ALA A 10 1.484 1.392 0.017 1.00 0.00 C ATOM 118 C ALA A 10 2.419 1.590 1.211 1.00 0.00 C ATOM 119 O ALA A 10 3.463 2.202 1.094 1.00 0.00 O ATOM 120 CB ALA A 10 2.273 1.565 -1.278 1.00 0.00 C ATOM 0 H ALA A 10 0.434 3.114 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 10 1.056 0.391 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.076 0.829 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.609 1.422 -2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.698 2.568 -1.314 1.00 0.00 H new ATOM 126 N CYS A 11 2.058 1.067 2.356 1.00 0.00 N ATOM 127 CA CYS A 11 2.924 1.206 3.570 1.00 0.00 C ATOM 128 C CYS A 11 3.541 -0.156 3.891 1.00 0.00 C ATOM 129 O CYS A 11 2.885 -1.176 3.814 1.00 0.00 O ATOM 130 CB CYS A 11 2.070 1.673 4.752 1.00 0.00 C ATOM 131 SG CYS A 11 1.171 3.177 4.292 1.00 0.00 S ATOM 0 H CYS A 11 1.194 0.545 2.504 1.00 0.00 H new ATOM 0 HA CYS A 11 3.712 1.936 3.386 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.368 0.890 5.038 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.703 1.866 5.618 1.00 0.00 H new ATOM 136 N CYS A 12 4.798 -0.186 4.240 1.00 0.00 N ATOM 137 CA CYS A 12 5.449 -1.489 4.554 1.00 0.00 C ATOM 138 C CYS A 12 4.922 -2.019 5.888 1.00 0.00 C ATOM 139 O CYS A 12 4.690 -1.271 6.817 1.00 0.00 O ATOM 140 CB CYS A 12 6.966 -1.301 4.647 1.00 0.00 C ATOM 141 SG CYS A 12 7.622 -0.851 3.021 1.00 0.00 S ATOM 0 H CYS A 12 5.401 0.633 4.321 1.00 0.00 H new ATOM 0 HA CYS A 12 5.220 -2.202 3.762 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.203 -0.524 5.374 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.436 -2.220 4.998 1.00 0.00 H new ATOM 146 N PHE A 13 4.741 -3.311 5.989 1.00 0.00 N ATOM 147 CA PHE A 13 4.238 -3.915 7.260 1.00 0.00 C ATOM 148 C PHE A 13 5.417 -4.556 7.993 1.00 0.00 C ATOM 149 O PHE A 13 5.360 -4.830 9.175 1.00 0.00 O ATOM 150 CB PHE A 13 3.194 -4.990 6.934 1.00 0.00 C ATOM 151 CG PHE A 13 3.858 -6.126 6.192 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.172 -5.986 4.828 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.169 -7.322 6.868 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.796 -7.043 4.138 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.794 -8.379 6.178 1.00 0.00 C ATOM 156 CZ PHE A 13 5.108 -8.239 4.813 1.00 0.00 C ATOM 0 H PHE A 13 4.922 -3.979 5.239 1.00 0.00 H new ATOM 0 HA PHE A 13 3.781 -3.148 7.885 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.737 -5.359 7.852 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.394 -4.564 6.328 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.935 -5.068 4.310 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.928 -7.429 7.915 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.036 -6.936 3.090 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.032 -9.296 6.696 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.588 -9.049 4.283 1.00 0.00 H new ATOM 166 N SER A 14 6.490 -4.789 7.287 1.00 0.00 N ATOM 167 CA SER A 14 7.691 -5.406 7.914 1.00 0.00 C ATOM 168 C SER A 14 8.921 -5.047 7.079 1.00 0.00 C ATOM 169 O SER A 14 8.927 -4.070 6.358 1.00 0.00 O ATOM 170 CB SER A 14 7.525 -6.926 7.954 1.00 0.00 C ATOM 171 OG SER A 14 7.699 -7.452 6.645 1.00 0.00 O ATOM 0 H SER A 14 6.585 -4.576 6.294 1.00 0.00 H new ATOM 0 HA SER A 14 7.811 -5.033 8.931 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.254 -7.365 8.635 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.537 -7.186 8.334 1.00 0.00 H new ATOM 0 HG SER A 14 6.826 -7.691 6.270 1.00 0.00 H new ATOM 177 N TYR A 15 9.967 -5.825 7.166 1.00 0.00 N ATOM 178 CA TYR A 15 11.194 -5.517 6.370 1.00 0.00 C ATOM 179 C TYR A 15 11.982 -6.806 6.134 1.00 0.00 C ATOM 180 O TYR A 15 11.804 -7.789 6.827 1.00 0.00 O ATOM 181 CB TYR A 15 12.070 -4.518 7.139 1.00 0.00 C ATOM 182 CG TYR A 15 11.199 -3.483 7.808 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.843 -2.308 7.119 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.741 -3.695 9.123 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.029 -1.345 7.746 1.00 0.00 C ATOM 186 CE2 TYR A 15 9.928 -2.732 9.749 1.00 0.00 C ATOM 187 CZ TYR A 15 9.571 -1.557 9.061 1.00 0.00 C ATOM 188 OH TYR A 15 8.774 -0.612 9.674 1.00 0.00 O ATOM 0 H TYR A 15 10.026 -6.658 7.751 1.00 0.00 H new ATOM 0 HA TYR A 15 10.905 -5.083 5.413 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.666 -5.043 7.886 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.769 -4.033 6.457 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.194 -2.145 6.111 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.014 -4.597 9.651 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.756 -0.443 7.218 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.578 -2.894 10.758 1.00 0.00 H new ATOM 0 HH TYR A 15 8.545 -0.914 10.578 1.00 0.00 H new ATOM 198 N THR A 16 12.861 -6.810 5.169 1.00 0.00 N ATOM 199 CA THR A 16 13.660 -8.041 4.912 1.00 0.00 C ATOM 200 C THR A 16 14.460 -8.377 6.175 1.00 0.00 C ATOM 201 O THR A 16 14.145 -7.914 7.253 1.00 0.00 O ATOM 202 CB THR A 16 14.599 -7.813 3.718 1.00 0.00 C ATOM 203 OG1 THR A 16 15.487 -8.912 3.588 1.00 0.00 O ATOM 204 CG2 THR A 16 15.402 -6.527 3.918 1.00 0.00 C ATOM 0 H THR A 16 13.059 -6.022 4.553 1.00 0.00 H new ATOM 0 HA THR A 16 13.001 -8.875 4.670 1.00 0.00 H new ATOM 0 HB THR A 16 14.000 -7.722 2.812 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.083 -8.763 2.824 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.064 -6.375 3.066 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.720 -5.681 4.002 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.995 -6.606 4.829 1.00 0.00 H new ATOM 212 N ALA A 17 15.487 -9.177 6.060 1.00 0.00 N ATOM 213 CA ALA A 17 16.298 -9.539 7.262 1.00 0.00 C ATOM 214 C ALA A 17 17.768 -9.639 6.860 1.00 0.00 C ATOM 215 O ALA A 17 18.606 -10.070 7.628 1.00 0.00 O ATOM 216 CB ALA A 17 15.824 -10.889 7.803 1.00 0.00 C ATOM 0 H ALA A 17 15.800 -9.597 5.185 1.00 0.00 H new ATOM 0 HA ALA A 17 16.179 -8.777 8.032 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.413 -11.157 8.680 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.772 -10.821 8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.949 -11.653 7.035 1.00 0.00 H new ATOM 222 N ARG A 18 18.087 -9.239 5.658 1.00 0.00 N ATOM 223 CA ARG A 18 19.502 -9.302 5.185 1.00 0.00 C ATOM 224 C ARG A 18 19.797 -8.073 4.321 1.00 0.00 C ATOM 225 O ARG A 18 19.025 -7.713 3.454 1.00 0.00 O ATOM 226 CB ARG A 18 19.698 -10.573 4.353 1.00 0.00 C ATOM 227 CG ARG A 18 19.877 -11.775 5.285 1.00 0.00 C ATOM 228 CD ARG A 18 19.713 -13.066 4.487 1.00 0.00 C ATOM 229 NE ARG A 18 20.215 -14.215 5.291 1.00 0.00 N ATOM 230 CZ ARG A 18 19.907 -15.436 4.948 1.00 0.00 C ATOM 231 NH1 ARG A 18 19.156 -15.650 3.902 1.00 0.00 N ATOM 232 NH2 ARG A 18 20.349 -16.443 5.651 1.00 0.00 N ATOM 0 H ARG A 18 17.423 -8.868 4.978 1.00 0.00 H new ATOM 0 HA ARG A 18 20.179 -9.318 6.039 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.838 -10.730 3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.571 -10.467 3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.862 -11.745 5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.143 -11.737 6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.664 -13.218 4.232 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.263 -12.998 3.548 1.00 0.00 H new ATOM 0 HE ARG A 18 20.800 -14.048 6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.810 -14.863 3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.915 -16.604 3.634 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.935 -16.276 6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.108 -17.397 5.383 1.00 0.00 H new ATOM 246 N LYS A 19 20.909 -7.430 4.545 1.00 0.00 N ATOM 247 CA LYS A 19 21.248 -6.231 3.730 1.00 0.00 C ATOM 248 C LYS A 19 21.437 -6.660 2.271 1.00 0.00 C ATOM 249 O LYS A 19 22.147 -7.601 1.975 1.00 0.00 O ATOM 250 CB LYS A 19 22.538 -5.594 4.276 1.00 0.00 C ATOM 251 CG LYS A 19 23.187 -4.700 3.210 1.00 0.00 C ATOM 252 CD LYS A 19 24.224 -3.784 3.864 1.00 0.00 C ATOM 253 CE LYS A 19 25.354 -4.615 4.473 1.00 0.00 C ATOM 254 NZ LYS A 19 25.793 -5.659 3.505 1.00 0.00 N ATOM 0 H LYS A 19 21.596 -7.682 5.255 1.00 0.00 H new ATOM 0 HA LYS A 19 20.445 -5.496 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.312 -5.005 5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.236 -6.374 4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 19 23.662 -5.315 2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.425 -4.103 2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 19 24.629 -3.094 3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 19 23.750 -3.180 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 19 26.194 -3.970 4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 19 25.016 -5.083 5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 26.783 -5.915 3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 25.191 -6.501 3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.712 -5.290 2.536 1.00 0.00 H new ATOM 268 N LEU A 20 20.806 -5.973 1.360 1.00 0.00 N ATOM 269 CA LEU A 20 20.946 -6.335 -0.077 1.00 0.00 C ATOM 270 C LEU A 20 22.335 -5.883 -0.586 1.00 0.00 C ATOM 271 O LEU A 20 22.655 -4.719 -0.459 1.00 0.00 O ATOM 272 CB LEU A 20 19.874 -5.598 -0.882 1.00 0.00 C ATOM 273 CG LEU A 20 18.515 -5.728 -0.193 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.439 -5.137 -1.104 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.203 -7.205 0.074 1.00 0.00 C ATOM 0 H LEU A 20 20.199 -5.176 1.549 1.00 0.00 H new ATOM 0 HA LEU A 20 20.837 -7.413 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.141 -4.546 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.820 -6.008 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 20 18.535 -5.193 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.465 -5.225 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.658 -4.086 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.425 -5.679 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.233 -7.289 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.180 -7.748 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.974 -7.629 0.718 1.00 0.00 H new ATOM 287 N PRO A 21 23.128 -6.773 -1.166 1.00 0.00 N ATOM 288 CA PRO A 21 24.448 -6.368 -1.684 1.00 0.00 C ATOM 289 C PRO A 21 24.278 -5.214 -2.675 1.00 0.00 C ATOM 290 O PRO A 21 23.324 -5.169 -3.424 1.00 0.00 O ATOM 291 CB PRO A 21 25.004 -7.624 -2.393 1.00 0.00 C ATOM 292 CG PRO A 21 24.039 -8.801 -2.075 1.00 0.00 C ATOM 293 CD PRO A 21 22.809 -8.209 -1.353 1.00 0.00 C ATOM 0 HA PRO A 21 25.120 -6.022 -0.899 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.069 -7.461 -3.469 1.00 0.00 H new ATOM 0 HB3 PRO A 21 26.012 -7.848 -2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.738 -9.309 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.532 -9.543 -1.447 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.903 -8.338 -1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.637 -8.703 -0.397 1.00 0.00 H new ATOM 301 N ARG A 22 25.200 -4.293 -2.701 1.00 0.00 N ATOM 302 CA ARG A 22 25.084 -3.168 -3.669 1.00 0.00 C ATOM 303 C ARG A 22 24.832 -3.747 -5.062 1.00 0.00 C ATOM 304 O ARG A 22 24.147 -3.164 -5.878 1.00 0.00 O ATOM 305 CB ARG A 22 26.379 -2.358 -3.676 1.00 0.00 C ATOM 306 CG ARG A 22 26.196 -1.121 -4.562 1.00 0.00 C ATOM 307 CD ARG A 22 27.449 -0.241 -4.496 1.00 0.00 C ATOM 308 NE ARG A 22 27.085 1.181 -4.802 1.00 0.00 N ATOM 309 CZ ARG A 22 26.416 1.496 -5.879 1.00 0.00 C ATOM 310 NH1 ARG A 22 26.215 0.612 -6.817 1.00 0.00 N ATOM 311 NH2 ARG A 22 25.997 2.721 -6.046 1.00 0.00 N ATOM 0 H ARG A 22 26.023 -4.270 -2.099 1.00 0.00 H new ATOM 0 HA ARG A 22 24.260 -2.514 -3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.639 -2.058 -2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.202 -2.968 -4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 22 26.009 -1.425 -5.592 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.325 -0.554 -4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 22 27.899 -0.306 -3.505 1.00 0.00 H new ATOM 0 HD3 ARG A 22 28.193 -0.597 -5.208 1.00 0.00 H new ATOM 0 HE ARG A 22 27.366 1.918 -4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 22 26.581 -0.334 -6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 22 25.691 0.867 -7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 22 26.192 3.428 -5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 22 25.474 2.971 -6.885 1.00 0.00 H new ATOM 325 N ASN A 23 25.383 -4.901 -5.331 1.00 0.00 N ATOM 326 CA ASN A 23 25.182 -5.538 -6.663 1.00 0.00 C ATOM 327 C ASN A 23 23.750 -6.070 -6.768 1.00 0.00 C ATOM 328 O ASN A 23 23.435 -6.860 -7.636 1.00 0.00 O ATOM 329 CB ASN A 23 26.168 -6.697 -6.827 1.00 0.00 C ATOM 330 CG ASN A 23 26.081 -7.246 -8.251 1.00 0.00 C ATOM 331 OD1 ASN A 23 25.588 -6.582 -9.142 1.00 0.00 O ATOM 332 ND2 ASN A 23 26.542 -8.440 -8.507 1.00 0.00 N ATOM 0 H ASN A 23 25.965 -5.431 -4.682 1.00 0.00 H new ATOM 0 HA ASN A 23 25.352 -4.799 -7.446 1.00 0.00 H new ATOM 0 HB2 ASN A 23 27.182 -6.357 -6.619 1.00 0.00 H new ATOM 0 HB3 ASN A 23 25.942 -7.485 -6.108 1.00 0.00 H new ATOM 0 HD21 ASN A 23 26.488 -8.815 -9.454 1.00 0.00 H new ATOM 0 HD22 ASN A 23 26.956 -8.998 -7.760 1.00 0.00 H new ATOM 339 N PHE A 24 22.882 -5.650 -5.884 1.00 0.00 N ATOM 340 CA PHE A 24 21.465 -6.135 -5.918 1.00 0.00 C ATOM 341 C PHE A 24 20.530 -4.960 -5.615 1.00 0.00 C ATOM 342 O PHE A 24 19.445 -5.132 -5.097 1.00 0.00 O ATOM 343 CB PHE A 24 21.292 -7.231 -4.851 1.00 0.00 C ATOM 344 CG PHE A 24 20.103 -8.112 -5.176 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.093 -8.865 -6.367 1.00 0.00 C ATOM 346 CD2 PHE A 24 19.013 -8.192 -4.285 1.00 0.00 C ATOM 347 CE1 PHE A 24 18.997 -9.693 -6.667 1.00 0.00 C ATOM 348 CE2 PHE A 24 17.915 -9.020 -4.588 1.00 0.00 C ATOM 349 CZ PHE A 24 17.907 -9.770 -5.778 1.00 0.00 C ATOM 0 H PHE A 24 23.092 -4.989 -5.136 1.00 0.00 H new ATOM 0 HA PHE A 24 21.225 -6.542 -6.900 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.196 -7.838 -4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.155 -6.773 -3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 24 20.928 -8.806 -7.050 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.020 -7.618 -3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 24 18.991 -10.270 -7.580 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.079 -9.079 -3.907 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.065 -10.405 -6.010 1.00 0.00 H new ATOM 359 N VAL A 25 20.950 -3.765 -5.941 1.00 0.00 N ATOM 360 CA VAL A 25 20.099 -2.565 -5.681 1.00 0.00 C ATOM 361 C VAL A 25 20.391 -1.510 -6.750 1.00 0.00 C ATOM 362 O VAL A 25 21.266 -0.682 -6.595 1.00 0.00 O ATOM 363 CB VAL A 25 20.427 -1.990 -4.301 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.496 -0.815 -4.001 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.235 -3.070 -3.235 1.00 0.00 C ATOM 0 H VAL A 25 21.850 -3.568 -6.378 1.00 0.00 H new ATOM 0 HA VAL A 25 19.047 -2.848 -5.712 1.00 0.00 H new ATOM 0 HB VAL A 25 21.462 -1.648 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.731 -0.407 -3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.631 -0.042 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.461 -1.158 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.469 -2.658 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.201 -3.413 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.898 -3.909 -3.444 1.00 0.00 H new ATOM 375 N VAL A 26 19.670 -1.539 -7.838 1.00 0.00 N ATOM 376 CA VAL A 26 19.909 -0.548 -8.923 1.00 0.00 C ATOM 377 C VAL A 26 19.133 0.736 -8.632 1.00 0.00 C ATOM 378 O VAL A 26 19.347 1.754 -9.259 1.00 0.00 O ATOM 379 CB VAL A 26 19.440 -1.137 -10.253 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.323 -2.330 -10.619 1.00 0.00 C ATOM 381 CG2 VAL A 26 17.986 -1.602 -10.126 1.00 0.00 C ATOM 0 H VAL A 26 18.923 -2.209 -8.022 1.00 0.00 H new ATOM 0 HA VAL A 26 20.973 -0.318 -8.976 1.00 0.00 H new ATOM 0 HB VAL A 26 19.510 -0.376 -11.030 1.00 0.00 H new ATOM 0 HG11 VAL A 26 19.990 -2.752 -11.567 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.358 -2.002 -10.711 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.251 -3.089 -9.840 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.654 -2.022 -11.076 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.914 -2.362 -9.348 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.354 -0.753 -9.864 1.00 0.00 H new ATOM 391 N ASP A 27 18.235 0.701 -7.689 1.00 0.00 N ATOM 392 CA ASP A 27 17.455 1.930 -7.374 1.00 0.00 C ATOM 393 C ASP A 27 16.656 1.707 -6.094 1.00 0.00 C ATOM 394 O ASP A 27 16.826 0.718 -5.410 1.00 0.00 O ATOM 395 CB ASP A 27 16.497 2.233 -8.529 1.00 0.00 C ATOM 396 CG ASP A 27 15.929 3.644 -8.367 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.694 4.587 -8.491 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.739 3.758 -8.121 1.00 0.00 O ATOM 0 H ASP A 27 18.008 -0.119 -7.126 1.00 0.00 H new ATOM 0 HA ASP A 27 18.135 2.771 -7.236 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.021 2.148 -9.481 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.687 1.504 -8.544 1.00 0.00 H new ATOM 403 N TYR A 28 15.781 2.617 -5.760 1.00 0.00 N ATOM 404 CA TYR A 28 14.974 2.446 -4.522 1.00 0.00 C ATOM 405 C TYR A 28 13.677 3.245 -4.629 1.00 0.00 C ATOM 406 O TYR A 28 13.371 3.836 -5.645 1.00 0.00 O ATOM 407 CB TYR A 28 15.777 2.905 -3.298 1.00 0.00 C ATOM 408 CG TYR A 28 15.875 4.418 -3.255 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.553 5.113 -4.276 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.299 5.131 -2.184 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.652 6.516 -4.227 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.398 6.532 -2.133 1.00 0.00 C ATOM 413 CZ TYR A 28 16.075 7.227 -3.156 1.00 0.00 C ATOM 414 OH TYR A 28 16.174 8.602 -3.107 1.00 0.00 O ATOM 0 H TYR A 28 15.592 3.468 -6.290 1.00 0.00 H new ATOM 0 HA TYR A 28 14.730 1.390 -4.404 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.301 2.541 -2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.777 2.472 -3.330 1.00 0.00 H new ATOM 0 HD1 TYR A 28 16.997 4.569 -5.097 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.780 4.599 -1.400 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.171 7.048 -5.011 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.956 7.076 -1.311 1.00 0.00 H new ATOM 0 HH TYR A 28 15.721 8.934 -2.304 1.00 0.00 H new ATOM 424 N TYR A 29 12.912 3.245 -3.581 1.00 0.00 N ATOM 425 CA TYR A 29 11.619 3.974 -3.584 1.00 0.00 C ATOM 426 C TYR A 29 11.185 4.183 -2.127 1.00 0.00 C ATOM 427 O TYR A 29 11.365 3.318 -1.299 1.00 0.00 O ATOM 428 CB TYR A 29 10.591 3.123 -4.351 1.00 0.00 C ATOM 429 CG TYR A 29 9.182 3.545 -4.005 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.670 4.752 -4.511 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.387 2.731 -3.177 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.358 5.148 -4.186 1.00 0.00 C ATOM 433 CE2 TYR A 29 7.076 3.124 -2.853 1.00 0.00 C ATOM 434 CZ TYR A 29 6.560 4.334 -3.357 1.00 0.00 C ATOM 435 OH TYR A 29 5.275 4.722 -3.039 1.00 0.00 O ATOM 0 H TYR A 29 13.130 2.764 -2.709 1.00 0.00 H new ATOM 0 HA TYR A 29 11.704 4.946 -4.069 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.754 3.227 -5.424 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.730 2.070 -4.108 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.281 5.375 -5.148 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.784 1.804 -2.790 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.963 6.076 -4.572 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.466 2.499 -2.218 1.00 0.00 H new ATOM 0 HH TYR A 29 4.863 4.047 -2.460 1.00 0.00 H new ATOM 445 N GLU A 30 10.624 5.319 -1.802 1.00 0.00 N ATOM 446 CA GLU A 30 10.189 5.567 -0.388 1.00 0.00 C ATOM 447 C GLU A 30 8.685 5.298 -0.256 1.00 0.00 C ATOM 448 O GLU A 30 7.947 5.343 -1.220 1.00 0.00 O ATOM 449 CB GLU A 30 10.485 7.020 -0.013 1.00 0.00 C ATOM 450 CG GLU A 30 11.984 7.191 0.240 1.00 0.00 C ATOM 451 CD GLU A 30 12.308 8.677 0.405 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.471 9.488 0.046 1.00 0.00 O ATOM 453 OE2 GLU A 30 13.387 8.978 0.887 1.00 0.00 O ATOM 0 H GLU A 30 10.447 6.086 -2.450 1.00 0.00 H new ATOM 0 HA GLU A 30 10.733 4.900 0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.163 7.685 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.922 7.298 0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.277 6.642 1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.554 6.774 -0.590 1.00 0.00 H new ATOM 460 N THR A 31 8.233 5.008 0.935 1.00 0.00 N ATOM 461 CA THR A 31 6.781 4.720 1.148 1.00 0.00 C ATOM 462 C THR A 31 5.963 6.012 1.092 1.00 0.00 C ATOM 463 O THR A 31 6.425 7.040 0.637 1.00 0.00 O ATOM 464 CB THR A 31 6.598 4.075 2.522 1.00 0.00 C ATOM 465 OG1 THR A 31 7.291 4.846 3.485 1.00 0.00 O ATOM 466 CG2 THR A 31 7.155 2.651 2.488 1.00 0.00 C ATOM 0 H THR A 31 8.809 4.958 1.775 1.00 0.00 H new ATOM 0 HA THR A 31 6.435 4.048 0.362 1.00 0.00 H new ATOM 0 HB THR A 31 5.540 4.036 2.783 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.173 5.799 3.288 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.027 2.187 3.466 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.621 2.069 1.737 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.215 2.681 2.237 1.00 0.00 H new ATOM 474 N SER A 32 4.744 5.956 1.558 1.00 0.00 N ATOM 475 CA SER A 32 3.867 7.160 1.548 1.00 0.00 C ATOM 476 C SER A 32 4.109 7.985 2.811 1.00 0.00 C ATOM 477 O SER A 32 5.222 8.119 3.280 1.00 0.00 O ATOM 478 CB SER A 32 2.408 6.712 1.518 1.00 0.00 C ATOM 479 OG SER A 32 2.214 5.812 0.434 1.00 0.00 O ATOM 0 H SER A 32 4.315 5.117 1.949 1.00 0.00 H new ATOM 0 HA SER A 32 4.092 7.766 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.145 6.228 2.459 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.753 7.576 1.410 1.00 0.00 H new ATOM 0 HG SER A 32 1.437 6.095 -0.091 1.00 0.00 H new ATOM 485 N SER A 33 3.064 8.540 3.360 1.00 0.00 N ATOM 486 CA SER A 33 3.201 9.368 4.596 1.00 0.00 C ATOM 487 C SER A 33 1.957 9.182 5.460 1.00 0.00 C ATOM 488 O SER A 33 2.026 9.158 6.673 1.00 0.00 O ATOM 489 CB SER A 33 3.312 10.836 4.201 1.00 0.00 C ATOM 490 OG SER A 33 2.012 11.353 3.946 1.00 0.00 O ATOM 0 H SER A 33 2.112 8.456 3.004 1.00 0.00 H new ATOM 0 HA SER A 33 4.089 9.063 5.150 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.792 11.404 4.998 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.938 10.940 3.314 1.00 0.00 H new ATOM 0 HG SER A 33 2.079 12.297 3.693 1.00 0.00 H new ATOM 496 N LEU A 34 0.820 9.061 4.831 1.00 0.00 N ATOM 497 CA LEU A 34 -0.461 8.882 5.579 1.00 0.00 C ATOM 498 C LEU A 34 -0.258 7.936 6.763 1.00 0.00 C ATOM 499 O LEU A 34 -0.531 8.273 7.898 1.00 0.00 O ATOM 500 CB LEU A 34 -1.517 8.284 4.648 1.00 0.00 C ATOM 501 CG LEU A 34 -1.482 8.984 3.289 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.658 8.497 2.440 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.583 10.501 3.488 1.00 0.00 C ATOM 0 H LEU A 34 0.721 9.079 3.816 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.789 9.855 5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.337 7.217 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.506 8.389 5.094 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.545 8.751 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.637 8.994 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.582 7.419 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.594 8.731 2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.558 10.998 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.518 10.740 3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.745 10.845 4.094 1.00 0.00 H new ATOM 515 N CYS A 35 0.216 6.753 6.502 1.00 0.00 N ATOM 516 CA CYS A 35 0.432 5.783 7.609 1.00 0.00 C ATOM 517 C CYS A 35 1.587 6.274 8.487 1.00 0.00 C ATOM 518 O CYS A 35 2.639 6.633 8.006 1.00 0.00 O ATOM 519 CB CYS A 35 0.754 4.402 7.027 1.00 0.00 C ATOM 520 SG CYS A 35 1.837 4.579 5.587 1.00 0.00 S ATOM 0 H CYS A 35 0.463 6.415 5.572 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.470 5.704 8.216 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.237 3.783 7.783 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.167 3.895 6.740 1.00 0.00 H new ATOM 525 N SER A 36 1.380 6.318 9.773 1.00 0.00 N ATOM 526 CA SER A 36 2.447 6.801 10.697 1.00 0.00 C ATOM 527 C SER A 36 3.654 5.849 10.707 1.00 0.00 C ATOM 528 O SER A 36 4.318 5.713 11.715 1.00 0.00 O ATOM 529 CB SER A 36 1.877 6.901 12.112 1.00 0.00 C ATOM 530 OG SER A 36 0.788 7.814 12.116 1.00 0.00 O ATOM 0 H SER A 36 0.511 6.038 10.228 1.00 0.00 H new ATOM 0 HA SER A 36 2.784 7.777 10.349 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.546 5.920 12.453 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.649 7.235 12.805 1.00 0.00 H new ATOM 0 HG SER A 36 0.419 7.879 13.022 1.00 0.00 H new ATOM 536 N GLN A 37 3.958 5.184 9.619 1.00 0.00 N ATOM 537 CA GLN A 37 5.132 4.256 9.640 1.00 0.00 C ATOM 538 C GLN A 37 5.715 4.066 8.230 1.00 0.00 C ATOM 539 O GLN A 37 5.675 2.975 7.704 1.00 0.00 O ATOM 540 CB GLN A 37 4.698 2.894 10.196 1.00 0.00 C ATOM 541 CG GLN A 37 3.399 2.438 9.520 1.00 0.00 C ATOM 542 CD GLN A 37 2.941 1.118 10.142 1.00 0.00 C ATOM 543 OE1 GLN A 37 2.288 1.111 11.167 1.00 0.00 O ATOM 544 NE2 GLN A 37 3.256 -0.007 9.562 1.00 0.00 N ATOM 0 H GLN A 37 3.455 5.241 8.733 1.00 0.00 H new ATOM 0 HA GLN A 37 5.902 4.694 10.276 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.483 2.157 10.027 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.551 2.963 11.274 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.627 3.198 9.641 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.558 2.313 8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.804 -0.001 8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.954 -0.892 9.969 1.00 0.00 H new ATOM 553 N PRO A 38 6.267 5.119 7.664 1.00 0.00 N ATOM 554 CA PRO A 38 6.885 5.041 6.324 1.00 0.00 C ATOM 555 C PRO A 38 8.149 4.172 6.408 1.00 0.00 C ATOM 556 O PRO A 38 8.512 3.683 7.459 1.00 0.00 O ATOM 557 CB PRO A 38 7.234 6.505 5.965 1.00 0.00 C ATOM 558 CG PRO A 38 6.956 7.374 7.227 1.00 0.00 C ATOM 559 CD PRO A 38 6.316 6.457 8.294 1.00 0.00 C ATOM 0 HA PRO A 38 6.235 4.594 5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.279 6.588 5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.632 6.847 5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.881 7.811 7.603 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.289 8.201 6.983 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.908 6.442 9.209 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.319 6.803 8.566 1.00 0.00 H new ATOM 567 N ALA A 39 8.817 3.986 5.308 1.00 0.00 N ATOM 568 CA ALA A 39 10.053 3.166 5.302 1.00 0.00 C ATOM 569 C ALA A 39 10.734 3.338 3.948 1.00 0.00 C ATOM 570 O ALA A 39 10.151 3.867 3.022 1.00 0.00 O ATOM 571 CB ALA A 39 9.695 1.694 5.509 1.00 0.00 C ATOM 0 H ALA A 39 8.555 4.373 4.401 1.00 0.00 H new ATOM 0 HA ALA A 39 10.719 3.485 6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.605 1.094 5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.187 1.574 6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.038 1.363 4.705 1.00 0.00 H new ATOM 577 N VAL A 40 11.947 2.877 3.806 1.00 0.00 N ATOM 578 CA VAL A 40 12.640 2.996 2.488 1.00 0.00 C ATOM 579 C VAL A 40 12.477 1.664 1.766 1.00 0.00 C ATOM 580 O VAL A 40 12.478 0.614 2.378 1.00 0.00 O ATOM 581 CB VAL A 40 14.129 3.303 2.699 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.907 3.025 1.408 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.289 4.777 3.066 1.00 0.00 C ATOM 0 H VAL A 40 12.488 2.424 4.542 1.00 0.00 H new ATOM 0 HA VAL A 40 12.210 3.807 1.900 1.00 0.00 H new ATOM 0 HB VAL A 40 14.516 2.672 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.963 3.245 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.792 1.977 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.520 3.655 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.345 5.002 3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.898 5.397 2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.739 4.985 3.983 1.00 0.00 H new ATOM 593 N VAL A 41 12.321 1.704 0.471 1.00 0.00 N ATOM 594 CA VAL A 41 12.134 0.446 -0.318 1.00 0.00 C ATOM 595 C VAL A 41 13.252 0.320 -1.359 1.00 0.00 C ATOM 596 O VAL A 41 13.402 1.157 -2.220 1.00 0.00 O ATOM 597 CB VAL A 41 10.770 0.501 -1.013 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.334 -0.907 -1.411 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.734 1.090 -0.051 1.00 0.00 C ATOM 0 H VAL A 41 12.315 2.561 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 41 12.173 -0.420 0.343 1.00 0.00 H new ATOM 0 HB VAL A 41 10.848 1.124 -1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.363 -0.861 -1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.068 -1.336 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.259 -1.530 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.762 1.130 -0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.665 0.463 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.037 2.097 0.238 1.00 0.00 H new ATOM 609 N PHE A 42 14.045 -0.718 -1.286 1.00 0.00 N ATOM 610 CA PHE A 42 15.158 -0.878 -2.274 1.00 0.00 C ATOM 611 C PHE A 42 14.674 -1.670 -3.493 1.00 0.00 C ATOM 612 O PHE A 42 14.017 -2.683 -3.367 1.00 0.00 O ATOM 613 CB PHE A 42 16.320 -1.640 -1.621 1.00 0.00 C ATOM 614 CG PHE A 42 17.086 -0.726 -0.689 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.773 0.392 -1.203 1.00 0.00 C ATOM 616 CD2 PHE A 42 17.125 -0.999 0.693 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.494 1.236 -0.337 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.848 -0.157 1.558 1.00 0.00 C ATOM 619 CZ PHE A 42 18.532 0.961 1.043 1.00 0.00 C ATOM 0 H PHE A 42 13.972 -1.459 -0.589 1.00 0.00 H new ATOM 0 HA PHE A 42 15.488 0.111 -2.590 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.937 -2.497 -1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.987 -2.029 -2.390 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.746 0.602 -2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.599 -1.855 1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 42 19.018 2.094 -0.731 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.878 -0.368 2.617 1.00 0.00 H new ATOM 0 HZ PHE A 42 19.086 1.608 1.707 1.00 0.00 H new ATOM 629 N GLN A 43 15.025 -1.224 -4.673 1.00 0.00 N ATOM 630 CA GLN A 43 14.623 -1.950 -5.916 1.00 0.00 C ATOM 631 C GLN A 43 15.797 -2.837 -6.338 1.00 0.00 C ATOM 632 O GLN A 43 16.902 -2.356 -6.518 1.00 0.00 O ATOM 633 CB GLN A 43 14.304 -0.927 -7.008 1.00 0.00 C ATOM 634 CG GLN A 43 13.052 -0.138 -6.616 1.00 0.00 C ATOM 635 CD GLN A 43 12.933 1.104 -7.501 1.00 0.00 C ATOM 636 OE1 GLN A 43 12.493 2.144 -7.052 1.00 0.00 O ATOM 637 NE2 GLN A 43 13.308 1.040 -8.749 1.00 0.00 N ATOM 0 H GLN A 43 15.577 -0.381 -4.829 1.00 0.00 H new ATOM 0 HA GLN A 43 13.739 -2.564 -5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.147 -0.249 -7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.145 -1.433 -7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.166 -0.763 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.107 0.154 -5.567 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.677 0.167 -9.126 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.232 1.863 -9.347 1.00 0.00 H new ATOM 646 N THR A 44 15.590 -4.136 -6.453 1.00 0.00 N ATOM 647 CA THR A 44 16.736 -5.047 -6.807 1.00 0.00 C ATOM 648 C THR A 44 16.752 -5.413 -8.292 1.00 0.00 C ATOM 649 O THR A 44 16.294 -4.675 -9.142 1.00 0.00 O ATOM 650 CB THR A 44 16.627 -6.336 -5.995 1.00 0.00 C ATOM 651 OG1 THR A 44 15.694 -7.204 -6.619 1.00 0.00 O ATOM 652 CG2 THR A 44 16.153 -6.009 -4.580 1.00 0.00 C ATOM 0 H THR A 44 14.691 -4.598 -6.319 1.00 0.00 H new ATOM 0 HA THR A 44 17.657 -4.511 -6.578 1.00 0.00 H new ATOM 0 HB THR A 44 17.602 -6.821 -5.946 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.015 -8.128 -6.557 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.075 -6.929 -4.001 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.868 -5.339 -4.103 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.177 -5.526 -4.626 1.00 0.00 H new ATOM 660 N LYS A 45 17.312 -6.565 -8.594 1.00 0.00 N ATOM 661 CA LYS A 45 17.420 -7.037 -10.010 1.00 0.00 C ATOM 662 C LYS A 45 16.590 -8.311 -10.213 1.00 0.00 C ATOM 663 O LYS A 45 16.062 -8.547 -11.282 1.00 0.00 O ATOM 664 CB LYS A 45 18.885 -7.361 -10.305 1.00 0.00 C ATOM 665 CG LYS A 45 19.764 -6.178 -9.902 1.00 0.00 C ATOM 666 CD LYS A 45 21.232 -6.505 -10.202 1.00 0.00 C ATOM 667 CE LYS A 45 22.043 -5.212 -10.273 1.00 0.00 C ATOM 668 NZ LYS A 45 22.013 -4.532 -8.947 1.00 0.00 N ATOM 0 H LYS A 45 17.704 -7.206 -7.904 1.00 0.00 H new ATOM 0 HA LYS A 45 17.050 -6.257 -10.676 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.187 -8.254 -9.758 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.013 -7.578 -11.366 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.461 -5.284 -10.447 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.638 -5.963 -8.841 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.635 -7.157 -9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.309 -7.046 -11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 45 23.072 -5.431 -10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 45 21.633 -4.555 -11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 21.782 -3.526 -9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 21.292 -4.978 -8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 22.944 -4.617 -8.492 1.00 0.00 H new ATOM 682 N ARG A 46 16.477 -9.135 -9.195 1.00 0.00 N ATOM 683 CA ARG A 46 15.688 -10.410 -9.312 1.00 0.00 C ATOM 684 C ARG A 46 14.560 -10.365 -8.288 1.00 0.00 C ATOM 685 O ARG A 46 14.335 -11.285 -7.531 1.00 0.00 O ATOM 686 CB ARG A 46 16.621 -11.612 -9.050 1.00 0.00 C ATOM 687 CG ARG A 46 15.872 -12.971 -9.070 1.00 0.00 C ATOM 688 CD ARG A 46 14.743 -12.992 -10.111 1.00 0.00 C ATOM 689 NE ARG A 46 14.234 -14.386 -10.254 1.00 0.00 N ATOM 690 CZ ARG A 46 13.093 -14.606 -10.847 1.00 0.00 C ATOM 691 NH1 ARG A 46 12.398 -13.608 -11.319 1.00 0.00 N ATOM 692 NH2 ARG A 46 12.647 -15.827 -10.970 1.00 0.00 N ATOM 0 H ARG A 46 16.901 -8.979 -8.280 1.00 0.00 H new ATOM 0 HA ARG A 46 15.265 -10.517 -10.311 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.409 -11.625 -9.803 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.107 -11.485 -8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.579 -13.771 -9.287 1.00 0.00 H new ATOM 0 HG3 ARG A 46 15.457 -13.171 -8.082 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.936 -12.327 -9.803 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.109 -12.626 -11.070 1.00 0.00 H new ATOM 0 HE ARG A 46 14.778 -15.168 -9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.747 -12.654 -11.225 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.506 -13.782 -11.782 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.191 -16.608 -10.603 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.755 -16.000 -11.433 1.00 0.00 H new ATOM 706 N SER A 47 13.842 -9.289 -8.271 1.00 0.00 N ATOM 707 CA SER A 47 12.721 -9.151 -7.325 1.00 0.00 C ATOM 708 C SER A 47 11.875 -7.972 -7.781 1.00 0.00 C ATOM 709 O SER A 47 11.383 -7.940 -8.891 1.00 0.00 O ATOM 710 CB SER A 47 13.261 -8.919 -5.911 1.00 0.00 C ATOM 711 OG SER A 47 14.326 -9.828 -5.663 1.00 0.00 O ATOM 0 H SER A 47 13.989 -8.487 -8.884 1.00 0.00 H new ATOM 0 HA SER A 47 12.115 -10.057 -7.305 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.611 -7.892 -5.806 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.467 -9.061 -5.178 1.00 0.00 H new ATOM 0 HG SER A 47 14.087 -10.714 -6.007 1.00 0.00 H new ATOM 717 N LYS A 48 11.721 -7.000 -6.953 1.00 0.00 N ATOM 718 CA LYS A 48 10.933 -5.812 -7.338 1.00 0.00 C ATOM 719 C LYS A 48 11.290 -4.688 -6.376 1.00 0.00 C ATOM 720 O LYS A 48 12.089 -3.824 -6.681 1.00 0.00 O ATOM 721 CB LYS A 48 9.436 -6.141 -7.268 1.00 0.00 C ATOM 722 CG LYS A 48 8.652 -5.109 -8.078 1.00 0.00 C ATOM 723 CD LYS A 48 7.163 -5.212 -7.739 1.00 0.00 C ATOM 724 CE LYS A 48 6.350 -4.442 -8.779 1.00 0.00 C ATOM 725 NZ LYS A 48 6.933 -3.082 -8.959 1.00 0.00 N ATOM 0 H LYS A 48 12.111 -6.973 -6.011 1.00 0.00 H new ATOM 0 HA LYS A 48 11.159 -5.507 -8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.254 -7.142 -7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.100 -6.138 -6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.017 -4.106 -7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.805 -5.277 -9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.854 -6.257 -7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.977 -4.808 -6.744 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.352 -4.979 -9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.311 -4.364 -8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.237 -2.365 -8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.787 -2.990 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.182 -2.941 -9.959 1.00 0.00 H new ATOM 739 N GLN A 49 10.725 -4.719 -5.200 1.00 0.00 N ATOM 740 CA GLN A 49 11.024 -3.680 -4.176 1.00 0.00 C ATOM 741 C GLN A 49 11.094 -4.376 -2.809 1.00 0.00 C ATOM 742 O GLN A 49 10.357 -5.310 -2.545 1.00 0.00 O ATOM 743 CB GLN A 49 9.915 -2.599 -4.185 1.00 0.00 C ATOM 744 CG GLN A 49 9.143 -2.645 -5.507 1.00 0.00 C ATOM 745 CD GLN A 49 8.117 -1.511 -5.537 1.00 0.00 C ATOM 746 OE1 GLN A 49 8.146 -0.628 -4.703 1.00 0.00 O ATOM 747 NE2 GLN A 49 7.205 -1.497 -6.470 1.00 0.00 N ATOM 0 H GLN A 49 10.059 -5.432 -4.902 1.00 0.00 H new ATOM 0 HA GLN A 49 11.972 -3.187 -4.390 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.232 -2.761 -3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.357 -1.612 -4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.832 -2.549 -6.346 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.641 -3.607 -5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.180 -2.238 -7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.517 -0.745 -6.499 1.00 0.00 H new ATOM 756 N VAL A 50 11.982 -3.944 -1.944 1.00 0.00 N ATOM 757 CA VAL A 50 12.103 -4.592 -0.597 1.00 0.00 C ATOM 758 C VAL A 50 12.074 -3.506 0.471 1.00 0.00 C ATOM 759 O VAL A 50 12.823 -2.557 0.415 1.00 0.00 O ATOM 760 CB VAL A 50 13.436 -5.362 -0.509 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.327 -6.449 0.567 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.768 -5.992 -1.873 1.00 0.00 C ATOM 0 H VAL A 50 12.627 -3.172 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 50 11.278 -5.288 -0.446 1.00 0.00 H new ATOM 0 HB VAL A 50 14.237 -4.673 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.269 -6.994 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.110 -5.987 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.525 -7.140 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.711 -6.534 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.973 -6.681 -2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.855 -5.207 -2.625 1.00 0.00 H new ATOM 772 N CYS A 51 11.222 -3.643 1.442 1.00 0.00 N ATOM 773 CA CYS A 51 11.142 -2.611 2.509 1.00 0.00 C ATOM 774 C CYS A 51 12.375 -2.714 3.405 1.00 0.00 C ATOM 775 O CYS A 51 12.950 -3.772 3.568 1.00 0.00 O ATOM 776 CB CYS A 51 9.881 -2.845 3.341 1.00 0.00 C ATOM 777 SG CYS A 51 8.417 -2.568 2.311 1.00 0.00 S ATOM 0 H CYS A 51 10.576 -4.426 1.544 1.00 0.00 H new ATOM 0 HA CYS A 51 11.103 -1.618 2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.875 -3.862 3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.868 -2.172 4.198 1.00 0.00 H new ATOM 782 N ALA A 52 12.796 -1.616 3.976 1.00 0.00 N ATOM 783 CA ALA A 52 14.006 -1.637 4.852 1.00 0.00 C ATOM 784 C ALA A 52 13.811 -0.671 6.023 1.00 0.00 C ATOM 785 O ALA A 52 13.354 0.445 5.854 1.00 0.00 O ATOM 786 CB ALA A 52 15.223 -1.194 4.037 1.00 0.00 C ATOM 0 H ALA A 52 12.353 -0.703 3.873 1.00 0.00 H new ATOM 0 HA ALA A 52 14.159 -2.646 5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.110 -1.207 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.367 -1.875 3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.061 -0.184 3.661 1.00 0.00 H new ATOM 792 N ASP A 53 14.157 -1.093 7.209 1.00 0.00 N ATOM 793 CA ASP A 53 13.999 -0.206 8.398 1.00 0.00 C ATOM 794 C ASP A 53 15.005 0.969 8.300 1.00 0.00 C ATOM 795 O ASP A 53 16.195 0.724 8.311 1.00 0.00 O ATOM 796 CB ASP A 53 14.308 -1.016 9.660 1.00 0.00 C ATOM 797 CG ASP A 53 13.882 -0.219 10.894 1.00 0.00 C ATOM 798 OD1 ASP A 53 13.887 0.999 10.820 1.00 0.00 O ATOM 799 OD2 ASP A 53 13.559 -0.839 11.893 1.00 0.00 O ATOM 0 H ASP A 53 14.543 -2.016 7.407 1.00 0.00 H new ATOM 0 HA ASP A 53 12.981 0.183 8.436 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.782 -1.970 9.631 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.373 -1.241 9.709 1.00 0.00 H new ATOM 804 N PRO A 54 14.540 2.212 8.206 1.00 0.00 N ATOM 805 CA PRO A 54 15.470 3.359 8.111 1.00 0.00 C ATOM 806 C PRO A 54 16.336 3.447 9.376 1.00 0.00 C ATOM 807 O PRO A 54 17.251 4.243 9.459 1.00 0.00 O ATOM 808 CB PRO A 54 14.564 4.605 7.978 1.00 0.00 C ATOM 809 CG PRO A 54 13.087 4.122 8.035 1.00 0.00 C ATOM 810 CD PRO A 54 13.104 2.583 8.183 1.00 0.00 C ATOM 0 HA PRO A 54 16.154 3.266 7.267 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.766 5.313 8.782 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.761 5.123 7.040 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.566 4.582 8.875 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.553 4.414 7.130 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.601 2.270 9.098 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.586 2.102 7.354 1.00 0.00 H new ATOM 818 N SER A 55 16.044 2.650 10.362 1.00 0.00 N ATOM 819 CA SER A 55 16.839 2.704 11.621 1.00 0.00 C ATOM 820 C SER A 55 18.196 2.032 11.406 1.00 0.00 C ATOM 821 O SER A 55 19.128 2.245 12.156 1.00 0.00 O ATOM 822 CB SER A 55 16.082 1.977 12.732 1.00 0.00 C ATOM 823 OG SER A 55 14.848 2.642 12.973 1.00 0.00 O ATOM 0 H SER A 55 15.290 1.963 10.353 1.00 0.00 H new ATOM 0 HA SER A 55 16.994 3.745 11.904 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.900 0.941 12.446 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.681 1.956 13.642 1.00 0.00 H new ATOM 0 HG SER A 55 14.174 2.322 12.337 1.00 0.00 H new ATOM 829 N GLU A 56 18.322 1.227 10.386 1.00 0.00 N ATOM 830 CA GLU A 56 19.627 0.553 10.129 1.00 0.00 C ATOM 831 C GLU A 56 20.554 1.516 9.377 1.00 0.00 C ATOM 832 O GLU A 56 20.267 1.953 8.279 1.00 0.00 O ATOM 833 CB GLU A 56 19.397 -0.707 9.298 1.00 0.00 C ATOM 834 CG GLU A 56 18.858 -1.826 10.193 1.00 0.00 C ATOM 835 CD GLU A 56 18.642 -3.089 9.357 1.00 0.00 C ATOM 836 OE1 GLU A 56 17.788 -3.061 8.485 1.00 0.00 O ATOM 837 OE2 GLU A 56 19.333 -4.064 9.603 1.00 0.00 O ATOM 0 H GLU A 56 17.580 1.007 9.721 1.00 0.00 H new ATOM 0 HA GLU A 56 20.090 0.273 11.076 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.691 -0.500 8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.330 -1.021 8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.559 -2.028 11.002 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.920 -1.517 10.654 1.00 0.00 H new ATOM 844 N SER A 57 21.654 1.856 9.980 1.00 0.00 N ATOM 845 CA SER A 57 22.617 2.800 9.346 1.00 0.00 C ATOM 846 C SER A 57 22.966 2.375 7.916 1.00 0.00 C ATOM 847 O SER A 57 23.130 3.206 7.045 1.00 0.00 O ATOM 848 CB SER A 57 23.896 2.847 10.182 1.00 0.00 C ATOM 849 OG SER A 57 24.389 1.526 10.359 1.00 0.00 O ATOM 0 H SER A 57 21.933 1.516 10.900 1.00 0.00 H new ATOM 0 HA SER A 57 22.150 3.784 9.302 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.646 3.464 9.687 1.00 0.00 H new ATOM 0 HB3 SER A 57 23.695 3.305 11.150 1.00 0.00 H new ATOM 0 HG SER A 57 25.210 1.552 10.893 1.00 0.00 H new ATOM 855 N TRP A 58 23.109 1.103 7.658 1.00 0.00 N ATOM 856 CA TRP A 58 23.477 0.681 6.278 1.00 0.00 C ATOM 857 C TRP A 58 22.390 1.122 5.301 1.00 0.00 C ATOM 858 O TRP A 58 22.655 1.400 4.150 1.00 0.00 O ATOM 859 CB TRP A 58 23.710 -0.837 6.220 1.00 0.00 C ATOM 860 CG TRP A 58 22.419 -1.598 6.157 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.873 -2.277 7.191 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.529 -1.803 5.018 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.702 -2.880 6.766 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.442 -2.616 5.439 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.551 -1.364 3.674 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.414 -2.982 4.558 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.518 -1.730 2.784 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.452 -2.537 3.227 1.00 0.00 C ATOM 0 H TRP A 58 22.989 0.348 8.333 1.00 0.00 H new ATOM 0 HA TRP A 58 24.412 1.162 5.990 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.317 -1.078 5.347 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.275 -1.152 7.098 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.284 -2.339 8.188 1.00 0.00 H new ATOM 0 HE1 TRP A 58 20.104 -3.451 7.363 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.364 -0.744 3.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.599 -3.602 4.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.545 -1.390 1.759 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.664 -2.814 2.543 1.00 0.00 H new ATOM 879 N VAL A 59 21.174 1.214 5.752 1.00 0.00 N ATOM 880 CA VAL A 59 20.089 1.660 4.841 1.00 0.00 C ATOM 881 C VAL A 59 20.334 3.119 4.478 1.00 0.00 C ATOM 882 O VAL A 59 20.248 3.508 3.331 1.00 0.00 O ATOM 883 CB VAL A 59 18.744 1.514 5.549 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.623 2.053 4.655 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.509 0.034 5.842 1.00 0.00 C ATOM 0 H VAL A 59 20.885 1.001 6.707 1.00 0.00 H new ATOM 0 HA VAL A 59 20.078 1.053 3.935 1.00 0.00 H new ATOM 0 HB VAL A 59 18.749 2.082 6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.666 1.946 5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.804 3.106 4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.600 1.491 3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.552 -0.089 6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.499 -0.525 4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.308 -0.342 6.481 1.00 0.00 H new ATOM 895 N GLN A 60 20.657 3.926 5.445 1.00 0.00 N ATOM 896 CA GLN A 60 20.929 5.360 5.147 1.00 0.00 C ATOM 897 C GLN A 60 22.176 5.465 4.263 1.00 0.00 C ATOM 898 O GLN A 60 22.274 6.322 3.408 1.00 0.00 O ATOM 899 CB GLN A 60 21.162 6.119 6.455 1.00 0.00 C ATOM 900 CG GLN A 60 21.170 7.623 6.179 1.00 0.00 C ATOM 901 CD GLN A 60 19.745 8.097 5.889 1.00 0.00 C ATOM 902 OE1 GLN A 60 18.946 8.246 6.793 1.00 0.00 O ATOM 903 NE2 GLN A 60 19.389 8.342 4.658 1.00 0.00 N ATOM 0 H GLN A 60 20.745 3.659 6.425 1.00 0.00 H new ATOM 0 HA GLN A 60 20.075 5.794 4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.380 5.875 7.174 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.110 5.815 6.900 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.575 8.159 7.038 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.818 7.844 5.331 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.059 8.217 3.899 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.441 8.658 4.455 1.00 0.00 H new ATOM 912 N GLU A 61 23.130 4.598 4.470 1.00 0.00 N ATOM 913 CA GLU A 61 24.379 4.640 3.653 1.00 0.00 C ATOM 914 C GLU A 61 24.065 4.313 2.191 1.00 0.00 C ATOM 915 O GLU A 61 24.471 5.016 1.287 1.00 0.00 O ATOM 916 CB GLU A 61 25.377 3.618 4.198 1.00 0.00 C ATOM 917 CG GLU A 61 26.723 3.790 3.491 1.00 0.00 C ATOM 918 CD GLU A 61 27.741 2.816 4.085 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.567 2.432 5.229 1.00 0.00 O ATOM 920 OE2 GLU A 61 28.679 2.470 3.384 1.00 0.00 O ATOM 0 H GLU A 61 23.099 3.859 5.172 1.00 0.00 H new ATOM 0 HA GLU A 61 24.807 5.641 3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.499 3.751 5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 61 25.000 2.607 4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.610 3.607 2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 61 27.076 4.815 3.604 1.00 0.00 H new ATOM 927 N TYR A 62 23.354 3.247 1.951 1.00 0.00 N ATOM 928 CA TYR A 62 23.022 2.869 0.546 1.00 0.00 C ATOM 929 C TYR A 62 22.198 3.986 -0.104 1.00 0.00 C ATOM 930 O TYR A 62 22.327 4.257 -1.281 1.00 0.00 O ATOM 931 CB TYR A 62 22.213 1.562 0.537 1.00 0.00 C ATOM 932 CG TYR A 62 23.136 0.357 0.645 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.090 0.273 1.681 1.00 0.00 C ATOM 934 CD2 TYR A 62 23.029 -0.690 -0.295 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.933 -0.854 1.773 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.872 -1.812 -0.201 1.00 0.00 C ATOM 937 CZ TYR A 62 24.823 -1.894 0.832 1.00 0.00 C ATOM 938 OH TYR A 62 25.648 -2.997 0.923 1.00 0.00 O ATOM 0 H TYR A 62 22.987 2.620 2.667 1.00 0.00 H new ATOM 0 HA TYR A 62 23.945 2.724 -0.015 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.506 1.560 1.367 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.628 1.497 -0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.175 1.071 2.403 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.298 -0.630 -1.088 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.663 -0.919 2.566 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.789 -2.611 -0.923 1.00 0.00 H new ATOM 0 HH TYR A 62 25.441 -3.621 0.197 1.00 0.00 H new ATOM 948 N VAL A 63 21.361 4.639 0.650 1.00 0.00 N ATOM 949 CA VAL A 63 20.545 5.735 0.069 1.00 0.00 C ATOM 950 C VAL A 63 21.481 6.858 -0.351 1.00 0.00 C ATOM 951 O VAL A 63 21.320 7.466 -1.388 1.00 0.00 O ATOM 952 CB VAL A 63 19.558 6.248 1.121 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.871 7.518 0.613 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.503 5.172 1.392 1.00 0.00 C ATOM 0 H VAL A 63 21.208 4.460 1.642 1.00 0.00 H new ATOM 0 HA VAL A 63 19.985 5.374 -0.794 1.00 0.00 H new ATOM 0 HB VAL A 63 20.097 6.475 2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 63 18.170 7.878 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.621 8.285 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.332 7.297 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.798 5.534 2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.968 4.946 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.990 4.269 1.759 1.00 0.00 H new ATOM 964 N TYR A 64 22.464 7.130 0.454 1.00 0.00 N ATOM 965 CA TYR A 64 23.421 8.209 0.115 1.00 0.00 C ATOM 966 C TYR A 64 24.141 7.848 -1.181 1.00 0.00 C ATOM 967 O TYR A 64 24.317 8.666 -2.061 1.00 0.00 O ATOM 968 CB TYR A 64 24.443 8.352 1.246 1.00 0.00 C ATOM 969 CG TYR A 64 25.145 9.687 1.135 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.472 10.869 1.501 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.472 9.750 0.666 1.00 0.00 C ATOM 972 CE1 TYR A 64 25.124 12.112 1.397 1.00 0.00 C ATOM 973 CE2 TYR A 64 27.124 10.994 0.562 1.00 0.00 C ATOM 974 CZ TYR A 64 26.450 12.175 0.928 1.00 0.00 C ATOM 975 OH TYR A 64 27.089 13.394 0.826 1.00 0.00 O ATOM 0 H TYR A 64 22.646 6.649 1.335 1.00 0.00 H new ATOM 0 HA TYR A 64 22.888 9.151 -0.013 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.944 8.272 2.212 1.00 0.00 H new ATOM 0 HB3 TYR A 64 25.171 7.542 1.195 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.455 10.821 1.862 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.989 8.844 0.386 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.607 13.018 1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 64 28.141 11.042 0.202 1.00 0.00 H new ATOM 0 HH TYR A 64 27.999 13.259 0.487 1.00 0.00 H new ATOM 985 N ASP A 65 24.554 6.621 -1.298 1.00 0.00 N ATOM 986 CA ASP A 65 25.266 6.182 -2.530 1.00 0.00 C ATOM 987 C ASP A 65 24.336 6.338 -3.736 1.00 0.00 C ATOM 988 O ASP A 65 24.765 6.647 -4.830 1.00 0.00 O ATOM 989 CB ASP A 65 25.669 4.711 -2.376 1.00 0.00 C ATOM 990 CG ASP A 65 26.930 4.607 -1.514 1.00 0.00 C ATOM 991 OD1 ASP A 65 26.794 4.588 -0.302 1.00 0.00 O ATOM 992 OD2 ASP A 65 28.008 4.549 -2.082 1.00 0.00 O ATOM 0 H ASP A 65 24.429 5.897 -0.590 1.00 0.00 H new ATOM 0 HA ASP A 65 26.157 6.791 -2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.856 4.148 -1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.850 4.269 -3.356 1.00 0.00 H new ATOM 997 N LEU A 66 23.067 6.125 -3.540 1.00 0.00 N ATOM 998 CA LEU A 66 22.099 6.257 -4.664 1.00 0.00 C ATOM 999 C LEU A 66 21.915 7.737 -5.014 1.00 0.00 C ATOM 1000 O LEU A 66 21.655 8.089 -6.147 1.00 0.00 O ATOM 1001 CB LEU A 66 20.758 5.649 -4.230 1.00 0.00 C ATOM 1002 CG LEU A 66 20.797 4.112 -4.377 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.733 3.479 -3.478 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.508 3.707 -5.833 1.00 0.00 C ATOM 0 H LEU A 66 22.655 5.863 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 66 22.473 5.733 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.547 5.917 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 66 19.951 6.059 -4.837 1.00 0.00 H new ATOM 0 HG LEU A 66 21.789 3.764 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.764 2.395 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.928 3.747 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.748 3.844 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.539 2.621 -5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.520 4.067 -6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.260 4.146 -6.489 1.00 0.00 H new ATOM 1016 N GLU A 67 22.054 8.603 -4.052 1.00 0.00 N ATOM 1017 CA GLU A 67 21.894 10.059 -4.332 1.00 0.00 C ATOM 1018 C GLU A 67 23.103 10.550 -5.123 1.00 0.00 C ATOM 1019 O GLU A 67 23.020 11.487 -5.892 1.00 0.00 O ATOM 1020 CB GLU A 67 21.810 10.825 -3.011 1.00 0.00 C ATOM 1021 CG GLU A 67 20.463 10.548 -2.352 1.00 0.00 C ATOM 1022 CD GLU A 67 20.306 11.430 -1.112 1.00 0.00 C ATOM 1023 OE1 GLU A 67 20.960 12.459 -1.055 1.00 0.00 O ATOM 1024 OE2 GLU A 67 19.535 11.063 -0.241 1.00 0.00 O ATOM 0 H GLU A 67 22.271 8.368 -3.084 1.00 0.00 H new ATOM 0 HA GLU A 67 20.983 10.225 -4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.621 10.521 -2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.928 11.894 -3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.655 10.746 -3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.393 9.496 -2.074 1.00 0.00 H new ATOM 1116 N SER B 5 10.638 -10.227 -3.608 1.00 0.00 N ATOM 1117 CA SER B 5 11.346 -9.996 -2.319 1.00 0.00 C ATOM 1118 C SER B 5 10.335 -9.654 -1.214 1.00 0.00 C ATOM 1119 O SER B 5 9.732 -10.526 -0.621 1.00 0.00 O ATOM 1120 CB SER B 5 12.307 -8.832 -2.521 1.00 0.00 C ATOM 1121 OG SER B 5 11.677 -7.875 -3.361 1.00 0.00 O ATOM 0 HA SER B 5 11.888 -10.893 -2.018 1.00 0.00 H new ATOM 0 HB2 SER B 5 12.567 -8.383 -1.562 1.00 0.00 H new ATOM 0 HB3 SER B 5 13.236 -9.180 -2.972 1.00 0.00 H new ATOM 0 HG SER B 5 10.923 -8.294 -3.826 1.00 0.00 H new ATOM 1127 N ASP B 6 10.150 -8.386 -0.930 1.00 0.00 N ATOM 1128 CA ASP B 6 9.183 -7.987 0.139 1.00 0.00 C ATOM 1129 C ASP B 6 8.712 -6.545 -0.109 1.00 0.00 C ATOM 1130 O ASP B 6 9.048 -5.657 0.648 1.00 0.00 O ATOM 1131 CB ASP B 6 9.872 -8.059 1.510 1.00 0.00 C ATOM 1132 CG ASP B 6 10.652 -9.370 1.625 1.00 0.00 C ATOM 1133 OD1 ASP B 6 10.033 -10.381 1.910 1.00 0.00 O ATOM 1134 OD2 ASP B 6 11.856 -9.339 1.425 1.00 0.00 O ATOM 0 H ASP B 6 10.627 -7.612 -1.393 1.00 0.00 H new ATOM 0 HA ASP B 6 8.329 -8.664 0.121 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.546 -7.211 1.634 1.00 0.00 H new ATOM 0 HB3 ASP B 6 9.129 -7.995 2.305 1.00 0.00 H new ATOM 1139 N PRO B 7 7.953 -6.343 -1.167 1.00 0.00 N ATOM 1140 CA PRO B 7 7.451 -4.997 -1.509 1.00 0.00 C ATOM 1141 C PRO B 7 6.504 -4.491 -0.398 1.00 0.00 C ATOM 1142 O PRO B 7 6.117 -5.256 0.463 1.00 0.00 O ATOM 1143 CB PRO B 7 6.704 -5.183 -2.853 1.00 0.00 C ATOM 1144 CG PRO B 7 6.766 -6.695 -3.221 1.00 0.00 C ATOM 1145 CD PRO B 7 7.542 -7.418 -2.097 1.00 0.00 C ATOM 0 HA PRO B 7 8.246 -4.256 -1.596 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.669 -4.853 -2.765 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.166 -4.579 -3.634 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.762 -7.107 -3.319 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.263 -6.835 -4.181 1.00 0.00 H new ATOM 0 HD2 PRO B 7 6.916 -8.156 -1.596 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.407 -7.950 -2.493 1.00 0.00 H new ATOM 1153 N PRO B 8 6.152 -3.220 -0.448 1.00 0.00 N ATOM 1154 CA PRO B 8 5.246 -2.628 0.558 1.00 0.00 C ATOM 1155 C PRO B 8 3.888 -3.345 0.529 1.00 0.00 C ATOM 1156 O PRO B 8 3.778 -4.470 0.084 1.00 0.00 O ATOM 1157 CB PRO B 8 5.109 -1.141 0.146 1.00 0.00 C ATOM 1158 CG PRO B 8 5.890 -0.953 -1.187 1.00 0.00 C ATOM 1159 CD PRO B 8 6.620 -2.280 -1.491 1.00 0.00 C ATOM 0 HA PRO B 8 5.625 -2.725 1.575 1.00 0.00 H new ATOM 0 HB2 PRO B 8 4.060 -0.874 0.017 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.511 -0.489 0.922 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.208 -0.697 -1.998 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.604 -0.134 -1.100 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.377 -2.645 -2.489 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.702 -2.154 -1.452 1.00 0.00 H new ATOM 1167 N THR B 9 2.853 -2.699 1.002 1.00 0.00 N ATOM 1168 CA THR B 9 1.506 -3.341 1.003 1.00 0.00 C ATOM 1169 C THR B 9 0.421 -2.265 1.012 1.00 0.00 C ATOM 1170 O THR B 9 0.415 -1.376 1.841 1.00 0.00 O ATOM 1171 CB THR B 9 1.363 -4.216 2.248 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.536 -4.998 2.412 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.150 -5.134 2.092 1.00 0.00 C ATOM 0 H THR B 9 2.883 -1.755 1.387 1.00 0.00 H new ATOM 0 HA THR B 9 1.398 -3.954 0.108 1.00 0.00 H new ATOM 0 HB THR B 9 1.224 -3.583 3.124 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.509 -5.450 3.281 1.00 0.00 H new ATOM 0 HG21 THR B 9 0.049 -5.758 2.980 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.749 -4.531 1.968 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.285 -5.769 1.216 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.498 -2.343 0.092 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.590 -1.335 0.033 1.00 0.00 C ATOM 1183 C ALA B 10 -2.529 -1.517 1.226 1.00 0.00 C ATOM 1184 O ALA B 10 -3.572 -2.130 1.116 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.377 -1.527 -1.262 1.00 0.00 C ATOM 0 H ALA B 10 -0.539 -3.066 -0.626 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.161 -0.333 0.063 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.180 -0.791 -1.312 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.711 -1.397 -2.115 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.803 -2.530 -1.284 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.171 -0.977 2.364 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.040 -1.099 3.578 1.00 0.00 C ATOM 1193 C CYS B 11 -3.658 0.267 3.879 1.00 0.00 C ATOM 1194 O CYS B 11 -3.003 1.287 3.789 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.190 -1.550 4.769 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.290 -3.060 4.332 1.00 0.00 S ATOM 0 H CYS B 11 -1.308 -0.453 2.506 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.827 -1.832 3.401 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.488 -0.764 5.047 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.826 -1.731 5.635 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.916 0.302 4.223 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.568 1.609 4.518 1.00 0.00 C ATOM 1203 C CYS B 12 -5.045 2.158 5.845 1.00 0.00 C ATOM 1204 O CYS B 12 -4.816 1.424 6.786 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.086 1.422 4.608 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.737 0.949 2.986 1.00 0.00 S ATOM 0 H CYS B 12 -5.519 -0.516 4.312 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.336 2.312 3.718 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.325 0.655 5.345 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.557 2.345 4.945 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.864 3.451 5.928 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.364 4.073 7.192 1.00 0.00 C ATOM 1213 C PHE B 13 -5.546 4.724 7.912 1.00 0.00 C ATOM 1214 O PHE B 13 -5.492 5.015 9.091 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.320 5.143 6.853 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.981 6.269 6.094 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.292 6.110 4.731 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.294 7.475 6.752 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.914 7.157 4.024 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.917 8.522 6.046 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.227 8.363 4.682 1.00 0.00 C ATOM 0 H PHE B 13 -5.042 4.108 5.168 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.908 3.316 7.830 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.865 5.524 7.767 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.519 4.708 6.255 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -4.054 5.185 4.227 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.056 7.596 7.798 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.151 7.036 2.977 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.157 9.446 6.551 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.705 9.166 4.140 1.00 0.00 H new ATOM 1231 N SER B 14 -6.616 4.948 7.201 1.00 0.00 N ATOM 1232 CA SER B 14 -7.819 5.574 7.815 1.00 0.00 C ATOM 1233 C SER B 14 -9.047 5.203 6.982 1.00 0.00 C ATOM 1234 O SER B 14 -9.050 4.215 6.275 1.00 0.00 O ATOM 1235 CB SER B 14 -7.653 7.094 7.835 1.00 0.00 C ATOM 1236 OG SER B 14 -7.824 7.601 6.518 1.00 0.00 O ATOM 0 H SER B 14 -6.709 4.722 6.211 1.00 0.00 H new ATOM 0 HA SER B 14 -7.942 5.216 8.837 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.384 7.543 8.508 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.666 7.359 8.214 1.00 0.00 H new ATOM 0 HG SER B 14 -6.951 7.849 6.147 1.00 0.00 H new ATOM 1242 N TYR B 15 -10.093 5.982 7.055 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.317 5.663 6.260 1.00 0.00 C ATOM 1244 C TYR B 15 -12.105 6.948 6.004 1.00 0.00 C ATOM 1245 O TYR B 15 -11.929 7.940 6.684 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.196 4.673 7.041 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.326 3.649 7.727 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -10.967 2.464 7.056 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -10.873 3.879 9.040 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.155 1.511 7.699 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.060 2.926 9.682 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.701 1.741 9.012 1.00 0.00 C ATOM 1253 OH TYR B 15 -8.905 0.806 9.641 1.00 0.00 O ATOM 0 H TYR B 15 -10.154 6.823 7.629 1.00 0.00 H new ATOM 0 HA TYR B 15 -11.025 5.217 5.309 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.795 5.208 7.778 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.892 4.178 6.364 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.314 2.287 6.049 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.149 4.787 9.555 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -9.880 0.602 7.185 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -9.712 3.104 10.689 1.00 0.00 H new ATOM 0 HH TYR B 15 -8.679 1.121 10.541 1.00 0.00 H new ATOM 1263 N THR B 16 -12.981 6.938 5.037 1.00 0.00 N ATOM 1264 CA THR B 16 -13.779 8.166 4.760 1.00 0.00 C ATOM 1265 C THR B 16 -14.583 8.519 6.016 1.00 0.00 C ATOM 1266 O THR B 16 -14.271 8.071 7.101 1.00 0.00 O ATOM 1267 CB THR B 16 -14.715 7.921 3.567 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.603 9.018 3.419 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.519 6.638 3.783 1.00 0.00 C ATOM 0 H THR B 16 -13.178 6.141 4.432 1.00 0.00 H new ATOM 0 HA THR B 16 -13.119 8.996 4.508 1.00 0.00 H new ATOM 0 HB THR B 16 -14.113 7.817 2.664 1.00 0.00 H new ATOM 0 HG1 THR B 16 -15.089 9.851 3.377 1.00 0.00 H new ATOM 0 HG21 THR B 16 -16.179 6.474 2.931 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.837 5.793 3.881 1.00 0.00 H new ATOM 0 HG23 THR B 16 -16.115 6.731 4.691 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.609 9.317 5.887 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.424 9.696 7.082 1.00 0.00 C ATOM 1279 C ALA B 17 -17.893 9.791 6.674 1.00 0.00 C ATOM 1280 O ALA B 17 -18.733 10.233 7.433 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.952 11.054 7.604 1.00 0.00 C ATOM 0 H ALA B 17 -15.920 9.724 5.005 1.00 0.00 H new ATOM 0 HA ALA B 17 -16.308 8.945 7.863 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.544 11.334 8.475 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.901 10.991 7.884 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -16.075 11.806 6.825 1.00 0.00 H new ATOM 1287 N ARG B 18 -18.209 9.374 5.477 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.622 9.430 4.999 1.00 0.00 C ATOM 1289 C ARG B 18 -19.915 8.189 4.152 1.00 0.00 C ATOM 1290 O ARG B 18 -19.141 7.817 3.292 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.816 10.690 4.149 1.00 0.00 C ATOM 1292 CG ARG B 18 -19.997 11.904 5.063 1.00 0.00 C ATOM 1293 CD ARG B 18 -19.831 13.184 4.248 1.00 0.00 C ATOM 1294 NE ARG B 18 -20.336 14.345 5.034 1.00 0.00 N ATOM 1295 CZ ARG B 18 -20.026 15.560 4.675 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -19.273 15.760 3.628 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -20.470 16.577 5.363 1.00 0.00 N ATOM 0 H ARG B 18 -17.543 8.994 4.804 1.00 0.00 H new ATOM 0 HA ARG B 18 -20.302 9.458 5.851 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.954 10.838 3.498 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.687 10.575 3.504 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -20.984 11.880 5.526 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -19.265 11.877 5.871 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -18.781 13.332 3.994 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -20.377 13.103 3.308 1.00 0.00 H new ATOM 0 HE ARG B 18 -20.924 14.189 5.853 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -18.926 14.966 3.090 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -19.031 16.710 3.348 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -21.059 16.421 6.181 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -20.228 17.527 5.083 1.00 0.00 H new ATOM 1311 N LYS B 19 -21.027 7.549 4.382 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.365 6.339 3.583 1.00 0.00 C ATOM 1313 C LYS B 19 -21.550 6.748 2.117 1.00 0.00 C ATOM 1314 O LYS B 19 -22.259 7.684 1.806 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.656 5.710 4.134 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.302 4.801 3.079 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.341 3.894 3.743 1.00 0.00 C ATOM 1318 CE LYS B 19 -25.472 4.734 4.337 1.00 0.00 C ATOM 1319 NZ LYS B 19 -25.908 5.764 3.353 1.00 0.00 N ATOM 0 H LYS B 19 -21.715 7.811 5.088 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.562 5.605 3.650 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.433 5.134 5.032 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.355 6.494 4.424 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.775 5.406 2.305 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.538 4.197 2.589 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -24.744 3.194 3.011 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -23.869 3.300 4.526 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -26.313 4.093 4.602 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -25.136 5.215 5.256 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -26.881 6.060 3.569 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -25.275 6.587 3.409 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.873 5.364 2.393 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.916 6.048 1.217 1.00 0.00 N ATOM 1334 CA LEU B 20 -21.052 6.390 -0.224 1.00 0.00 C ATOM 1335 C LEU B 20 -22.439 5.931 -0.732 1.00 0.00 C ATOM 1336 O LEU B 20 -22.760 4.768 -0.589 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.978 5.642 -1.016 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.620 5.781 -0.326 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.542 5.177 -1.225 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.309 7.261 -0.079 1.00 0.00 C ATOM 0 H LEU B 20 -20.309 5.253 1.419 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.943 7.467 -0.354 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.245 4.589 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.921 6.038 -2.030 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.642 5.259 0.630 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.570 5.272 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.761 4.123 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.526 5.705 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.340 7.352 0.413 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.284 7.791 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -19.081 7.694 0.557 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.231 6.813 -1.326 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.549 6.400 -1.842 1.00 0.00 C ATOM 1354 C PRO B 21 -24.376 5.232 -2.816 1.00 0.00 C ATOM 1355 O PRO B 21 -23.421 5.177 -3.562 1.00 0.00 O ATOM 1356 CB PRO B 21 -25.104 7.646 -2.570 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.139 8.827 -2.266 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.911 8.245 -1.532 1.00 0.00 C ATOM 0 HA PRO B 21 -25.223 6.064 -1.054 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.167 7.468 -3.643 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -26.112 7.875 -2.225 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -23.835 9.321 -3.189 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.634 9.578 -1.650 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -22.004 8.366 -2.124 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.742 8.752 -0.582 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.299 4.311 -2.832 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.180 3.172 -3.783 1.00 0.00 C ATOM 1368 C ARG B 22 -24.924 3.732 -5.183 1.00 0.00 C ATOM 1369 O ARG B 22 -24.237 3.137 -5.990 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.475 2.363 -3.783 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.289 1.113 -4.651 1.00 0.00 C ATOM 1372 CD ARG B 22 -27.543 0.234 -4.576 1.00 0.00 C ATOM 1373 NE ARG B 22 -27.178 -1.192 -4.860 1.00 0.00 N ATOM 1374 CZ ARG B 22 -26.505 -1.522 -5.932 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -26.302 -0.651 -6.881 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -26.087 -2.750 -6.080 1.00 0.00 N ATOM 0 H ARG B 22 -26.124 4.297 -2.233 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.358 2.522 -3.484 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.739 2.077 -2.765 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.296 2.968 -4.167 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -26.098 1.402 -5.684 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -25.419 0.550 -4.312 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -27.996 0.314 -3.588 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -28.285 0.580 -5.296 1.00 0.00 H new ATOM 0 HE ARG B 22 -27.460 -1.920 -4.204 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -26.669 0.296 -6.791 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -25.776 -0.917 -7.713 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -26.286 -3.446 -5.362 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -25.562 -3.013 -6.914 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.474 4.882 -5.470 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.269 5.500 -6.811 1.00 0.00 C ATOM 1392 C ASN B 23 -23.837 6.030 -6.919 1.00 0.00 C ATOM 1393 O ASN B 23 -23.520 6.808 -7.797 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.255 6.656 -6.993 1.00 0.00 C ATOM 1395 CG ASN B 23 -26.164 7.185 -8.425 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -25.668 6.509 -9.305 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -26.625 8.375 -8.699 1.00 0.00 N ATOM 0 H ASN B 23 -26.058 5.421 -4.831 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.436 4.751 -7.585 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -27.270 6.319 -6.783 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -26.031 7.454 -6.285 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -26.569 8.737 -9.651 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -27.041 8.943 -7.961 1.00 0.00 H new ATOM 1404 N PHE B 24 -22.971 5.623 -6.026 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.555 6.108 -6.064 1.00 0.00 C ATOM 1406 C PHE B 24 -20.621 4.937 -5.742 1.00 0.00 C ATOM 1407 O PHE B 24 -19.537 5.116 -5.223 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.384 7.219 -5.012 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.195 8.095 -5.346 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.181 8.831 -6.547 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.107 8.187 -4.453 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.084 9.655 -6.856 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -18.009 9.011 -4.764 1.00 0.00 C ATOM 1414 CZ PHE B 24 -17.997 9.745 -5.965 1.00 0.00 C ATOM 0 H PHE B 24 -23.183 4.973 -5.269 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.313 6.502 -7.051 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.288 7.826 -4.967 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.249 6.775 -4.026 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -21.014 8.762 -7.231 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.116 7.625 -3.531 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.075 10.219 -7.777 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.175 9.080 -4.081 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.154 10.377 -6.203 1.00 0.00 H new ATOM 1424 N VAL B 25 -21.039 3.737 -6.052 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.189 2.541 -5.773 1.00 0.00 C ATOM 1426 C VAL B 25 -20.479 1.471 -6.828 1.00 0.00 C ATOM 1427 O VAL B 25 -21.354 0.645 -6.664 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.521 1.985 -4.386 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.591 0.815 -4.067 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.332 3.080 -3.335 1.00 0.00 C ATOM 0 H VAL B 25 -21.938 3.533 -6.489 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.137 2.823 -5.805 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.556 1.643 -4.375 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.829 0.420 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.724 0.031 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.557 1.158 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.569 2.682 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.298 3.423 -3.349 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -20.995 3.916 -3.558 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.755 1.485 -7.914 1.00 0.00 N ATOM 1441 CA VAL B 26 -19.990 0.479 -8.985 1.00 0.00 C ATOM 1442 C VAL B 26 -19.216 -0.801 -8.674 1.00 0.00 C ATOM 1443 O VAL B 26 -19.427 -1.828 -9.288 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.518 1.049 -10.322 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.399 2.237 -10.708 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.064 1.516 -10.198 1.00 0.00 C ATOM 0 H VAL B 26 -19.008 2.153 -8.105 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.054 0.248 -9.038 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.587 0.277 -11.088 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -20.063 2.644 -11.662 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.434 1.908 -10.798 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.329 3.007 -9.940 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -17.730 1.922 -11.153 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -17.994 2.287 -9.431 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.433 0.671 -9.922 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.319 -0.753 -7.729 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.540 -1.977 -7.395 1.00 0.00 C ATOM 1458 C ASP B 27 -16.745 -1.737 -6.116 1.00 0.00 C ATOM 1459 O ASP B 27 -16.917 -0.737 -5.447 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.579 -2.296 -8.543 1.00 0.00 C ATOM 1461 CG ASP B 27 -16.012 -3.705 -8.359 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.777 -4.649 -8.472 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -14.823 -3.815 -8.109 1.00 0.00 O ATOM 0 H ASP B 27 -18.093 0.075 -7.177 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.221 -2.816 -7.248 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.100 -2.224 -9.498 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.769 -1.567 -8.566 1.00 0.00 H new ATOM 1468 N TYR B 28 -15.872 -2.642 -5.767 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.067 -2.453 -4.529 1.00 0.00 C ATOM 1470 C TYR B 28 -13.770 -3.253 -4.621 1.00 0.00 C ATOM 1471 O TYR B 28 -13.461 -3.858 -5.628 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.874 -2.895 -3.301 1.00 0.00 C ATOM 1473 CG TYR B 28 -15.973 -4.407 -3.237 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.648 -5.116 -4.250 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.400 -5.104 -2.154 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.747 -6.518 -4.182 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.499 -6.505 -2.084 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.173 -7.214 -3.098 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.271 -8.589 -3.031 1.00 0.00 O ATOM 0 H TYR B 28 -15.682 -3.501 -6.284 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.823 -1.396 -4.426 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.400 -2.518 -2.394 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.873 -2.462 -3.342 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.090 -4.583 -5.079 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.884 -4.561 -1.376 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.263 -7.061 -4.960 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.059 -7.037 -1.254 1.00 0.00 H new ATOM 0 HH TYR B 28 -15.821 -8.910 -2.222 1.00 0.00 H new ATOM 1489 N TYR B 29 -13.008 -3.239 -3.571 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.715 -3.967 -3.560 1.00 0.00 C ATOM 1491 C TYR B 29 -11.285 -4.156 -2.099 1.00 0.00 C ATOM 1492 O TYR B 29 -11.468 -3.279 -1.284 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.685 -3.128 -4.336 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.278 -3.545 -3.981 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.764 -4.758 -4.467 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.485 -2.718 -3.162 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.453 -5.150 -4.134 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.174 -3.108 -2.828 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.657 -4.324 -3.314 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.373 -4.708 -2.987 1.00 0.00 O ATOM 0 H TYR B 29 -13.229 -2.746 -2.706 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.799 -4.946 -4.032 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -10.845 -3.247 -5.408 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.824 -2.071 -4.109 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.374 -5.390 -5.096 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.882 -1.785 -2.790 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.057 -6.083 -4.507 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.565 -2.475 -2.199 1.00 0.00 H new ATOM 0 HH TYR B 29 -4.963 -4.025 -2.416 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.725 -5.287 -1.757 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.294 -5.515 -0.339 1.00 0.00 C ATOM 1512 C GLU B 30 -8.791 -5.244 -0.205 1.00 0.00 C ATOM 1513 O GLU B 30 -8.050 -5.303 -1.166 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.591 -6.963 0.056 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.091 -7.130 0.308 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.415 -8.614 0.492 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -11.577 -9.431 0.147 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.496 -8.907 0.976 1.00 0.00 O ATOM 0 H GLU B 30 -10.546 -6.063 -2.394 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.840 -4.839 0.318 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.267 -7.640 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.030 -7.228 0.952 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.386 -6.570 1.195 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.659 -6.724 -0.529 1.00 0.00 H new ATOM 1525 N THR B 31 -8.342 -4.937 0.982 1.00 0.00 N ATOM 1526 CA THR B 31 -6.890 -4.646 1.196 1.00 0.00 C ATOM 1527 C THR B 31 -6.073 -5.939 1.159 1.00 0.00 C ATOM 1528 O THR B 31 -6.533 -6.973 0.717 1.00 0.00 O ATOM 1529 CB THR B 31 -6.711 -3.983 2.562 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.406 -4.743 3.534 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.271 -2.561 2.508 1.00 0.00 C ATOM 0 H THR B 31 -8.921 -4.874 1.820 1.00 0.00 H new ATOM 0 HA THR B 31 -6.541 -3.984 0.403 1.00 0.00 H new ATOM 0 HB THR B 31 -5.654 -3.939 2.825 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.477 -5.673 3.233 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.146 -2.084 3.480 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.736 -1.988 1.751 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.331 -2.597 2.255 1.00 0.00 H new ATOM 1539 N SER B 32 -4.855 -5.876 1.628 1.00 0.00 N ATOM 1540 CA SER B 32 -3.978 -7.080 1.638 1.00 0.00 C ATOM 1541 C SER B 32 -4.223 -7.887 2.911 1.00 0.00 C ATOM 1542 O SER B 32 -5.337 -8.015 3.379 1.00 0.00 O ATOM 1543 CB SER B 32 -2.518 -6.633 1.605 1.00 0.00 C ATOM 1544 OG SER B 32 -2.322 -5.748 0.510 1.00 0.00 O ATOM 0 H SER B 32 -4.427 -5.032 2.008 1.00 0.00 H new ATOM 0 HA SER B 32 -4.201 -7.698 0.768 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.256 -6.137 2.540 1.00 0.00 H new ATOM 0 HB3 SER B 32 -1.863 -7.499 1.509 1.00 0.00 H new ATOM 0 HG SER B 32 -1.544 -6.039 -0.010 1.00 0.00 H new ATOM 1550 N SER B 33 -3.180 -8.435 3.471 1.00 0.00 N ATOM 1551 CA SER B 33 -3.320 -9.246 4.718 1.00 0.00 C ATOM 1552 C SER B 33 -2.079 -9.047 5.583 1.00 0.00 C ATOM 1553 O SER B 33 -2.151 -9.006 6.795 1.00 0.00 O ATOM 1554 CB SER B 33 -3.431 -10.719 4.343 1.00 0.00 C ATOM 1555 OG SER B 33 -2.130 -11.239 4.099 1.00 0.00 O ATOM 0 H SER B 33 -2.227 -8.356 3.116 1.00 0.00 H new ATOM 0 HA SER B 33 -4.209 -8.933 5.266 1.00 0.00 H new ATOM 0 HB2 SER B 33 -3.913 -11.276 5.146 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.054 -10.835 3.456 1.00 0.00 H new ATOM 0 HG SER B 33 -2.196 -12.187 3.859 1.00 0.00 H new ATOM 1561 N LEU B 34 -0.940 -8.936 4.955 1.00 0.00 N ATOM 1562 CA LEU B 34 0.339 -8.746 5.704 1.00 0.00 C ATOM 1563 C LEU B 34 0.132 -7.783 6.874 1.00 0.00 C ATOM 1564 O LEU B 34 0.402 -8.104 8.014 1.00 0.00 O ATOM 1565 CB LEU B 34 1.398 -8.161 4.768 1.00 0.00 C ATOM 1566 CG LEU B 34 1.366 -8.880 3.419 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.545 -8.405 2.566 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.467 -10.394 3.639 1.00 0.00 C ATOM 0 H LEU B 34 -0.838 -8.969 3.941 1.00 0.00 H new ATOM 0 HA LEU B 34 0.666 -9.714 6.085 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.218 -7.095 4.625 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.386 -8.260 5.218 1.00 0.00 H new ATOM 0 HG LEU B 34 0.430 -8.654 2.907 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.526 -8.915 1.603 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.470 -7.329 2.408 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.480 -8.632 3.079 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.444 -10.904 2.676 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.401 -10.626 4.150 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.628 -10.730 4.248 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.340 -6.604 6.595 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.560 -5.618 7.687 1.00 0.00 C ATOM 1582 C CYS B 35 -1.717 -6.096 8.570 1.00 0.00 C ATOM 1583 O CYS B 35 -2.767 -6.463 8.091 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.881 -4.245 7.085 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.960 -4.443 5.645 1.00 0.00 S ATOM 0 H CYS B 35 -0.583 -6.279 5.659 1.00 0.00 H new ATOM 0 HA CYS B 35 0.341 -5.531 8.294 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.366 -3.615 7.831 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.041 -3.741 6.794 1.00 0.00 H new ATOM 1590 N SER B 36 -1.514 -6.122 9.857 1.00 0.00 N ATOM 1591 CA SER B 36 -2.584 -6.593 10.784 1.00 0.00 C ATOM 1592 C SER B 36 -3.791 -5.641 10.777 1.00 0.00 C ATOM 1593 O SER B 36 -4.458 -5.490 11.782 1.00 0.00 O ATOM 1594 CB SER B 36 -2.018 -6.674 12.202 1.00 0.00 C ATOM 1595 OG SER B 36 -0.928 -7.586 12.221 1.00 0.00 O ATOM 0 H SER B 36 -0.647 -5.835 10.311 1.00 0.00 H new ATOM 0 HA SER B 36 -2.920 -7.574 10.449 1.00 0.00 H new ATOM 0 HB2 SER B 36 -1.688 -5.689 12.531 1.00 0.00 H new ATOM 0 HB3 SER B 36 -2.792 -7.000 12.897 1.00 0.00 H new ATOM 0 HG SER B 36 -0.562 -7.639 13.128 1.00 0.00 H new ATOM 1601 N GLN B 37 -4.093 -4.991 9.679 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.268 -4.063 9.684 1.00 0.00 C ATOM 1603 C GLN B 37 -5.847 -3.893 8.271 1.00 0.00 C ATOM 1604 O GLN B 37 -5.808 -2.808 7.730 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.834 -2.693 10.221 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.534 -2.247 9.542 1.00 0.00 C ATOM 1607 CD GLN B 37 -3.076 -0.919 10.147 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -2.425 -0.897 11.173 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -3.389 0.199 9.550 1.00 0.00 N ATOM 0 H GLN B 37 -3.588 -5.060 8.795 1.00 0.00 H new ATOM 0 HA GLN B 37 -6.039 -4.492 10.324 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.618 -1.958 10.040 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.690 -2.746 11.300 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.762 -3.005 9.675 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.690 -2.136 8.469 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -3.935 0.182 8.689 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -3.087 1.090 9.945 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.395 -4.954 7.716 1.00 0.00 N ATOM 1619 CA PRO B 38 -7.007 -4.894 6.373 1.00 0.00 C ATOM 1620 C PRO B 38 -8.270 -4.022 6.440 1.00 0.00 C ATOM 1621 O PRO B 38 -8.631 -3.511 7.481 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.358 -6.363 6.034 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.082 -7.215 7.308 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.444 -6.284 8.364 1.00 0.00 C ATOM 0 HA PRO B 38 -6.353 -4.459 5.617 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.402 -6.448 5.734 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.756 -6.718 5.197 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.008 -7.647 7.688 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.415 -8.045 7.076 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -7.038 -6.257 9.278 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.447 -6.626 8.642 1.00 0.00 H new ATOM 1632 N ALA B 39 -8.938 -3.857 5.338 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.173 -3.035 5.316 1.00 0.00 C ATOM 1634 C ALA B 39 -10.851 -3.226 3.964 1.00 0.00 C ATOM 1635 O ALA B 39 -10.266 -3.769 3.047 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.813 -1.559 5.502 1.00 0.00 C ATOM 0 H ALA B 39 -8.677 -4.263 4.439 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.841 -3.341 6.121 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.722 -0.958 5.485 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.307 -1.426 6.458 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.153 -1.241 4.695 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.064 -2.767 3.813 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.753 -2.904 2.495 1.00 0.00 C ATOM 1644 C VAL B 40 -12.589 -1.582 1.754 1.00 0.00 C ATOM 1645 O VAL B 40 -12.591 -0.524 2.352 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.242 -3.208 2.706 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -15.017 -2.949 1.409 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.404 -4.677 3.093 1.00 0.00 C ATOM 0 H VAL B 40 -12.607 -2.304 4.542 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.321 -3.723 1.920 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.630 -2.565 3.496 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.073 -3.167 1.567 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.901 -1.905 1.118 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.628 -3.591 0.618 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.460 -4.899 3.244 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -14.011 -5.309 2.296 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.856 -4.873 4.015 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.428 -1.641 0.461 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.239 -0.394 -0.345 1.00 0.00 C ATOM 1660 C VAL B 41 -13.354 -0.283 -1.391 1.00 0.00 C ATOM 1661 O VAL B 41 -13.502 -1.130 -2.241 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.873 -0.459 -1.037 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.436 0.944 -1.453 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.840 -1.034 -0.063 1.00 0.00 C ATOM 0 H VAL B 41 -12.419 -2.506 -0.080 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.280 0.481 0.304 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.948 -1.094 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.464 0.892 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.169 1.364 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.362 1.579 -0.570 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.867 -1.082 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.773 -0.394 0.817 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.144 -2.036 0.240 1.00 0.00 H new ATOM 1674 N PHE B 42 -14.148 0.756 -1.335 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.258 0.902 -2.329 1.00 0.00 C ATOM 1676 C PHE B 42 -14.771 1.677 -3.557 1.00 0.00 C ATOM 1677 O PHE B 42 -14.113 2.691 -3.444 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.421 1.673 -1.690 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.190 0.772 -0.747 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.876 -0.353 -1.247 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.233 1.065 0.631 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.600 -1.184 -0.371 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.959 0.235 1.506 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.641 -0.890 1.005 1.00 0.00 C ATOM 0 H PHE B 42 -14.078 1.507 -0.648 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.587 -0.092 -2.633 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -16.039 2.538 -1.148 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -17.086 2.052 -2.466 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.846 -0.578 -2.303 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.708 1.927 1.016 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -19.124 -2.047 -0.755 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.993 0.461 2.561 1.00 0.00 H new ATOM 0 HZ PHE B 42 -19.196 -1.528 1.677 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.118 1.215 -4.731 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.712 1.923 -5.984 1.00 0.00 C ATOM 1696 C GLN B 43 -15.886 2.804 -6.422 1.00 0.00 C ATOM 1697 O GLN B 43 -16.990 2.321 -6.598 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.390 0.885 -7.061 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.140 0.101 -6.654 1.00 0.00 C ATOM 1700 CD GLN B 43 -13.018 -1.153 -7.521 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -12.580 -2.186 -7.056 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -13.390 -1.106 -8.771 1.00 0.00 N ATOM 0 H GLN B 43 -15.670 0.370 -4.877 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.828 2.539 -5.822 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.233 0.206 -7.190 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.228 1.378 -8.020 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.253 0.724 -6.771 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.199 -0.176 -5.601 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -13.758 -0.238 -9.161 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -13.313 -1.937 -9.358 1.00 0.00 H new ATOM 1711 N THR B 44 -15.678 4.101 -6.555 1.00 0.00 N ATOM 1712 CA THR B 44 -16.823 5.007 -6.924 1.00 0.00 C ATOM 1713 C THR B 44 -16.835 5.353 -8.414 1.00 0.00 C ATOM 1714 O THR B 44 -16.375 4.603 -9.252 1.00 0.00 O ATOM 1715 CB THR B 44 -16.716 6.307 -6.130 1.00 0.00 C ATOM 1716 OG1 THR B 44 -15.781 7.167 -6.764 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.247 6.001 -4.710 1.00 0.00 C ATOM 0 H THR B 44 -14.779 4.565 -6.426 1.00 0.00 H new ATOM 0 HA THR B 44 -17.744 4.474 -6.690 1.00 0.00 H new ATOM 0 HB THR B 44 -17.691 6.793 -6.091 1.00 0.00 H new ATOM 0 HG1 THR B 44 -16.117 8.087 -6.744 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.171 6.929 -4.144 1.00 0.00 H new ATOM 0 HG22 THR B 44 -16.964 5.338 -4.225 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.271 5.517 -4.746 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.394 6.500 -8.734 1.00 0.00 N ATOM 1726 CA LYS B 45 -17.499 6.952 -10.157 1.00 0.00 C ATOM 1727 C LYS B 45 -16.667 8.223 -10.376 1.00 0.00 C ATOM 1728 O LYS B 45 -16.137 8.444 -11.446 1.00 0.00 O ATOM 1729 CB LYS B 45 -18.962 7.271 -10.461 1.00 0.00 C ATOM 1730 CG LYS B 45 -19.843 6.094 -10.043 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.310 6.418 -10.352 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.121 5.123 -10.406 1.00 0.00 C ATOM 1733 NZ LYS B 45 -22.095 4.462 -9.071 1.00 0.00 N ATOM 0 H LYS B 45 -17.788 7.151 -8.055 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.128 6.163 -10.811 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.266 8.172 -9.929 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.087 7.472 -11.525 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -19.539 5.192 -10.574 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -19.720 5.894 -8.979 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -21.715 7.081 -9.588 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.384 6.945 -11.303 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -23.149 5.338 -10.697 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -21.709 4.455 -11.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -21.797 3.471 -9.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -21.424 4.959 -8.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -23.045 4.494 -8.649 1.00 0.00 H new ATOM 1747 N ARG B 46 -16.558 9.061 -9.369 1.00 0.00 N ATOM 1748 CA ARG B 46 -15.768 10.334 -9.502 1.00 0.00 C ATOM 1749 C ARG B 46 -14.643 10.304 -8.473 1.00 0.00 C ATOM 1750 O ARG B 46 -14.420 11.235 -7.729 1.00 0.00 O ATOM 1751 CB ARG B 46 -16.702 11.540 -9.259 1.00 0.00 C ATOM 1752 CG ARG B 46 -15.953 12.899 -9.296 1.00 0.00 C ATOM 1753 CD ARG B 46 -14.821 12.905 -10.334 1.00 0.00 C ATOM 1754 NE ARG B 46 -14.311 14.297 -10.495 1.00 0.00 N ATOM 1755 CZ ARG B 46 -13.169 14.509 -11.089 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -12.472 13.504 -11.544 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -12.723 15.727 -11.227 1.00 0.00 N ATOM 0 H ARG B 46 -16.985 8.918 -8.454 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.342 10.427 -10.501 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -17.488 11.543 -10.014 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.191 11.426 -8.291 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.660 13.696 -9.526 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -15.541 13.113 -8.310 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -14.015 12.244 -10.015 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -15.185 12.525 -11.289 1.00 0.00 H new ATOM 0 HE ARG B 46 -14.855 15.084 -10.141 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -12.820 12.551 -11.435 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -11.579 13.671 -12.008 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -13.267 16.513 -10.871 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -11.830 15.894 -11.691 1.00 0.00 H new ATOM 1771 N SER B 47 -13.925 9.228 -8.439 1.00 0.00 N ATOM 1772 CA SER B 47 -12.806 9.103 -7.489 1.00 0.00 C ATOM 1773 C SER B 47 -11.960 7.918 -7.926 1.00 0.00 C ATOM 1774 O SER B 47 -11.464 7.870 -9.034 1.00 0.00 O ATOM 1775 CB SER B 47 -13.350 8.891 -6.073 1.00 0.00 C ATOM 1776 OG SER B 47 -14.416 9.803 -5.841 1.00 0.00 O ATOM 0 H SER B 47 -14.071 8.417 -9.041 1.00 0.00 H new ATOM 0 HA SER B 47 -12.199 10.008 -7.480 1.00 0.00 H new ATOM 0 HB2 SER B 47 -13.700 7.866 -5.955 1.00 0.00 H new ATOM 0 HB3 SER B 47 -12.558 9.044 -5.340 1.00 0.00 H new ATOM 0 HG SER B 47 -14.196 10.671 -6.238 1.00 0.00 H new ATOM 1782 N LYS B 48 -11.807 6.958 -7.084 1.00 0.00 N ATOM 1783 CA LYS B 48 -11.019 5.765 -7.450 1.00 0.00 C ATOM 1784 C LYS B 48 -11.379 4.654 -6.474 1.00 0.00 C ATOM 1785 O LYS B 48 -12.177 3.786 -6.768 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.521 6.094 -7.381 1.00 0.00 C ATOM 1787 CG LYS B 48 -8.736 5.052 -8.173 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.248 5.159 -7.831 1.00 0.00 C ATOM 1789 CE LYS B 48 -6.431 4.374 -8.859 1.00 0.00 C ATOM 1790 NZ LYS B 48 -7.014 3.012 -9.021 1.00 0.00 N ATOM 0 H LYS B 48 -12.199 6.945 -6.142 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.243 5.446 -8.468 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.337 7.089 -7.786 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -9.187 6.105 -6.343 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.102 4.052 -7.940 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -8.885 5.205 -9.242 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -6.939 6.204 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -7.065 4.768 -6.830 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -6.430 4.897 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -5.393 4.301 -8.535 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -6.339 2.302 -8.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -7.897 2.946 -8.476 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -7.213 2.837 -10.027 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.816 4.702 -5.296 1.00 0.00 N ATOM 1805 CA GLN B 49 -11.119 3.678 -4.258 1.00 0.00 C ATOM 1806 C GLN B 49 -11.193 4.393 -2.902 1.00 0.00 C ATOM 1807 O GLN B 49 -10.456 5.330 -2.648 1.00 0.00 O ATOM 1808 CB GLN B 49 -10.009 2.597 -4.249 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.234 2.624 -5.570 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.208 1.489 -5.581 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -8.239 0.618 -4.734 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -7.293 1.462 -6.511 1.00 0.00 N ATOM 0 H GLN B 49 -10.150 5.418 -5.007 1.00 0.00 H new ATOM 0 HA GLN B 49 -12.067 3.182 -4.467 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -9.328 2.771 -3.416 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -10.451 1.612 -4.098 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -9.921 2.516 -6.409 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -8.732 3.584 -5.690 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -7.267 2.193 -7.222 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -6.604 0.710 -6.527 1.00 0.00 H new ATOM 1821 N VAL B 50 -12.083 3.973 -2.033 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.207 4.640 -0.696 1.00 0.00 C ATOM 1823 C VAL B 50 -12.181 3.569 0.387 1.00 0.00 C ATOM 1824 O VAL B 50 -12.930 2.619 0.343 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.541 5.412 -0.622 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.435 6.514 0.439 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.869 6.022 -1.996 1.00 0.00 C ATOM 0 H VAL B 50 -12.728 3.199 -2.191 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.382 5.338 -0.553 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.343 4.728 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.377 7.060 0.492 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.220 6.066 1.409 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.632 7.201 0.171 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.812 6.566 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -13.073 6.707 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.955 5.226 -2.736 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.332 3.719 1.359 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.255 2.702 2.441 1.00 0.00 C ATOM 1839 C CYS B 51 -12.490 2.818 3.331 1.00 0.00 C ATOM 1840 O CYS B 51 -13.066 3.879 3.478 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.996 2.948 3.272 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.530 2.657 2.251 1.00 0.00 S ATOM 0 H CYS B 51 -10.686 4.503 1.453 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.215 1.703 2.008 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.991 3.970 3.650 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.985 2.287 4.139 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.913 1.728 3.917 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.125 1.762 4.789 1.00 0.00 C ATOM 1849 C ALA B 52 -13.933 0.812 5.974 1.00 0.00 C ATOM 1850 O ALA B 52 -13.476 -0.305 5.822 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.340 1.307 3.977 1.00 0.00 C ATOM 0 H ALA B 52 -12.470 0.813 3.829 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.279 2.777 5.156 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.228 1.330 4.608 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.481 1.975 3.128 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.177 0.291 3.616 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.283 1.251 7.153 1.00 0.00 N ATOM 1858 CA ASP B 53 -14.128 0.381 8.355 1.00 0.00 C ATOM 1859 C ASP B 53 -15.134 -0.795 8.270 1.00 0.00 C ATOM 1860 O ASP B 53 -16.324 -0.550 8.275 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.441 1.208 9.604 1.00 0.00 C ATOM 1862 CG ASP B 53 -14.019 0.429 10.851 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -14.023 -0.790 10.794 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -13.698 1.064 11.842 1.00 0.00 O ATOM 0 H ASP B 53 -14.670 2.177 7.336 1.00 0.00 H new ATOM 0 HA ASP B 53 -13.110 -0.007 8.402 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -13.915 2.162 9.563 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -15.507 1.433 9.646 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.669 -2.039 8.195 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.598 -3.188 8.114 1.00 0.00 C ATOM 1871 C PRO B 54 -16.468 -3.258 9.377 1.00 0.00 C ATOM 1872 O PRO B 54 -17.382 -4.053 9.469 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.693 -4.435 8.001 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.215 -3.951 8.054 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.233 -2.411 8.182 1.00 0.00 C ATOM 0 HA PRO B 54 -16.279 -3.108 7.267 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.897 -5.131 8.815 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.889 -4.967 7.070 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.695 -4.400 8.900 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.680 -4.254 7.154 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.734 -2.086 9.095 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.712 -1.940 7.348 1.00 0.00 H new ATOM 1883 N SER B 55 -16.179 -2.447 10.353 1.00 0.00 N ATOM 1884 CA SER B 55 -16.977 -2.484 11.611 1.00 0.00 C ATOM 1885 C SER B 55 -18.334 -1.815 11.382 1.00 0.00 C ATOM 1886 O SER B 55 -19.267 -2.018 12.133 1.00 0.00 O ATOM 1887 CB SER B 55 -16.223 -1.741 12.714 1.00 0.00 C ATOM 1888 OG SER B 55 -14.990 -2.403 12.967 1.00 0.00 O ATOM 0 H SER B 55 -15.425 -1.760 10.336 1.00 0.00 H new ATOM 0 HA SER B 55 -17.132 -3.521 11.909 1.00 0.00 H new ATOM 0 HB2 SER B 55 -16.040 -0.709 12.414 1.00 0.00 H new ATOM 0 HB3 SER B 55 -16.824 -1.707 13.623 1.00 0.00 H new ATOM 0 HG SER B 55 -14.310 -2.080 12.339 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.457 -1.025 10.351 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.762 -0.355 10.081 1.00 0.00 C ATOM 1896 C GLU B 56 -20.686 -1.327 9.340 1.00 0.00 C ATOM 1897 O GLU B 56 -20.396 -1.780 8.249 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.529 0.894 9.232 1.00 0.00 C ATOM 1899 CG GLU B 56 -18.992 2.026 10.113 1.00 0.00 C ATOM 1900 CD GLU B 56 -18.774 3.277 9.260 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -17.918 3.236 8.392 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -19.466 4.255 9.491 1.00 0.00 O ATOM 0 H GLU B 56 -17.713 -0.814 9.685 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.227 -0.063 11.022 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.821 0.675 8.433 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.461 1.201 8.757 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -19.695 2.240 10.918 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.055 1.724 10.581 1.00 0.00 H new ATOM 1909 N SER B 57 -21.788 -1.659 9.944 1.00 0.00 N ATOM 1910 CA SER B 57 -22.749 -2.612 9.322 1.00 0.00 C ATOM 1911 C SER B 57 -23.094 -2.207 7.884 1.00 0.00 C ATOM 1912 O SER B 57 -23.255 -3.050 7.025 1.00 0.00 O ATOM 1913 CB SER B 57 -24.030 -2.648 10.154 1.00 0.00 C ATOM 1914 OG SER B 57 -24.524 -1.324 10.312 1.00 0.00 O ATOM 0 H SER B 57 -22.070 -1.305 10.858 1.00 0.00 H new ATOM 0 HA SER B 57 -22.281 -3.596 9.295 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.778 -3.272 9.665 1.00 0.00 H new ATOM 0 HB3 SER B 57 -23.832 -3.094 11.129 1.00 0.00 H new ATOM 0 HG SER B 57 -25.347 -1.343 10.844 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.236 -0.939 7.609 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.600 -0.537 6.222 1.00 0.00 C ATOM 1922 C TRP B 58 -22.511 -0.990 5.254 1.00 0.00 C ATOM 1923 O TRP B 58 -22.773 -1.286 4.106 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.833 0.981 6.141 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.542 1.741 6.071 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.999 2.435 7.097 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.649 1.930 4.932 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.827 3.031 6.667 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.563 2.748 5.345 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.667 1.472 3.594 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.532 3.102 4.462 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.632 1.826 2.702 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.567 2.638 3.137 1.00 0.00 C ATOM 0 H TRP B 58 -23.118 -0.175 8.274 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.534 -1.023 5.939 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.437 1.209 5.263 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.400 1.308 7.012 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.413 2.512 8.091 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -20.230 3.610 7.258 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.479 0.847 3.252 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.718 3.727 4.799 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.657 1.473 1.682 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.776 2.904 2.451 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.296 -1.076 5.709 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.209 -1.535 4.808 1.00 0.00 C ATOM 1946 C VAL B 59 -20.452 -2.999 4.464 1.00 0.00 C ATOM 1947 O VAL B 59 -20.364 -3.404 3.323 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.866 -1.380 5.517 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.742 -1.931 4.634 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.631 0.105 5.790 1.00 0.00 C ATOM 0 H VAL B 59 -21.009 -0.849 6.661 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.196 -0.940 3.895 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.874 -1.935 6.455 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.787 -1.817 5.147 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.922 -2.987 4.433 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.716 -1.382 3.693 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.675 0.235 6.297 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.619 0.651 4.847 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.432 0.490 6.422 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.778 -3.793 5.441 1.00 0.00 N ATOM 1961 CA GLN B 60 -21.049 -5.231 5.164 1.00 0.00 C ATOM 1962 C GLN B 60 -22.294 -5.347 4.278 1.00 0.00 C ATOM 1963 O GLN B 60 -22.390 -6.216 3.434 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.286 -5.971 6.482 1.00 0.00 C ATOM 1965 CG GLN B 60 -21.294 -7.480 6.226 1.00 0.00 C ATOM 1966 CD GLN B 60 -19.868 -7.957 5.947 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -19.072 -8.093 6.855 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -19.509 -8.220 4.720 1.00 0.00 N ATOM 0 H GLN B 60 -20.869 -3.512 6.417 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.194 -5.673 4.653 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -20.505 -5.717 7.199 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -22.235 -5.661 6.920 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -21.702 -8.004 7.090 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -21.939 -7.713 5.379 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -20.177 -8.106 3.958 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -18.561 -8.540 4.524 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.250 -4.478 4.470 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.496 -4.532 3.650 1.00 0.00 C ATOM 1979 C GLU B 61 -24.177 -4.225 2.184 1.00 0.00 C ATOM 1980 O GLU B 61 -24.581 -4.941 1.289 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.495 -3.502 4.178 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.839 -3.685 3.469 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.859 -2.702 4.046 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -27.687 -2.302 5.186 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -28.794 -2.366 3.339 1.00 0.00 O ATOM 0 H GLU B 61 -23.222 -3.730 5.162 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.924 -5.532 3.719 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.620 -3.620 5.254 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.117 -2.494 4.010 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.723 -3.518 2.398 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -27.193 -4.708 3.596 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.465 -3.163 1.931 1.00 0.00 N ATOM 1993 CA TYR B 62 -23.130 -2.805 0.522 1.00 0.00 C ATOM 1994 C TYR B 62 -22.304 -3.931 -0.110 1.00 0.00 C ATOM 1995 O TYR B 62 -22.429 -4.218 -1.284 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.321 -1.498 0.497 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.243 -0.292 0.585 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.201 -0.193 1.617 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.134 0.742 -0.369 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.044 0.935 1.691 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.978 1.865 -0.294 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.931 1.962 0.736 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.757 3.066 0.809 1.00 0.00 O ATOM 0 H TYR B 62 -23.100 -2.526 2.639 1.00 0.00 H new ATOM 0 HA TYR B 62 -24.052 -2.669 -0.044 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.617 -1.485 1.329 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.733 -1.446 -0.419 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.288 -0.981 2.350 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.401 0.671 -1.159 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.777 1.011 2.481 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.894 2.653 -1.028 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.547 3.680 0.075 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.469 -4.574 0.655 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.651 -5.678 0.092 1.00 0.00 C ATOM 2015 C VAL B 63 -21.586 -6.806 -0.314 1.00 0.00 C ATOM 2016 O VAL B 63 -21.422 -7.429 -1.343 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.668 -6.175 1.154 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.979 -7.453 0.666 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.613 -5.096 1.413 1.00 0.00 C ATOM 0 H VAL B 63 -21.319 -4.382 1.645 1.00 0.00 H new ATOM 0 HA VAL B 63 -20.088 -5.331 -0.775 1.00 0.00 H new ATOM 0 HB VAL B 63 -20.210 -6.388 2.075 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.280 -7.803 1.426 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.729 -8.222 0.481 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.437 -7.245 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.911 -5.447 2.169 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -18.075 -4.884 0.489 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -19.101 -4.187 1.765 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.572 -7.066 0.492 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.528 -8.150 0.165 1.00 0.00 C ATOM 2031 C TYR B 64 -24.244 -7.807 -1.138 1.00 0.00 C ATOM 2032 O TYR B 64 -24.417 -8.637 -2.006 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.553 -8.278 1.295 1.00 0.00 C ATOM 2034 CG TYR B 64 -25.255 -9.614 1.201 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.582 -10.790 1.585 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.580 -9.684 0.729 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -25.234 -12.035 1.497 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -27.232 -10.929 0.641 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.559 -12.105 1.025 1.00 0.00 C ATOM 2040 OH TYR B 64 -27.199 -13.325 0.938 1.00 0.00 O ATOM 0 H TYR B 64 -22.756 -6.572 1.365 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.994 -9.094 0.052 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -24.057 -8.185 2.261 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.281 -7.469 1.231 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.566 -10.737 1.947 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -27.096 -8.782 0.434 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.718 -12.937 1.792 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -28.248 -10.982 0.279 1.00 0.00 H new ATOM 0 HH TYR B 64 -28.107 -13.194 0.594 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.656 -6.582 -1.273 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.365 -6.161 -2.513 1.00 0.00 C ATOM 2052 C ASP B 65 -24.432 -6.334 -3.715 1.00 0.00 C ATOM 2053 O ASP B 65 -24.858 -6.658 -4.806 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.769 -4.688 -2.382 1.00 0.00 C ATOM 2055 CG ASP B 65 -27.033 -4.572 -1.525 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -26.902 -4.535 -0.313 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -28.109 -4.522 -2.097 1.00 0.00 O ATOM 0 H ASP B 65 -24.533 -5.848 -0.575 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.255 -6.773 -2.657 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.958 -4.118 -1.929 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -25.947 -4.261 -3.369 1.00 0.00 H new ATOM 2062 N LEU B 66 -23.164 -6.118 -3.518 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.192 -6.265 -4.637 1.00 0.00 C ATOM 2064 C LEU B 66 -22.008 -7.750 -4.966 1.00 0.00 C ATOM 2065 O LEU B 66 -21.744 -8.118 -6.093 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.852 -5.651 -4.209 1.00 0.00 C ATOM 2067 CG LEU B 66 -20.891 -4.117 -4.377 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.829 -3.471 -3.484 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.598 -3.732 -5.838 1.00 0.00 C ATOM 0 H LEU B 66 -22.755 -5.844 -2.625 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.563 -5.753 -5.525 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.642 -5.905 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -20.044 -6.069 -4.809 1.00 0.00 H new ATOM 0 HG LEU B 66 -21.884 -3.766 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.860 -2.388 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -20.026 -3.725 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.843 -3.839 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.629 -2.647 -5.942 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.609 -4.095 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.348 -4.180 -6.490 1.00 0.00 H new ATOM 2081 N GLU B 67 -22.149 -8.603 -3.992 1.00 0.00 N ATOM 2082 CA GLU B 67 -21.988 -10.063 -4.251 1.00 0.00 C ATOM 2083 C GLU B 67 -23.196 -10.565 -5.038 1.00 0.00 C ATOM 2084 O GLU B 67 -23.110 -11.512 -5.794 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.908 -10.810 -2.920 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.562 -10.523 -2.261 1.00 0.00 C ATOM 2087 CD GLU B 67 -20.409 -11.388 -1.008 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -21.063 -12.416 -0.939 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -19.641 -11.009 -0.140 1.00 0.00 O ATOM 0 H GLU B 67 -22.369 -8.354 -3.027 1.00 0.00 H new ATOM 0 HA GLU B 67 -21.075 -10.237 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.721 -10.497 -2.265 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -22.025 -11.881 -3.083 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -19.752 -10.731 -2.960 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.492 -9.468 -1.997 1.00 0.00 H new