USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 515 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 SER OG : rot -104:sc= 0.156 USER MOD Set 1.2: A 63 HIS : no HE2:sc= -1.89 K(o=-1.7,f=-0.75) USER MOD Set 2.1: A 26 CYS SG : rot 86:sc= 0.296 USER MOD Set 2.2: A 28 CYS SG : rot 106:sc= 2.22 USER MOD Set 2.3: A 53 CYS SG : rot -173:sc= -1.78 USER MOD Set 2.4: A 58 CYS SG : rot 109:sc= -0.283 USER MOD Set 3.1: A 8 CYS SG : rot -152:sc= -0.187 USER MOD Set 3.2: A 11 CYS SG : rot -108:sc= 0.738 USER MOD Set 3.3: A 15 TYR OH : rot 15:sc= 1.28 USER MOD Set 3.4: A 31 CYS SG : rot -61:sc= 0.312! USER MOD Set 3.5: A 34 CYS SG : rot 76:sc= -0.208 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -8.38! C(o=-8.4!,f=-14!) USER MOD Single : A 20 MET CE :methyl -174:sc= -3.62! (180deg=-3.8!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.13) USER MOD Single : A 27 GLN : amide:sc= -6.07! C(o=-6.1!,f=-6.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 36 LYS NZ :NH3+ 175:sc= 1.21 (180deg=1.03) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 44:sc= -2.08! USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= -0.0372 (180deg=-1.2) USER MOD Single : A 49 THR OG1 : rot -110:sc= -0.406 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 65 GLN : amide:sc= -13.9! C(o=-14!,f=-6.3!) USER MOD Single : A 67 ASN : amide:sc= -0.155! C(o=-0.15!,f=-7.4!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 7 -14.450 -5.359 1.100 1.00 0.00 N ATOM 92 CA SER A 7 -14.463 -3.928 0.815 1.00 0.00 C ATOM 93 C SER A 7 -13.147 -3.490 0.180 1.00 0.00 C ATOM 94 O SER A 7 -13.134 -2.858 -0.876 1.00 0.00 O ATOM 95 CB SER A 7 -14.714 -3.134 2.098 1.00 0.00 C ATOM 96 OG SER A 7 -16.099 -2.920 2.302 1.00 0.00 O ATOM 0 HA SER A 7 -15.270 -3.729 0.110 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.297 -3.671 2.950 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.199 -2.175 2.043 1.00 0.00 H new ATOM 0 HG SER A 7 -16.233 -2.412 3.129 1.00 0.00 H new ATOM 102 N CYS A 8 -12.040 -3.828 0.833 1.00 0.00 N ATOM 103 CA CYS A 8 -10.718 -3.470 0.335 1.00 0.00 C ATOM 104 C CYS A 8 -10.485 -4.050 -1.058 1.00 0.00 C ATOM 105 O CYS A 8 -10.979 -5.130 -1.383 1.00 0.00 O ATOM 106 CB CYS A 8 -9.636 -3.969 1.294 1.00 0.00 C ATOM 107 SG CYS A 8 -7.996 -3.224 1.019 1.00 0.00 S ATOM 0 H CYS A 8 -12.033 -4.350 1.709 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.664 -2.383 0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.950 -3.763 2.317 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.552 -5.052 1.198 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.073 -4.051 1.410 1.00 0.00 H new ATOM 112 N LYS A 9 -9.730 -3.325 -1.876 1.00 0.00 N ATOM 113 CA LYS A 9 -9.429 -3.766 -3.233 1.00 0.00 C ATOM 114 C LYS A 9 -7.924 -3.862 -3.452 1.00 0.00 C ATOM 115 O LYS A 9 -7.465 -4.447 -4.435 1.00 0.00 O ATOM 116 CB LYS A 9 -10.044 -2.804 -4.251 1.00 0.00 C ATOM 117 CG LYS A 9 -11.469 -2.394 -3.920 1.00 0.00 C ATOM 118 CD LYS A 9 -11.622 -0.882 -3.892 1.00 0.00 C ATOM 119 CE LYS A 9 -11.980 -0.333 -5.264 1.00 0.00 C ATOM 120 NZ LYS A 9 -13.004 0.744 -5.181 1.00 0.00 N ATOM 0 H LYS A 9 -9.315 -2.428 -1.623 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.862 -4.757 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.423 -1.910 -4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.029 -3.272 -5.235 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.151 -2.816 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.752 -2.807 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.396 -0.607 -3.175 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.693 -0.427 -3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.082 0.056 -5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.354 -1.142 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.221 1.092 -6.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.870 0.367 -4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.638 1.527 -4.603 1.00 0.00 H new ATOM 134 N LEU A 10 -7.158 -3.285 -2.532 1.00 0.00 N ATOM 135 CA LEU A 10 -5.702 -3.308 -2.625 1.00 0.00 C ATOM 136 C LEU A 10 -5.167 -4.726 -2.451 1.00 0.00 C ATOM 137 O LEU A 10 -4.114 -5.073 -2.986 1.00 0.00 O ATOM 138 CB LEU A 10 -5.090 -2.387 -1.567 1.00 0.00 C ATOM 139 CG LEU A 10 -5.106 -0.893 -1.890 1.00 0.00 C ATOM 140 CD1 LEU A 10 -4.614 -0.084 -0.699 1.00 0.00 C ATOM 141 CD2 LEU A 10 -4.259 -0.603 -3.120 1.00 0.00 C ATOM 0 H LEU A 10 -7.521 -2.796 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.420 -2.952 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.622 -2.541 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.057 -2.692 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.133 -0.599 -2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.632 0.977 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.262 -0.267 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.595 -0.382 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.283 0.465 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.231 -0.913 -2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.656 -1.153 -3.973 1.00 0.00 H new ATOM 153 N CYS A 11 -5.901 -5.542 -1.702 1.00 0.00 N ATOM 154 CA CYS A 11 -5.502 -6.923 -1.458 1.00 0.00 C ATOM 155 C CYS A 11 -6.670 -7.876 -1.692 1.00 0.00 C ATOM 156 O CYS A 11 -6.584 -9.067 -1.392 1.00 0.00 O ATOM 157 CB CYS A 11 -4.979 -7.081 -0.029 1.00 0.00 C ATOM 158 SG CYS A 11 -6.240 -6.810 1.258 1.00 0.00 S ATOM 0 H CYS A 11 -6.776 -5.271 -1.253 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.705 -7.173 -2.159 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.566 -8.083 0.087 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.160 -6.379 0.126 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.016 -5.676 1.853 1.00 0.00 H new ATOM 163 N LEU A 12 -7.762 -7.343 -2.229 1.00 0.00 N ATOM 164 CA LEU A 12 -8.949 -8.145 -2.505 1.00 0.00 C ATOM 165 C LEU A 12 -9.279 -9.054 -1.324 1.00 0.00 C ATOM 166 O LEU A 12 -9.506 -10.251 -1.494 1.00 0.00 O ATOM 167 CB LEU A 12 -8.741 -8.984 -3.766 1.00 0.00 C ATOM 168 CG LEU A 12 -8.445 -8.206 -5.049 1.00 0.00 C ATOM 169 CD1 LEU A 12 -7.400 -8.930 -5.884 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.721 -7.998 -5.852 1.00 0.00 C ATOM 0 H LEU A 12 -7.850 -6.359 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.787 -7.466 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.918 -9.676 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.634 -9.587 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.048 -7.229 -4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.203 -8.361 -6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.479 -9.027 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.769 -9.921 -6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.492 -7.443 -6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.147 -8.966 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.439 -7.436 -5.255 1.00 0.00 H new ATOM 182 N GLY A 13 -9.303 -8.475 -0.127 1.00 0.00 N ATOM 183 CA GLY A 13 -9.607 -9.247 1.064 1.00 0.00 C ATOM 184 C GLY A 13 -11.010 -8.990 1.578 1.00 0.00 C ATOM 185 O GLY A 13 -11.981 -9.527 1.045 1.00 0.00 O ATOM 0 H GLY A 13 -9.117 -7.486 0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.492 -10.308 0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.887 -9.003 1.845 1.00 0.00 H new ATOM 189 N GLU A 14 -11.116 -8.169 2.618 1.00 0.00 N ATOM 190 CA GLU A 14 -12.411 -7.847 3.206 1.00 0.00 C ATOM 191 C GLU A 14 -12.239 -7.128 4.540 1.00 0.00 C ATOM 192 O GLU A 14 -12.324 -5.901 4.613 1.00 0.00 O ATOM 193 CB GLU A 14 -13.239 -9.119 3.403 1.00 0.00 C ATOM 194 CG GLU A 14 -12.404 -10.343 3.737 1.00 0.00 C ATOM 195 CD GLU A 14 -13.009 -11.175 4.851 1.00 0.00 C ATOM 196 OE1 GLU A 14 -12.238 -11.738 5.656 1.00 0.00 O ATOM 197 OE2 GLU A 14 -14.253 -11.265 4.916 1.00 0.00 O ATOM 0 H GLU A 14 -10.322 -7.715 3.070 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.937 -7.183 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.960 -8.952 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.809 -9.315 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.297 -10.960 2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.402 -10.027 4.028 1.00 0.00 H new ATOM 204 N TYR A 15 -11.997 -7.900 5.595 1.00 0.00 N ATOM 205 CA TYR A 15 -11.815 -7.337 6.927 1.00 0.00 C ATOM 206 C TYR A 15 -13.048 -6.549 7.359 1.00 0.00 C ATOM 207 O TYR A 15 -13.744 -5.940 6.547 1.00 0.00 O ATOM 208 CB TYR A 15 -10.582 -6.433 6.959 1.00 0.00 C ATOM 209 CG TYR A 15 -9.415 -6.974 6.166 1.00 0.00 C ATOM 210 CD1 TYR A 15 -9.290 -6.709 4.808 1.00 0.00 C ATOM 211 CD2 TYR A 15 -8.436 -7.752 6.773 1.00 0.00 C ATOM 212 CE1 TYR A 15 -8.225 -7.201 4.078 1.00 0.00 C ATOM 213 CE2 TYR A 15 -7.367 -8.247 6.053 1.00 0.00 C ATOM 214 CZ TYR A 15 -7.266 -7.969 4.705 1.00 0.00 C ATOM 215 OH TYR A 15 -6.204 -8.462 3.983 1.00 0.00 O ATOM 0 H TYR A 15 -11.923 -8.916 5.553 1.00 0.00 H new ATOM 0 HA TYR A 15 -11.670 -8.162 7.624 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.851 -5.451 6.569 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.272 -6.291 7.994 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.039 -6.108 4.314 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -8.513 -7.973 7.827 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.144 -6.986 3.023 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.614 -8.848 6.542 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.147 -7.993 3.124 1.00 0.00 H new ATOM 225 N PRO A 16 -13.328 -6.563 8.671 1.00 0.00 N ATOM 226 CA PRO A 16 -14.476 -5.853 9.243 1.00 0.00 C ATOM 227 C PRO A 16 -14.306 -4.339 9.193 1.00 0.00 C ATOM 228 O PRO A 16 -13.193 -3.825 9.298 1.00 0.00 O ATOM 229 CB PRO A 16 -14.508 -6.341 10.693 1.00 0.00 C ATOM 230 CG PRO A 16 -13.104 -6.742 10.989 1.00 0.00 C ATOM 231 CD PRO A 16 -12.542 -7.269 9.698 1.00 0.00 C ATOM 0 HA PRO A 16 -15.395 -6.053 8.691 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.846 -5.555 11.368 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.193 -7.180 10.813 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.523 -5.893 11.349 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.072 -7.504 11.768 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.477 -7.056 9.606 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.658 -8.350 9.621 1.00 0.00 H new ATOM 239 N VAL A 17 -15.417 -3.628 9.034 1.00 0.00 N ATOM 240 CA VAL A 17 -15.392 -2.171 8.973 1.00 0.00 C ATOM 241 C VAL A 17 -14.438 -1.595 10.013 1.00 0.00 C ATOM 242 O VAL A 17 -13.640 -0.708 9.712 1.00 0.00 O ATOM 243 CB VAL A 17 -16.795 -1.575 9.191 1.00 0.00 C ATOM 244 CG1 VAL A 17 -16.896 -0.199 8.552 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.862 -2.509 8.639 1.00 0.00 C ATOM 0 H VAL A 17 -16.347 -4.037 8.945 1.00 0.00 H new ATOM 0 HA VAL A 17 -15.044 -1.901 7.976 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.961 -1.464 10.262 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.894 0.206 8.716 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -16.157 0.465 9.000 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.709 -0.281 7.481 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.847 -2.072 8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -17.701 -2.654 7.571 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.803 -3.471 9.149 1.00 0.00 H new ATOM 255 N GLU A 18 -14.528 -2.104 11.237 1.00 0.00 N ATOM 256 CA GLU A 18 -13.673 -1.638 12.323 1.00 0.00 C ATOM 257 C GLU A 18 -12.200 -1.827 11.973 1.00 0.00 C ATOM 258 O GLU A 18 -11.353 -1.019 12.354 1.00 0.00 O ATOM 259 CB GLU A 18 -14.002 -2.385 13.617 1.00 0.00 C ATOM 260 CG GLU A 18 -14.403 -3.834 13.398 1.00 0.00 C ATOM 261 CD GLU A 18 -15.896 -4.001 13.196 1.00 0.00 C ATOM 262 OE1 GLU A 18 -16.341 -5.150 12.986 1.00 0.00 O ATOM 263 OE2 GLU A 18 -16.620 -2.985 13.247 1.00 0.00 O ATOM 0 H GLU A 18 -15.184 -2.839 11.502 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.860 -0.574 12.469 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.134 -2.353 14.276 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.812 -1.866 14.130 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.876 -4.225 12.528 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.087 -4.428 14.256 1.00 0.00 H new ATOM 270 N GLN A 19 -11.903 -2.900 11.247 1.00 0.00 N ATOM 271 CA GLN A 19 -10.532 -3.195 10.847 1.00 0.00 C ATOM 272 C GLN A 19 -10.158 -2.435 9.579 1.00 0.00 C ATOM 273 O GLN A 19 -9.279 -2.855 8.828 1.00 0.00 O ATOM 274 CB GLN A 19 -10.356 -4.699 10.624 1.00 0.00 C ATOM 275 CG GLN A 19 -10.238 -5.495 11.914 1.00 0.00 C ATOM 276 CD GLN A 19 -11.078 -4.916 13.035 1.00 0.00 C ATOM 277 OE1 GLN A 19 -10.963 -3.736 13.367 1.00 0.00 O ATOM 278 NE2 GLN A 19 -11.928 -5.746 13.627 1.00 0.00 N ATOM 0 H GLN A 19 -12.592 -3.579 10.924 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.869 -2.873 11.650 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.204 -5.075 10.051 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.464 -4.867 10.020 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.544 -6.525 11.730 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.194 -5.523 12.225 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.991 -6.717 13.320 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.518 -5.413 14.389 1.00 0.00 H new ATOM 287 N MET A 20 -10.832 -1.313 9.349 1.00 0.00 N ATOM 288 CA MET A 20 -10.569 -0.492 8.171 1.00 0.00 C ATOM 289 C MET A 20 -10.342 0.964 8.563 1.00 0.00 C ATOM 290 O MET A 20 -10.517 1.341 9.722 1.00 0.00 O ATOM 291 CB MET A 20 -11.733 -0.592 7.184 1.00 0.00 C ATOM 292 CG MET A 20 -12.412 -1.952 7.180 1.00 0.00 C ATOM 293 SD MET A 20 -13.405 -2.228 5.700 1.00 0.00 S ATOM 294 CE MET A 20 -12.136 -2.677 4.519 1.00 0.00 C ATOM 0 H MET A 20 -11.563 -0.951 9.961 1.00 0.00 H new ATOM 0 HA MET A 20 -9.664 -0.866 7.693 1.00 0.00 H new ATOM 0 HB2 MET A 20 -12.471 0.173 7.427 1.00 0.00 H new ATOM 0 HB3 MET A 20 -11.367 -0.375 6.180 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.655 -2.732 7.255 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.048 -2.039 8.061 1.00 0.00 H new ATOM 0 HE1 MET A 20 -12.579 -2.775 3.528 1.00 0.00 H new ATOM 0 HE2 MET A 20 -11.368 -1.904 4.498 1.00 0.00 H new ATOM 0 HE3 MET A 20 -11.687 -3.626 4.811 1.00 0.00 H new ATOM 304 N THR A 21 -9.952 1.781 7.589 1.00 0.00 N ATOM 305 CA THR A 21 -9.700 3.196 7.834 1.00 0.00 C ATOM 306 C THR A 21 -10.209 4.051 6.679 1.00 0.00 C ATOM 307 O THR A 21 -10.205 3.622 5.525 1.00 0.00 O ATOM 308 CB THR A 21 -8.199 3.471 8.039 1.00 0.00 C ATOM 309 OG1 THR A 21 -7.765 2.919 9.286 1.00 0.00 O ATOM 310 CG2 THR A 21 -7.915 4.966 8.014 1.00 0.00 C ATOM 0 H THR A 21 -9.804 1.487 6.624 1.00 0.00 H new ATOM 0 HA THR A 21 -10.238 3.461 8.744 1.00 0.00 H new ATOM 0 HB THR A 21 -7.651 2.999 7.224 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.809 3.097 9.408 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.848 5.136 8.161 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.219 5.378 7.052 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.474 5.456 8.811 1.00 0.00 H new ATOM 318 N THR A 22 -10.648 5.265 6.997 1.00 0.00 N ATOM 319 CA THR A 22 -11.162 6.182 5.987 1.00 0.00 C ATOM 320 C THR A 22 -10.040 7.024 5.389 1.00 0.00 C ATOM 321 O THR A 22 -9.087 7.385 6.080 1.00 0.00 O ATOM 322 CB THR A 22 -12.237 7.117 6.571 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.366 6.353 7.007 1.00 0.00 O ATOM 324 CG2 THR A 22 -12.679 8.144 5.539 1.00 0.00 C ATOM 0 H THR A 22 -10.658 5.636 7.947 1.00 0.00 H new ATOM 0 HA THR A 22 -11.611 5.571 5.204 1.00 0.00 H new ATOM 0 HB THR A 22 -11.806 7.644 7.422 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.044 6.955 7.379 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.439 8.793 5.974 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.822 8.743 5.232 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.094 7.632 4.671 1.00 0.00 H new ATOM 332 N ILE A 23 -10.162 7.337 4.103 1.00 0.00 N ATOM 333 CA ILE A 23 -9.159 8.139 3.415 1.00 0.00 C ATOM 334 C ILE A 23 -9.067 9.538 4.014 1.00 0.00 C ATOM 335 O ILE A 23 -8.249 9.793 4.897 1.00 0.00 O ATOM 336 CB ILE A 23 -9.468 8.258 1.910 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.304 6.899 1.225 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.564 9.296 1.263 1.00 0.00 C ATOM 339 CD1 ILE A 23 -7.920 6.309 1.379 1.00 0.00 C ATOM 0 H ILE A 23 -10.945 7.047 3.517 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.205 7.627 3.543 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.502 8.582 1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.035 6.203 1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.529 7.006 0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.795 9.368 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.726 10.265 1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.522 9.000 1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.876 5.347 0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.185 6.985 0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.700 6.169 2.437 1.00 0.00 H new ATOM 351 N ALA A 24 -9.915 10.440 3.530 1.00 0.00 N ATOM 352 CA ALA A 24 -9.932 11.813 4.021 1.00 0.00 C ATOM 353 C ALA A 24 -10.643 12.739 3.039 1.00 0.00 C ATOM 354 O ALA A 24 -11.357 13.655 3.444 1.00 0.00 O ATOM 355 CB ALA A 24 -8.513 12.300 4.276 1.00 0.00 C ATOM 0 H ALA A 24 -10.599 10.245 2.799 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.485 11.830 4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.541 13.326 4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.038 11.662 5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.943 12.261 3.348 1.00 0.00 H new ATOM 361 N GLN A 25 -10.442 12.492 1.749 1.00 0.00 N ATOM 362 CA GLN A 25 -11.063 13.305 0.711 1.00 0.00 C ATOM 363 C GLN A 25 -12.230 12.565 0.066 1.00 0.00 C ATOM 364 O GLN A 25 -13.352 13.071 0.023 1.00 0.00 O ATOM 365 CB GLN A 25 -10.033 13.683 -0.355 1.00 0.00 C ATOM 366 CG GLN A 25 -9.568 15.128 -0.266 1.00 0.00 C ATOM 367 CD GLN A 25 -10.671 16.117 -0.586 1.00 0.00 C ATOM 368 OE1 GLN A 25 -11.132 16.203 -1.725 1.00 0.00 O ATOM 369 NE2 GLN A 25 -11.103 16.871 0.418 1.00 0.00 N ATOM 0 H GLN A 25 -9.854 11.736 1.398 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.445 14.214 1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.169 13.025 -0.263 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.462 13.508 -1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.191 15.323 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -8.737 15.281 -0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.693 16.767 1.346 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.844 17.554 0.261 1.00 0.00 H new ATOM 378 N CYS A 26 -11.960 11.365 -0.436 1.00 0.00 N ATOM 379 CA CYS A 26 -12.986 10.555 -1.080 1.00 0.00 C ATOM 380 C CYS A 26 -13.825 9.815 -0.042 1.00 0.00 C ATOM 381 O CYS A 26 -15.019 9.589 -0.241 1.00 0.00 O ATOM 382 CB CYS A 26 -12.346 9.553 -2.042 1.00 0.00 C ATOM 383 SG CYS A 26 -11.178 8.401 -1.249 1.00 0.00 S ATOM 0 H CYS A 26 -11.037 10.931 -0.409 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.640 11.222 -1.643 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.134 8.977 -2.527 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.823 10.101 -2.826 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.830 7.384 -0.769 1.00 0.00 H new ATOM 388 N GLN A 27 -13.193 9.441 1.066 1.00 0.00 N ATOM 389 CA GLN A 27 -13.881 8.727 2.134 1.00 0.00 C ATOM 390 C GLN A 27 -14.030 7.248 1.792 1.00 0.00 C ATOM 391 O GLN A 27 -15.109 6.672 1.934 1.00 0.00 O ATOM 392 CB GLN A 27 -15.257 9.345 2.385 1.00 0.00 C ATOM 393 CG GLN A 27 -15.266 10.863 2.306 1.00 0.00 C ATOM 394 CD GLN A 27 -14.013 11.486 2.892 1.00 0.00 C ATOM 395 OE1 GLN A 27 -13.501 12.479 2.377 1.00 0.00 O ATOM 396 NE2 GLN A 27 -13.514 10.902 3.976 1.00 0.00 N ATOM 0 H GLN A 27 -12.205 9.621 1.247 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.281 8.813 3.040 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.963 8.947 1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.609 9.039 3.370 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.366 11.168 1.264 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.139 11.245 2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.972 10.080 4.369 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.673 11.276 4.415 1.00 0.00 H new ATOM 405 N CYS A 28 -12.938 6.637 1.341 1.00 0.00 N ATOM 406 CA CYS A 28 -12.947 5.226 0.978 1.00 0.00 C ATOM 407 C CYS A 28 -12.619 4.352 2.185 1.00 0.00 C ATOM 408 O CYS A 28 -12.434 4.852 3.294 1.00 0.00 O ATOM 409 CB CYS A 28 -11.943 4.960 -0.146 1.00 0.00 C ATOM 410 SG CYS A 28 -12.492 5.533 -1.785 1.00 0.00 S ATOM 0 H CYS A 28 -12.036 7.098 1.219 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.948 4.973 0.629 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.000 5.448 0.101 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.744 3.889 -0.195 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.833 6.604 -2.114 1.00 0.00 H new ATOM 415 N ILE A 29 -12.548 3.044 1.960 1.00 0.00 N ATOM 416 CA ILE A 29 -12.241 2.101 3.028 1.00 0.00 C ATOM 417 C ILE A 29 -11.177 1.100 2.589 1.00 0.00 C ATOM 418 O ILE A 29 -11.286 0.488 1.525 1.00 0.00 O ATOM 419 CB ILE A 29 -13.497 1.332 3.479 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.616 1.359 5.005 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.453 -0.101 2.970 1.00 0.00 C ATOM 422 CD1 ILE A 29 -15.018 1.087 5.505 1.00 0.00 C ATOM 0 H ILE A 29 -12.699 2.614 1.048 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.863 2.686 3.866 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.375 1.819 3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.938 0.618 5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.291 2.333 5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.348 -0.631 3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.410 -0.099 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.569 -0.601 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.029 1.122 6.594 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.698 1.843 5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.339 0.101 5.170 1.00 0.00 H new ATOM 434 N PHE A 30 -10.149 0.937 3.415 1.00 0.00 N ATOM 435 CA PHE A 30 -9.065 0.009 3.112 1.00 0.00 C ATOM 436 C PHE A 30 -8.408 -0.497 4.394 1.00 0.00 C ATOM 437 O PHE A 30 -8.169 0.271 5.327 1.00 0.00 O ATOM 438 CB PHE A 30 -8.019 0.685 2.223 1.00 0.00 C ATOM 439 CG PHE A 30 -8.558 1.122 0.890 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.980 2.427 0.692 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.643 0.227 -0.164 1.00 0.00 C ATOM 442 CE1 PHE A 30 -9.476 2.831 -0.533 1.00 0.00 C ATOM 443 CE2 PHE A 30 -9.137 0.625 -1.392 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.556 1.929 -1.576 1.00 0.00 C ATOM 0 H PHE A 30 -10.043 1.435 4.299 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.488 -0.843 2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.616 1.553 2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.190 -0.004 2.063 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.921 3.136 1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.319 -0.794 -0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.801 3.851 -0.675 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.195 -0.082 -2.206 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.945 2.242 -2.533 1.00 0.00 H new ATOM 454 N CYS A 31 -8.120 -1.792 4.432 1.00 0.00 N ATOM 455 CA CYS A 31 -7.493 -2.403 5.598 1.00 0.00 C ATOM 456 C CYS A 31 -6.175 -1.709 5.932 1.00 0.00 C ATOM 457 O CYS A 31 -5.332 -1.498 5.058 1.00 0.00 O ATOM 458 CB CYS A 31 -7.249 -3.893 5.350 1.00 0.00 C ATOM 459 SG CYS A 31 -5.850 -4.243 4.237 1.00 0.00 S ATOM 0 H CYS A 31 -8.311 -2.440 3.668 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.169 -2.289 6.445 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.070 -4.385 6.306 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.153 -4.333 4.929 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.077 -3.709 3.074 1.00 0.00 H new ATOM 464 N THR A 32 -6.004 -1.357 7.202 1.00 0.00 N ATOM 465 CA THR A 32 -4.790 -0.687 7.653 1.00 0.00 C ATOM 466 C THR A 32 -3.573 -1.169 6.871 1.00 0.00 C ATOM 467 O THR A 32 -2.912 -0.387 6.187 1.00 0.00 O ATOM 468 CB THR A 32 -4.545 -0.918 9.156 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.760 -0.718 9.886 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.471 0.023 9.679 1.00 0.00 C ATOM 0 H THR A 32 -6.691 -1.525 7.937 1.00 0.00 H new ATOM 0 HA THR A 32 -4.934 0.379 7.476 1.00 0.00 H new ATOM 0 HB THR A 32 -4.204 -1.944 9.294 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.597 -0.868 10.841 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.315 -0.158 10.742 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.540 -0.153 9.140 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.787 1.055 9.530 1.00 0.00 H new ATOM 478 N LEU A 33 -3.283 -2.461 6.976 1.00 0.00 N ATOM 479 CA LEU A 33 -2.145 -3.048 6.276 1.00 0.00 C ATOM 480 C LEU A 33 -1.919 -2.364 4.932 1.00 0.00 C ATOM 481 O LEU A 33 -0.924 -1.663 4.739 1.00 0.00 O ATOM 482 CB LEU A 33 -2.367 -4.547 6.067 1.00 0.00 C ATOM 483 CG LEU A 33 -2.326 -5.414 7.326 1.00 0.00 C ATOM 484 CD1 LEU A 33 -3.400 -6.490 7.271 1.00 0.00 C ATOM 485 CD2 LEU A 33 -0.950 -6.041 7.497 1.00 0.00 C ATOM 0 H LEU A 33 -3.819 -3.122 7.538 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.257 -2.900 6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.335 -4.687 5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.610 -4.913 5.373 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.524 -4.777 8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.354 -7.096 8.176 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.381 -6.021 7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.235 -7.125 6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.939 -6.654 8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.724 -6.663 6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.200 -5.255 7.584 1.00 0.00 H new ATOM 497 N CYS A 34 -2.849 -2.571 4.005 1.00 0.00 N ATOM 498 CA CYS A 34 -2.752 -1.973 2.680 1.00 0.00 C ATOM 499 C CYS A 34 -2.641 -0.454 2.774 1.00 0.00 C ATOM 500 O CYS A 34 -1.652 0.135 2.336 1.00 0.00 O ATOM 501 CB CYS A 34 -3.971 -2.354 1.836 1.00 0.00 C ATOM 502 SG CYS A 34 -4.138 -4.143 1.536 1.00 0.00 S ATOM 0 H CYS A 34 -3.678 -3.148 4.148 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.851 -2.356 2.201 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.871 -1.994 2.334 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.911 -1.840 0.877 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.572 -4.725 2.614 1.00 0.00 H new ATOM 507 N LEU A 35 -3.660 0.174 3.349 1.00 0.00 N ATOM 508 CA LEU A 35 -3.677 1.625 3.503 1.00 0.00 C ATOM 509 C LEU A 35 -2.399 2.116 4.174 1.00 0.00 C ATOM 510 O LEU A 35 -2.078 3.304 4.129 1.00 0.00 O ATOM 511 CB LEU A 35 -4.894 2.056 4.322 1.00 0.00 C ATOM 512 CG LEU A 35 -5.436 3.456 4.033 1.00 0.00 C ATOM 513 CD1 LEU A 35 -5.742 3.615 2.551 1.00 0.00 C ATOM 514 CD2 LEU A 35 -6.678 3.732 4.869 1.00 0.00 C ATOM 0 H LEU A 35 -4.486 -0.298 3.717 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.738 2.070 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.695 1.336 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.634 2.000 5.379 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.671 4.183 4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.127 4.618 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.831 3.463 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.488 2.879 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.049 4.733 4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.448 2.999 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.427 3.662 5.927 1.00 0.00 H new ATOM 526 N LYS A 36 -1.670 1.195 4.794 1.00 0.00 N ATOM 527 CA LYS A 36 -0.423 1.532 5.471 1.00 0.00 C ATOM 528 C LYS A 36 0.768 1.369 4.533 1.00 0.00 C ATOM 529 O LYS A 36 1.370 2.352 4.104 1.00 0.00 O ATOM 530 CB LYS A 36 -0.237 0.650 6.709 1.00 0.00 C ATOM 531 CG LYS A 36 1.063 0.910 7.450 1.00 0.00 C ATOM 532 CD LYS A 36 2.098 -0.164 7.156 1.00 0.00 C ATOM 533 CE LYS A 36 3.034 -0.375 8.336 1.00 0.00 C ATOM 534 NZ LYS A 36 4.404 -0.756 7.896 1.00 0.00 N ATOM 0 H LYS A 36 -1.921 0.208 4.842 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.477 2.576 5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.073 0.813 7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.271 -0.397 6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.457 1.885 7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.870 0.947 8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.594 -1.101 6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.677 0.119 6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.084 0.539 8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.631 -1.153 8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.032 -0.808 8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.372 -1.683 7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.766 -0.043 7.231 1.00 0.00 H new ATOM 548 N GLN A 37 1.100 0.121 4.218 1.00 0.00 N ATOM 549 CA GLN A 37 2.219 -0.170 3.329 1.00 0.00 C ATOM 550 C GLN A 37 2.204 0.754 2.115 1.00 0.00 C ATOM 551 O GLN A 37 3.228 0.953 1.462 1.00 0.00 O ATOM 552 CB GLN A 37 2.171 -1.630 2.875 1.00 0.00 C ATOM 553 CG GLN A 37 3.399 -2.431 3.274 1.00 0.00 C ATOM 554 CD GLN A 37 3.052 -3.672 4.074 1.00 0.00 C ATOM 555 OE1 GLN A 37 3.190 -3.694 5.297 1.00 0.00 O ATOM 556 NE2 GLN A 37 2.599 -4.712 3.385 1.00 0.00 N ATOM 0 H GLN A 37 0.611 -0.704 4.565 1.00 0.00 H new ATOM 0 HA GLN A 37 3.143 0.001 3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.285 -2.104 3.297 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.063 -1.661 1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.945 -2.723 2.377 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.065 -1.799 3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.501 -4.649 2.372 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.349 -5.575 3.869 1.00 0.00 H new ATOM 565 N TYR A 38 1.036 1.313 1.818 1.00 0.00 N ATOM 566 CA TYR A 38 0.887 2.212 0.680 1.00 0.00 C ATOM 567 C TYR A 38 1.331 3.627 1.043 1.00 0.00 C ATOM 568 O TYR A 38 2.149 4.230 0.348 1.00 0.00 O ATOM 569 CB TYR A 38 -0.567 2.229 0.204 1.00 0.00 C ATOM 570 CG TYR A 38 -1.090 3.615 -0.097 1.00 0.00 C ATOM 571 CD1 TYR A 38 -0.349 4.507 -0.865 1.00 0.00 C ATOM 572 CD2 TYR A 38 -2.323 4.034 0.385 1.00 0.00 C ATOM 573 CE1 TYR A 38 -0.823 5.774 -1.142 1.00 0.00 C ATOM 574 CE2 TYR A 38 -2.805 5.300 0.111 1.00 0.00 C ATOM 575 CZ TYR A 38 -2.051 6.167 -0.652 1.00 0.00 C ATOM 576 OH TYR A 38 -2.526 7.428 -0.926 1.00 0.00 O ATOM 0 H TYR A 38 0.179 1.159 2.349 1.00 0.00 H new ATOM 0 HA TYR A 38 1.522 1.846 -0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.654 1.615 -0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.196 1.771 0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.613 4.204 -1.251 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.916 3.359 0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.235 6.454 -1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.767 5.609 0.492 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.371 7.638 -1.871 1.00 0.00 H new ATOM 586 N VAL A 39 0.785 4.149 2.136 1.00 0.00 N ATOM 587 CA VAL A 39 1.125 5.491 2.593 1.00 0.00 C ATOM 588 C VAL A 39 2.426 5.489 3.389 1.00 0.00 C ATOM 589 O VAL A 39 3.340 6.260 3.104 1.00 0.00 O ATOM 590 CB VAL A 39 0.004 6.088 3.465 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.314 6.098 2.707 1.00 0.00 C ATOM 592 CG2 VAL A 39 -0.127 5.314 4.768 1.00 0.00 C ATOM 0 H VAL A 39 0.106 3.663 2.721 1.00 0.00 H new ATOM 0 HA VAL A 39 1.249 6.106 1.702 1.00 0.00 H new ATOM 0 HB VAL A 39 0.265 7.119 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.094 6.523 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.210 6.700 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.584 5.078 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.923 5.750 5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.365 4.273 4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.813 5.364 5.317 1.00 0.00 H new ATOM 602 N GLU A 40 2.501 4.613 4.386 1.00 0.00 N ATOM 603 CA GLU A 40 3.689 4.510 5.223 1.00 0.00 C ATOM 604 C GLU A 40 4.952 4.780 4.411 1.00 0.00 C ATOM 605 O GLU A 40 5.921 5.349 4.917 1.00 0.00 O ATOM 606 CB GLU A 40 3.770 3.123 5.865 1.00 0.00 C ATOM 607 CG GLU A 40 4.224 3.148 7.314 1.00 0.00 C ATOM 608 CD GLU A 40 5.471 2.318 7.550 1.00 0.00 C ATOM 609 OE1 GLU A 40 5.669 1.326 6.818 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.248 2.661 8.466 1.00 0.00 O ATOM 0 H GLU A 40 1.753 3.965 4.633 1.00 0.00 H new ATOM 0 HA GLU A 40 3.614 5.262 6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.791 2.648 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.458 2.505 5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.416 4.178 7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.420 2.777 7.949 1.00 0.00 H new ATOM 617 N LEU A 41 4.935 4.369 3.148 1.00 0.00 N ATOM 618 CA LEU A 41 6.078 4.566 2.263 1.00 0.00 C ATOM 619 C LEU A 41 6.065 5.967 1.659 1.00 0.00 C ATOM 620 O LEU A 41 7.095 6.639 1.600 1.00 0.00 O ATOM 621 CB LEU A 41 6.072 3.518 1.149 1.00 0.00 C ATOM 622 CG LEU A 41 7.290 2.595 1.088 1.00 0.00 C ATOM 623 CD1 LEU A 41 7.567 1.988 2.455 1.00 0.00 C ATOM 624 CD2 LEU A 41 7.081 1.503 0.050 1.00 0.00 C ATOM 0 H LEU A 41 4.142 3.897 2.713 1.00 0.00 H new ATOM 0 HA LEU A 41 6.987 4.454 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.180 2.902 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.984 4.034 0.193 1.00 0.00 H new ATOM 0 HG LEU A 41 8.156 3.187 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.437 1.334 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.762 2.784 3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.701 1.410 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.958 0.856 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.203 0.913 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.932 1.956 -0.930 1.00 0.00 H new ATOM 636 N LEU A 42 4.890 6.402 1.214 1.00 0.00 N ATOM 637 CA LEU A 42 4.742 7.725 0.617 1.00 0.00 C ATOM 638 C LEU A 42 4.698 8.807 1.692 1.00 0.00 C ATOM 639 O LEU A 42 5.595 9.644 1.779 1.00 0.00 O ATOM 640 CB LEU A 42 3.471 7.782 -0.232 1.00 0.00 C ATOM 641 CG LEU A 42 3.521 7.037 -1.567 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.116 6.795 -2.096 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.348 7.813 -2.581 1.00 0.00 C ATOM 0 H LEU A 42 4.028 5.859 1.255 1.00 0.00 H new ATOM 0 HA LEU A 42 5.607 7.908 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.647 7.378 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.238 8.828 -0.431 1.00 0.00 H new ATOM 0 HG LEU A 42 3.997 6.070 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.171 6.264 -3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.555 6.197 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.613 7.751 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.372 7.268 -3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.901 8.794 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.364 7.934 -2.206 1.00 0.00 H new ATOM 655 N ILE A 43 3.650 8.779 2.508 1.00 0.00 N ATOM 656 CA ILE A 43 3.492 9.755 3.580 1.00 0.00 C ATOM 657 C ILE A 43 4.832 10.078 4.231 1.00 0.00 C ATOM 658 O ILE A 43 5.035 11.179 4.745 1.00 0.00 O ATOM 659 CB ILE A 43 2.517 9.251 4.661 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.425 10.292 4.919 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.268 8.934 5.945 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.174 10.071 4.098 1.00 0.00 C ATOM 0 H ILE A 43 2.898 8.092 2.448 1.00 0.00 H new ATOM 0 HA ILE A 43 3.084 10.658 3.127 1.00 0.00 H new ATOM 0 HB ILE A 43 2.044 8.336 4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.163 10.277 5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.821 11.284 4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.566 8.579 6.699 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.012 8.162 5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.765 9.834 6.307 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.556 10.845 4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.422 10.115 3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.247 9.093 4.332 1.00 0.00 H new ATOM 674 N LYS A 44 5.745 9.114 4.205 1.00 0.00 N ATOM 675 CA LYS A 44 7.068 9.295 4.790 1.00 0.00 C ATOM 676 C LYS A 44 7.929 10.204 3.917 1.00 0.00 C ATOM 677 O LYS A 44 8.476 11.198 4.391 1.00 0.00 O ATOM 678 CB LYS A 44 7.758 7.941 4.971 1.00 0.00 C ATOM 679 CG LYS A 44 7.983 7.564 6.425 1.00 0.00 C ATOM 680 CD LYS A 44 6.688 7.603 7.218 1.00 0.00 C ATOM 681 CE LYS A 44 6.140 6.206 7.463 1.00 0.00 C ATOM 682 NZ LYS A 44 6.117 5.864 8.912 1.00 0.00 N ATOM 0 H LYS A 44 5.593 8.197 3.784 1.00 0.00 H new ATOM 0 HA LYS A 44 6.945 9.766 5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.156 7.169 4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.719 7.960 4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.414 6.565 6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.705 8.248 6.872 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.860 8.100 8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.948 8.195 6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.131 6.136 7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.750 5.478 6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.223 4.836 9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.899 6.349 9.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.213 6.167 9.326 1.00 0.00 H new ATOM 696 N GLU A 45 8.042 9.853 2.639 1.00 0.00 N ATOM 697 CA GLU A 45 8.837 10.638 1.701 1.00 0.00 C ATOM 698 C GLU A 45 8.239 12.030 1.514 1.00 0.00 C ATOM 699 O GLU A 45 8.839 13.032 1.901 1.00 0.00 O ATOM 700 CB GLU A 45 8.924 9.924 0.350 1.00 0.00 C ATOM 701 CG GLU A 45 10.334 9.855 -0.211 1.00 0.00 C ATOM 702 CD GLU A 45 11.101 8.645 0.285 1.00 0.00 C ATOM 703 OE1 GLU A 45 11.580 8.678 1.437 1.00 0.00 O ATOM 704 OE2 GLU A 45 11.223 7.665 -0.480 1.00 0.00 O ATOM 0 H GLU A 45 7.594 9.033 2.231 1.00 0.00 H new ATOM 0 HA GLU A 45 9.840 10.744 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.535 8.912 0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.282 10.438 -0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.287 9.829 -1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.875 10.761 0.063 1.00 0.00 H new ATOM 711 N GLY A 46 7.052 12.084 0.918 1.00 0.00 N ATOM 712 CA GLY A 46 6.392 13.355 0.689 1.00 0.00 C ATOM 713 C GLY A 46 7.133 14.221 -0.312 1.00 0.00 C ATOM 714 O GLY A 46 7.500 15.357 -0.011 1.00 0.00 O ATOM 0 H GLY A 46 6.535 11.268 0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.379 13.175 0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.305 13.891 1.634 1.00 0.00 H new ATOM 718 N LEU A 47 7.355 13.682 -1.506 1.00 0.00 N ATOM 719 CA LEU A 47 8.059 14.411 -2.556 1.00 0.00 C ATOM 720 C LEU A 47 7.073 15.095 -3.498 1.00 0.00 C ATOM 721 O LEU A 47 7.382 16.126 -4.093 1.00 0.00 O ATOM 722 CB LEU A 47 8.962 13.463 -3.345 1.00 0.00 C ATOM 723 CG LEU A 47 8.335 12.136 -3.772 1.00 0.00 C ATOM 724 CD1 LEU A 47 8.969 11.634 -5.060 1.00 0.00 C ATOM 725 CD2 LEU A 47 8.476 11.100 -2.667 1.00 0.00 C ATOM 0 H LEU A 47 7.058 12.743 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 47 8.673 15.177 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.307 13.983 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.844 13.247 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 47 7.273 12.301 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.509 10.688 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.815 12.368 -5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.038 11.486 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.024 10.162 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.532 10.939 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.973 11.456 -1.768 1.00 0.00 H new ATOM 737 N GLU A 48 5.885 14.512 -3.628 1.00 0.00 N ATOM 738 CA GLU A 48 4.854 15.066 -4.497 1.00 0.00 C ATOM 739 C GLU A 48 3.674 14.106 -4.622 1.00 0.00 C ATOM 740 O GLU A 48 2.541 14.523 -4.868 1.00 0.00 O ATOM 741 CB GLU A 48 5.430 15.365 -5.882 1.00 0.00 C ATOM 742 CG GLU A 48 6.305 14.251 -6.431 1.00 0.00 C ATOM 743 CD GLU A 48 6.897 14.588 -7.787 1.00 0.00 C ATOM 744 OE1 GLU A 48 8.064 15.033 -7.829 1.00 0.00 O ATOM 745 OE2 GLU A 48 6.196 14.406 -8.803 1.00 0.00 O ATOM 0 H GLU A 48 5.613 13.657 -3.143 1.00 0.00 H new ATOM 0 HA GLU A 48 4.499 15.995 -4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.609 15.546 -6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.015 16.284 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.112 14.047 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.715 13.338 -6.513 1.00 0.00 H new ATOM 752 N THR A 49 3.947 12.816 -4.451 1.00 0.00 N ATOM 753 CA THR A 49 2.910 11.797 -4.545 1.00 0.00 C ATOM 754 C THR A 49 1.621 12.259 -3.877 1.00 0.00 C ATOM 755 O THR A 49 0.532 11.804 -4.224 1.00 0.00 O ATOM 756 CB THR A 49 3.363 10.473 -3.900 1.00 0.00 C ATOM 757 OG1 THR A 49 4.713 10.182 -4.277 1.00 0.00 O ATOM 758 CG2 THR A 49 2.456 9.327 -4.322 1.00 0.00 C ATOM 0 H THR A 49 4.878 12.453 -4.247 1.00 0.00 H new ATOM 0 HA THR A 49 2.726 11.632 -5.607 1.00 0.00 H new ATOM 0 HB THR A 49 3.303 10.583 -2.817 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.725 9.413 -4.884 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.796 8.403 -3.854 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.434 9.538 -4.009 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.488 9.218 -5.406 1.00 0.00 H new ATOM 766 N ALA A 50 1.751 13.167 -2.915 1.00 0.00 N ATOM 767 CA ALA A 50 0.596 13.694 -2.199 1.00 0.00 C ATOM 768 C ALA A 50 -0.284 12.566 -1.673 1.00 0.00 C ATOM 769 O ALA A 50 -1.445 12.783 -1.323 1.00 0.00 O ATOM 770 CB ALA A 50 -0.210 14.616 -3.103 1.00 0.00 C ATOM 0 H ALA A 50 2.646 13.553 -2.614 1.00 0.00 H new ATOM 0 HA ALA A 50 0.959 14.266 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.070 15.002 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.417 15.447 -3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.555 14.060 -3.975 1.00 0.00 H new ATOM 776 N ILE A 51 0.274 11.362 -1.618 1.00 0.00 N ATOM 777 CA ILE A 51 -0.460 10.200 -1.133 1.00 0.00 C ATOM 778 C ILE A 51 -1.928 10.269 -1.540 1.00 0.00 C ATOM 779 O ILE A 51 -2.775 10.726 -0.773 1.00 0.00 O ATOM 780 CB ILE A 51 -0.369 10.077 0.400 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.086 9.886 0.832 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.229 8.921 0.889 1.00 0.00 C ATOM 783 CD1 ILE A 51 2.007 10.986 0.355 1.00 0.00 C ATOM 0 H ILE A 51 1.233 11.165 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 51 0.000 9.323 -1.588 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.743 10.998 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.130 9.833 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.447 8.930 0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.155 8.846 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.267 9.095 0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.882 7.992 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.022 10.785 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.993 11.025 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.671 11.942 0.757 1.00 0.00 H new ATOM 795 N SER A 52 -2.222 9.809 -2.752 1.00 0.00 N ATOM 796 CA SER A 52 -3.587 9.820 -3.263 1.00 0.00 C ATOM 797 C SER A 52 -4.229 8.443 -3.127 1.00 0.00 C ATOM 798 O SER A 52 -3.544 7.420 -3.150 1.00 0.00 O ATOM 799 CB SER A 52 -3.603 10.260 -4.728 1.00 0.00 C ATOM 800 OG SER A 52 -2.308 10.638 -5.161 1.00 0.00 O ATOM 0 H SER A 52 -1.533 9.424 -3.398 1.00 0.00 H new ATOM 0 HA SER A 52 -4.164 10.531 -2.672 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.975 9.447 -5.351 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.290 11.097 -4.852 1.00 0.00 H new ATOM 0 HG SER A 52 -2.252 11.615 -5.210 1.00 0.00 H new ATOM 806 N CYS A 53 -5.550 8.425 -2.985 1.00 0.00 N ATOM 807 CA CYS A 53 -6.287 7.174 -2.845 1.00 0.00 C ATOM 808 C CYS A 53 -5.629 6.061 -3.653 1.00 0.00 C ATOM 809 O CYS A 53 -5.230 6.247 -4.803 1.00 0.00 O ATOM 810 CB CYS A 53 -7.738 7.359 -3.297 1.00 0.00 C ATOM 811 SG CYS A 53 -8.756 5.856 -3.160 1.00 0.00 S ATOM 0 H CYS A 53 -6.132 9.262 -2.964 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.275 6.890 -1.793 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.195 8.150 -2.702 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.744 7.696 -4.334 1.00 0.00 H new ATOM 0 HG CYS A 53 -9.922 6.071 -3.694 1.00 0.00 H new ATOM 816 N PRO A 54 -5.514 4.874 -3.040 1.00 0.00 N ATOM 817 CA PRO A 54 -4.904 3.706 -3.683 1.00 0.00 C ATOM 818 C PRO A 54 -5.769 3.149 -4.811 1.00 0.00 C ATOM 819 O PRO A 54 -5.432 2.135 -5.421 1.00 0.00 O ATOM 820 CB PRO A 54 -4.792 2.690 -2.544 1.00 0.00 C ATOM 821 CG PRO A 54 -5.859 3.082 -1.581 1.00 0.00 C ATOM 822 CD PRO A 54 -5.967 4.579 -1.670 1.00 0.00 C ATOM 0 HA PRO A 54 -3.949 3.950 -4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.939 1.672 -2.905 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.807 2.724 -2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.807 2.607 -1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.605 2.768 -0.568 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.989 4.919 -1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.342 5.072 -0.925 1.00 0.00 H new ATOM 830 N ASP A 55 -6.883 3.820 -5.082 1.00 0.00 N ATOM 831 CA ASP A 55 -7.795 3.394 -6.137 1.00 0.00 C ATOM 832 C ASP A 55 -7.772 4.375 -7.304 1.00 0.00 C ATOM 833 O ASP A 55 -8.553 5.325 -7.343 1.00 0.00 O ATOM 834 CB ASP A 55 -9.216 3.264 -5.590 1.00 0.00 C ATOM 835 CG ASP A 55 -10.223 2.918 -6.670 1.00 0.00 C ATOM 836 OD1 ASP A 55 -9.870 2.144 -7.584 1.00 0.00 O ATOM 837 OD2 ASP A 55 -11.364 3.422 -6.599 1.00 0.00 O ATOM 0 H ASP A 55 -7.176 4.661 -4.586 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.464 2.421 -6.499 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.236 2.494 -4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.506 4.201 -5.114 1.00 0.00 H new ATOM 842 N ALA A 56 -6.872 4.139 -8.252 1.00 0.00 N ATOM 843 CA ALA A 56 -6.750 5.003 -9.421 1.00 0.00 C ATOM 844 C ALA A 56 -8.076 5.113 -10.165 1.00 0.00 C ATOM 845 O ALA A 56 -8.246 5.972 -11.029 1.00 0.00 O ATOM 846 CB ALA A 56 -5.663 4.482 -10.351 1.00 0.00 C ATOM 0 H ALA A 56 -6.217 3.358 -8.234 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.473 6.000 -9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.583 5.136 -11.219 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.710 4.462 -9.822 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.917 3.474 -10.679 1.00 0.00 H new ATOM 852 N ALA A 57 -9.015 4.236 -9.823 1.00 0.00 N ATOM 853 CA ALA A 57 -10.327 4.235 -10.458 1.00 0.00 C ATOM 854 C ALA A 57 -11.379 4.856 -9.545 1.00 0.00 C ATOM 855 O ALA A 57 -12.579 4.680 -9.753 1.00 0.00 O ATOM 856 CB ALA A 57 -10.728 2.817 -10.839 1.00 0.00 C ATOM 0 H ALA A 57 -8.891 3.517 -9.110 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.266 4.840 -11.363 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.710 2.831 -11.312 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.996 2.406 -11.534 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.766 2.197 -9.944 1.00 0.00 H new ATOM 862 N CYS A 58 -10.920 5.585 -8.532 1.00 0.00 N ATOM 863 CA CYS A 58 -11.820 6.231 -7.586 1.00 0.00 C ATOM 864 C CYS A 58 -12.546 7.404 -8.240 1.00 0.00 C ATOM 865 O CYS A 58 -11.947 8.232 -8.927 1.00 0.00 O ATOM 866 CB CYS A 58 -11.043 6.719 -6.361 1.00 0.00 C ATOM 867 SG CYS A 58 -12.093 7.150 -4.937 1.00 0.00 S ATOM 0 H CYS A 58 -9.929 5.742 -8.346 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.561 5.497 -7.270 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.339 5.944 -6.058 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.454 7.592 -6.642 1.00 0.00 H new ATOM 0 HG CYS A 58 -11.939 6.262 -4.000 1.00 0.00 H new ATOM 872 N PRO A 59 -13.869 7.477 -8.023 1.00 0.00 N ATOM 873 CA PRO A 59 -14.705 8.543 -8.582 1.00 0.00 C ATOM 874 C PRO A 59 -14.425 9.896 -7.938 1.00 0.00 C ATOM 875 O PRO A 59 -14.857 10.935 -8.438 1.00 0.00 O ATOM 876 CB PRO A 59 -16.128 8.081 -8.261 1.00 0.00 C ATOM 877 CG PRO A 59 -15.982 7.201 -7.068 1.00 0.00 C ATOM 878 CD PRO A 59 -14.647 6.524 -7.214 1.00 0.00 C ATOM 0 HA PRO A 59 -14.520 8.692 -9.646 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.781 8.928 -8.050 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.567 7.541 -9.100 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.026 7.782 -6.147 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.788 6.469 -7.022 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.180 6.343 -6.246 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.738 5.557 -7.709 1.00 0.00 H new ATOM 886 N LYS A 60 -13.699 9.879 -6.826 1.00 0.00 N ATOM 887 CA LYS A 60 -13.359 11.104 -6.113 1.00 0.00 C ATOM 888 C LYS A 60 -11.849 11.231 -5.938 1.00 0.00 C ATOM 889 O LYS A 60 -11.329 12.328 -5.731 1.00 0.00 O ATOM 890 CB LYS A 60 -14.047 11.132 -4.746 1.00 0.00 C ATOM 891 CG LYS A 60 -15.257 12.047 -4.693 1.00 0.00 C ATOM 892 CD LYS A 60 -14.950 13.336 -3.949 1.00 0.00 C ATOM 893 CE LYS A 60 -14.485 14.430 -4.897 1.00 0.00 C ATOM 894 NZ LYS A 60 -15.468 15.545 -4.983 1.00 0.00 N ATOM 0 H LYS A 60 -13.334 9.028 -6.398 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.710 11.949 -6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.355 10.120 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.327 11.452 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.583 12.280 -5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -16.083 11.531 -4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.840 13.670 -3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.180 13.150 -3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.524 14.818 -4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.327 14.008 -5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.114 16.270 -5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.378 15.180 -5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.600 15.965 -4.041 1.00 0.00 H new ATOM 908 N GLN A 61 -11.151 10.103 -6.022 1.00 0.00 N ATOM 909 CA GLN A 61 -9.701 10.089 -5.872 1.00 0.00 C ATOM 910 C GLN A 61 -9.247 11.139 -4.863 1.00 0.00 C ATOM 911 O GLN A 61 -8.675 12.164 -5.233 1.00 0.00 O ATOM 912 CB GLN A 61 -9.026 10.338 -7.222 1.00 0.00 C ATOM 913 CG GLN A 61 -9.817 9.806 -8.406 1.00 0.00 C ATOM 914 CD GLN A 61 -9.341 10.373 -9.729 1.00 0.00 C ATOM 915 OE1 GLN A 61 -10.133 10.585 -10.648 1.00 0.00 O ATOM 916 NE2 GLN A 61 -8.041 10.620 -9.833 1.00 0.00 N ATOM 0 H GLN A 61 -11.566 9.187 -6.193 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.409 9.106 -5.502 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.873 11.410 -7.350 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.040 9.874 -7.217 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.738 8.719 -8.432 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.872 10.046 -8.271 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.421 10.429 -9.046 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.662 11.001 -10.700 1.00 0.00 H new ATOM 925 N GLY A 62 -9.508 10.877 -3.586 1.00 0.00 N ATOM 926 CA GLY A 62 -9.121 11.809 -2.542 1.00 0.00 C ATOM 927 C GLY A 62 -7.695 11.593 -2.074 1.00 0.00 C ATOM 928 O GLY A 62 -7.143 10.503 -2.223 1.00 0.00 O ATOM 0 H GLY A 62 -9.981 10.036 -3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.229 12.829 -2.911 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.799 11.703 -1.695 1.00 0.00 H new ATOM 932 N HIS A 63 -7.097 12.637 -1.508 1.00 0.00 N ATOM 933 CA HIS A 63 -5.726 12.558 -1.017 1.00 0.00 C ATOM 934 C HIS A 63 -5.702 12.313 0.490 1.00 0.00 C ATOM 935 O HIS A 63 -6.713 12.480 1.173 1.00 0.00 O ATOM 936 CB HIS A 63 -4.968 13.844 -1.347 1.00 0.00 C ATOM 937 CG HIS A 63 -4.441 13.885 -2.749 1.00 0.00 C ATOM 938 ND1 HIS A 63 -4.851 14.816 -3.680 1.00 0.00 N ATOM 939 CD2 HIS A 63 -3.531 13.103 -3.375 1.00 0.00 C ATOM 940 CE1 HIS A 63 -4.216 14.604 -4.819 1.00 0.00 C ATOM 941 NE2 HIS A 63 -3.409 13.571 -4.661 1.00 0.00 N ATOM 0 H HIS A 63 -7.540 13.547 -1.378 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.237 11.719 -1.513 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.629 14.696 -1.191 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.136 13.955 -0.651 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -5.537 15.553 -3.515 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.000 12.267 -2.944 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.337 15.178 -5.726 1.00 0.00 H new ATOM 949 N LEU A 64 -4.542 11.914 1.000 1.00 0.00 N ATOM 950 CA LEU A 64 -4.386 11.644 2.425 1.00 0.00 C ATOM 951 C LEU A 64 -3.537 12.721 3.093 1.00 0.00 C ATOM 952 O LEU A 64 -2.807 13.452 2.425 1.00 0.00 O ATOM 953 CB LEU A 64 -3.747 10.270 2.638 1.00 0.00 C ATOM 954 CG LEU A 64 -4.579 9.067 2.192 1.00 0.00 C ATOM 955 CD1 LEU A 64 -5.536 8.642 3.296 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.344 9.390 0.917 1.00 0.00 C ATOM 0 H LEU A 64 -3.696 11.770 0.448 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.376 11.652 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.797 10.247 2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.521 10.157 3.698 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.902 8.238 1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.120 7.785 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.968 8.369 4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.207 9.468 3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.930 8.522 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.010 10.234 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.640 9.646 0.125 1.00 0.00 H new ATOM 968 N GLN A 65 -3.638 12.812 4.415 1.00 0.00 N ATOM 969 CA GLN A 65 -2.879 13.798 5.174 1.00 0.00 C ATOM 970 C GLN A 65 -1.500 13.258 5.541 1.00 0.00 C ATOM 971 O GLN A 65 -1.288 12.047 5.583 1.00 0.00 O ATOM 972 CB GLN A 65 -3.638 14.194 6.441 1.00 0.00 C ATOM 973 CG GLN A 65 -5.092 13.754 6.441 1.00 0.00 C ATOM 974 CD GLN A 65 -5.266 12.315 6.889 1.00 0.00 C ATOM 975 OE1 GLN A 65 -6.347 11.912 7.319 1.00 0.00 O ATOM 976 NE2 GLN A 65 -4.199 11.531 6.790 1.00 0.00 N ATOM 0 H GLN A 65 -4.239 12.214 4.983 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.749 14.680 4.547 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.136 13.760 7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.595 15.277 6.557 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.665 14.407 7.099 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.503 13.871 5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.322 11.906 6.428 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.256 10.554 7.076 1.00 0.00 H new ATOM 985 N GLU A 66 -0.566 14.167 5.807 1.00 0.00 N ATOM 986 CA GLU A 66 0.792 13.781 6.169 1.00 0.00 C ATOM 987 C GLU A 66 0.937 13.655 7.683 1.00 0.00 C ATOM 988 O GLU A 66 1.851 12.996 8.178 1.00 0.00 O ATOM 989 CB GLU A 66 1.797 14.803 5.634 1.00 0.00 C ATOM 990 CG GLU A 66 2.237 14.533 4.205 1.00 0.00 C ATOM 991 CD GLU A 66 3.706 14.833 3.979 1.00 0.00 C ATOM 992 OE1 GLU A 66 4.551 14.022 4.413 1.00 0.00 O ATOM 993 OE2 GLU A 66 4.011 15.880 3.370 1.00 0.00 O ATOM 0 H GLU A 66 -0.725 15.174 5.778 1.00 0.00 H new ATOM 0 HA GLU A 66 0.997 12.810 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.354 15.798 5.687 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.675 14.810 6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.042 13.489 3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.638 15.138 3.524 1.00 0.00 H new ATOM 1000 N ASN A 67 0.028 14.293 8.413 1.00 0.00 N ATOM 1001 CA ASN A 67 0.053 14.254 9.871 1.00 0.00 C ATOM 1002 C ASN A 67 -0.809 13.112 10.401 1.00 0.00 C ATOM 1003 O ASN A 67 -0.364 12.317 11.227 1.00 0.00 O ATOM 1004 CB ASN A 67 -0.435 15.585 10.446 1.00 0.00 C ATOM 1005 CG ASN A 67 -1.915 15.812 10.205 1.00 0.00 C ATOM 1006 OD1 ASN A 67 -2.416 15.589 9.104 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -2.621 16.256 11.238 1.00 0.00 N ATOM 0 H ASN A 67 -0.735 14.843 8.019 1.00 0.00 H new ATOM 0 HA ASN A 67 1.082 14.085 10.187 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.236 15.609 11.517 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.132 16.401 9.998 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.622 16.426 11.137 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.163 16.427 12.133 1.00 0.00 H new ATOM 1014 N GLU A 68 -2.045 13.038 9.917 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.970 11.993 10.341 1.00 0.00 C ATOM 1016 C GLU A 68 -2.388 10.609 10.070 1.00 0.00 C ATOM 1017 O GLU A 68 -2.096 9.854 10.998 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.311 12.146 9.622 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.469 12.459 10.554 1.00 0.00 C ATOM 1020 CD GLU A 68 -6.337 11.248 10.835 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -6.197 10.659 11.927 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -7.157 10.890 9.963 1.00 0.00 O ATOM 0 H GLU A 68 -2.429 13.689 9.232 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.129 12.097 11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.227 12.941 8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.530 11.226 9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.078 12.847 11.495 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.082 13.246 10.114 1.00 0.00 H new ATOM 1029 N ILE A 69 -2.223 10.284 8.792 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.677 8.991 8.398 1.00 0.00 C ATOM 1031 C ILE A 69 -0.463 8.626 9.245 1.00 0.00 C ATOM 1032 O ILE A 69 -0.472 7.626 9.962 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.274 8.979 6.912 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.517 9.059 6.023 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.466 7.731 6.591 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.458 8.147 4.818 1.00 0.00 C ATOM 0 H ILE A 69 -2.459 10.898 8.012 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.464 8.254 8.558 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.651 9.851 6.713 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.395 8.806 6.617 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.646 10.087 5.684 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.189 7.738 5.537 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.436 7.714 7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.065 6.845 6.803 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.372 8.256 4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.599 8.413 4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.360 7.113 5.149 1.00 0.00 H new ATOM 1048 N GLU A 70 0.581 9.446 9.159 1.00 0.00 N ATOM 1049 CA GLU A 70 1.803 9.209 9.918 1.00 0.00 C ATOM 1050 C GLU A 70 1.492 9.006 11.398 1.00 0.00 C ATOM 1051 O GLU A 70 2.311 8.474 12.148 1.00 0.00 O ATOM 1052 CB GLU A 70 2.772 10.379 9.744 1.00 0.00 C ATOM 1053 CG GLU A 70 2.427 11.588 10.599 1.00 0.00 C ATOM 1054 CD GLU A 70 3.572 12.576 10.701 1.00 0.00 C ATOM 1055 OE1 GLU A 70 3.299 13.783 10.872 1.00 0.00 O ATOM 1056 OE2 GLU A 70 4.739 12.145 10.608 1.00 0.00 O ATOM 0 H GLU A 70 0.604 10.279 8.571 1.00 0.00 H new ATOM 0 HA GLU A 70 2.269 8.301 9.535 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.780 10.045 9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.784 10.677 8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.556 12.090 10.178 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.150 11.254 11.599 1.00 0.00 H new ATOM 1063 N CYS A 71 0.304 9.436 11.811 1.00 0.00 N ATOM 1064 CA CYS A 71 -0.115 9.304 13.202 1.00 0.00 C ATOM 1065 C CYS A 71 -0.499 7.863 13.519 1.00 0.00 C ATOM 1066 O CYS A 71 -0.334 7.399 14.648 1.00 0.00 O ATOM 1067 CB CYS A 71 -1.293 10.235 13.492 1.00 0.00 C ATOM 1068 SG CYS A 71 -1.218 11.039 15.110 1.00 0.00 S ATOM 0 H CYS A 71 -0.385 9.878 11.203 1.00 0.00 H new ATOM 0 HA CYS A 71 0.725 9.585 13.837 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.335 11.002 12.719 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.219 9.664 13.425 1.00 0.00 H new ATOM 0 HG CYS A 71 -2.256 11.807 15.261 1.00 0.00 H new ATOM 1074 N MET A 72 -1.015 7.159 12.517 1.00 0.00 N ATOM 1075 CA MET A 72 -1.423 5.769 12.690 1.00 0.00 C ATOM 1076 C MET A 72 -0.264 4.821 12.399 1.00 0.00 C ATOM 1077 O MET A 72 -0.414 3.602 12.471 1.00 0.00 O ATOM 1078 CB MET A 72 -2.605 5.446 11.774 1.00 0.00 C ATOM 1079 CG MET A 72 -2.190 4.979 10.387 1.00 0.00 C ATOM 1080 SD MET A 72 -3.122 5.789 9.074 1.00 0.00 S ATOM 1081 CE MET A 72 -3.049 4.542 7.789 1.00 0.00 C ATOM 0 H MET A 72 -1.161 7.528 11.577 1.00 0.00 H new ATOM 0 HA MET A 72 -1.728 5.632 13.727 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.215 4.673 12.241 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.232 6.332 11.677 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.127 5.173 10.246 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.330 3.900 10.314 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.583 4.896 6.907 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.008 4.348 7.529 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.511 3.622 8.148 1.00 0.00 H new ATOM 1091 N VAL A 73 0.891 5.390 12.069 1.00 0.00 N ATOM 1092 CA VAL A 73 2.075 4.596 11.768 1.00 0.00 C ATOM 1093 C VAL A 73 3.308 5.161 12.463 1.00 0.00 C ATOM 1094 O VAL A 73 3.949 4.481 13.264 1.00 0.00 O ATOM 1095 CB VAL A 73 2.339 4.533 10.251 1.00 0.00 C ATOM 1096 CG1 VAL A 73 1.395 3.543 9.586 1.00 0.00 C ATOM 1097 CG2 VAL A 73 2.200 5.914 9.629 1.00 0.00 C ATOM 0 H VAL A 73 1.031 6.398 12.003 1.00 0.00 H new ATOM 0 HA VAL A 73 1.882 3.589 12.138 1.00 0.00 H new ATOM 0 HB VAL A 73 3.361 4.188 10.091 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.596 3.512 8.515 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.548 2.552 10.013 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.364 3.855 9.753 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.390 5.851 8.557 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.190 6.289 9.797 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.920 6.593 10.086 1.00 0.00 H new ATOM 1107 N ALA A 74 3.635 6.412 12.154 1.00 0.00 N ATOM 1108 CA ALA A 74 4.790 7.070 12.751 1.00 0.00 C ATOM 1109 C ALA A 74 4.411 7.766 14.053 1.00 0.00 C ATOM 1110 O ALA A 74 5.181 8.564 14.589 1.00 0.00 O ATOM 1111 CB ALA A 74 5.393 8.068 11.773 1.00 0.00 C ATOM 0 H ALA A 74 3.116 6.990 11.493 1.00 0.00 H new ATOM 0 HA ALA A 74 5.534 6.307 12.980 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.255 8.552 12.232 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.708 7.547 10.869 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.648 8.821 11.516 1.00 0.00 H new ATOM 1117 N ALA A 75 3.221 7.461 14.559 1.00 0.00 N ATOM 1118 CA ALA A 75 2.741 8.056 15.800 1.00 0.00 C ATOM 1119 C ALA A 75 3.870 8.187 16.817 1.00 0.00 C ATOM 1120 O ALA A 75 3.862 9.133 17.604 1.00 0.00 O ATOM 1121 CB ALA A 75 1.601 7.230 16.376 1.00 0.00 C ATOM 0 H ALA A 75 2.571 6.804 14.128 1.00 0.00 H new ATOM 0 HA ALA A 75 2.371 9.056 15.576 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.253 7.687 17.303 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.781 7.193 15.659 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.951 6.218 16.579 1.00 0.00 H new