USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 694 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 73 CYS SG : rot 72:sc= 0.192 USER MOD Set 1.2: A 96 GLN : amide:sc= -0.217 X(o=-0.026,f=0.015) USER MOD Single : A 11 MET CE :methyl -149:sc= -0.189 (180deg=-1.86!) USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= 0.667 (180deg=-0.883) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.63 K(o=-0.63,f=-0.0037) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0294 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0429 X(o=-0.043,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -162:sc= -2.2 (180deg=-3.24) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.296 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 50:sc= 0.999 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0337 USER MOD Single : A 82 TYR OH : rot 107:sc= 1.3 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.738 K(o=0.74,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 166:sc= 0.186 USER MOD Single : A 98 MET CE :methyl -179:sc= -0.514 (180deg=-0.516) USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 7 -10.308 4.610 1.085 1.00 0.00 N ATOM 74 CA PRO A 7 -9.051 4.423 0.346 1.00 0.00 C ATOM 75 C PRO A 7 -8.486 3.011 0.561 1.00 0.00 C ATOM 76 O PRO A 7 -7.513 2.829 1.290 1.00 0.00 O ATOM 77 CB PRO A 7 -8.114 5.508 0.904 1.00 0.00 C ATOM 78 CG PRO A 7 -8.583 5.579 2.359 1.00 0.00 C ATOM 79 CD PRO A 7 -10.092 5.514 2.205 1.00 0.00 C ATOM 0 HA PRO A 7 -9.182 4.516 -0.732 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.064 5.228 0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -8.231 6.460 0.386 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.197 4.751 2.953 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.262 6.499 2.847 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.567 5.142 3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.513 6.500 2.006 1.00 0.00 H new ATOM 87 N VAL A 8 -9.116 1.985 0.000 1.00 0.00 N ATOM 88 CA VAL A 8 -8.788 0.593 0.318 1.00 0.00 C ATOM 89 C VAL A 8 -8.680 -0.217 -0.970 1.00 0.00 C ATOM 90 O VAL A 8 -9.370 0.035 -1.956 1.00 0.00 O ATOM 91 CB VAL A 8 -9.821 0.009 1.308 1.00 0.00 C ATOM 92 CG1 VAL A 8 -9.391 -1.373 1.814 1.00 0.00 C ATOM 93 CG2 VAL A 8 -9.997 0.885 2.558 1.00 0.00 C ATOM 0 H VAL A 8 -9.865 2.089 -0.685 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.819 0.544 0.814 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.753 -0.043 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.139 -1.755 2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.296 -2.056 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.431 -1.291 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.733 0.430 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.044 0.971 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.339 1.877 2.262 1.00 0.00 H new ATOM 103 N VAL A 9 -7.786 -1.200 -0.968 1.00 0.00 N ATOM 104 CA VAL A 9 -7.602 -2.110 -2.083 1.00 0.00 C ATOM 105 C VAL A 9 -8.836 -3.019 -2.239 1.00 0.00 C ATOM 106 O VAL A 9 -9.300 -3.642 -1.281 1.00 0.00 O ATOM 107 CB VAL A 9 -6.253 -2.841 -1.884 1.00 0.00 C ATOM 108 CG1 VAL A 9 -6.144 -3.747 -0.651 1.00 0.00 C ATOM 109 CG2 VAL A 9 -5.826 -3.581 -3.156 1.00 0.00 C ATOM 0 H VAL A 9 -7.164 -1.386 -0.181 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.535 -1.588 -3.037 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.551 -2.033 -1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.154 -4.203 -0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.298 -3.154 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.902 -4.529 -0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.875 -4.084 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.584 -4.319 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.715 -2.867 -3.972 1.00 0.00 H new ATOM 119 N GLY A 10 -9.345 -3.158 -3.463 1.00 0.00 N ATOM 120 CA GLY A 10 -10.371 -4.134 -3.812 1.00 0.00 C ATOM 121 C GLY A 10 -10.310 -4.423 -5.298 1.00 0.00 C ATOM 122 O GLY A 10 -11.037 -3.803 -6.072 1.00 0.00 O ATOM 0 H GLY A 10 -9.049 -2.584 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.221 -5.053 -3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.357 -3.752 -3.545 1.00 0.00 H new ATOM 126 N MET A 11 -9.401 -5.316 -5.696 1.00 0.00 N ATOM 127 CA MET A 11 -9.101 -5.672 -7.083 1.00 0.00 C ATOM 128 C MET A 11 -8.905 -4.431 -7.963 1.00 0.00 C ATOM 129 O MET A 11 -9.253 -4.446 -9.144 1.00 0.00 O ATOM 130 CB MET A 11 -10.183 -6.608 -7.647 1.00 0.00 C ATOM 131 CG MET A 11 -10.396 -7.912 -6.876 1.00 0.00 C ATOM 132 SD MET A 11 -11.576 -7.812 -5.496 1.00 0.00 S ATOM 133 CE MET A 11 -10.488 -8.226 -4.113 1.00 0.00 C ATOM 0 H MET A 11 -8.829 -5.834 -5.029 1.00 0.00 H new ATOM 0 HA MET A 11 -8.153 -6.210 -7.092 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.128 -6.066 -7.676 1.00 0.00 H new ATOM 0 HB3 MET A 11 -9.925 -6.854 -8.677 1.00 0.00 H new ATOM 0 HG2 MET A 11 -10.741 -8.675 -7.573 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.434 -8.247 -6.487 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.061 -8.736 -3.339 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.688 -8.879 -4.462 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.058 -7.313 -3.703 1.00 0.00 H new ATOM 143 N ASP A 12 -8.444 -3.321 -7.385 1.00 0.00 N ATOM 144 CA ASP A 12 -8.333 -2.042 -8.066 1.00 0.00 C ATOM 145 C ASP A 12 -7.138 -1.306 -7.485 1.00 0.00 C ATOM 146 O ASP A 12 -7.069 -1.098 -6.270 1.00 0.00 O ATOM 147 CB ASP A 12 -9.610 -1.208 -7.866 1.00 0.00 C ATOM 148 CG ASP A 12 -9.695 -0.090 -8.907 1.00 0.00 C ATOM 149 OD1 ASP A 12 -8.636 0.399 -9.362 1.00 0.00 O ATOM 150 OD2 ASP A 12 -10.811 0.193 -9.388 1.00 0.00 O ATOM 0 H ASP A 12 -8.133 -3.291 -6.414 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.202 -2.202 -9.136 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.486 -1.851 -7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.617 -0.780 -6.864 1.00 0.00 H new ATOM 155 N LYS A 13 -6.173 -0.938 -8.326 1.00 0.00 N ATOM 156 CA LYS A 13 -5.174 0.063 -8.019 1.00 0.00 C ATOM 157 C LYS A 13 -5.523 1.316 -8.812 1.00 0.00 C ATOM 158 O LYS A 13 -5.180 1.402 -9.990 1.00 0.00 O ATOM 159 CB LYS A 13 -3.768 -0.495 -8.269 1.00 0.00 C ATOM 160 CG LYS A 13 -3.501 -1.817 -7.534 1.00 0.00 C ATOM 161 CD LYS A 13 -3.585 -1.687 -6.007 1.00 0.00 C ATOM 162 CE LYS A 13 -3.283 -2.978 -5.253 1.00 0.00 C ATOM 163 NZ LYS A 13 -2.001 -3.595 -5.650 1.00 0.00 N ATOM 0 H LYS A 13 -6.069 -1.341 -9.257 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.171 0.338 -6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.630 -0.648 -9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.030 0.243 -7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.221 -2.563 -7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.512 -2.184 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.887 -0.916 -5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.585 -1.347 -5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.264 -2.771 -4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.091 -3.690 -5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.584 -4.085 -4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.167 -4.279 -6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.348 -2.856 -5.982 1.00 0.00 H new ATOM 177 N SER A 14 -6.244 2.238 -8.170 1.00 0.00 N ATOM 178 CA SER A 14 -6.604 3.556 -8.685 1.00 0.00 C ATOM 179 C SER A 14 -7.148 4.456 -7.547 1.00 0.00 C ATOM 180 O SER A 14 -7.940 5.364 -7.798 1.00 0.00 O ATOM 181 CB SER A 14 -7.628 3.383 -9.825 1.00 0.00 C ATOM 182 OG SER A 14 -7.427 4.364 -10.819 1.00 0.00 O ATOM 0 H SER A 14 -6.609 2.075 -7.232 1.00 0.00 H new ATOM 0 HA SER A 14 -5.721 4.055 -9.085 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.532 2.389 -10.261 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.640 3.460 -9.428 1.00 0.00 H new ATOM 0 HG SER A 14 -8.083 4.241 -11.537 1.00 0.00 H new ATOM 188 N LEU A 15 -6.864 4.139 -6.272 1.00 0.00 N ATOM 189 CA LEU A 15 -7.528 4.737 -5.106 1.00 0.00 C ATOM 190 C LEU A 15 -6.645 4.639 -3.845 1.00 0.00 C ATOM 191 O LEU A 15 -6.991 3.908 -2.920 1.00 0.00 O ATOM 192 CB LEU A 15 -8.936 4.139 -4.877 1.00 0.00 C ATOM 193 CG LEU A 15 -9.070 2.606 -5.011 1.00 0.00 C ATOM 194 CD1 LEU A 15 -10.268 2.095 -4.217 1.00 0.00 C ATOM 195 CD2 LEU A 15 -9.272 2.182 -6.477 1.00 0.00 C ATOM 0 H LEU A 15 -6.156 3.449 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.669 5.797 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.268 4.423 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.622 4.604 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.144 2.180 -4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.342 1.013 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.140 2.345 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.179 2.561 -4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.362 1.097 -6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.180 2.642 -6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.417 2.506 -7.071 1.00 0.00 H new ATOM 207 N PHE A 16 -5.481 5.313 -3.820 1.00 0.00 N ATOM 208 CA PHE A 16 -4.598 5.307 -2.635 1.00 0.00 C ATOM 209 C PHE A 16 -3.938 6.646 -2.293 1.00 0.00 C ATOM 210 O PHE A 16 -3.383 6.755 -1.197 1.00 0.00 O ATOM 211 CB PHE A 16 -3.504 4.231 -2.725 1.00 0.00 C ATOM 212 CG PHE A 16 -4.013 2.828 -2.885 1.00 0.00 C ATOM 213 CD1 PHE A 16 -4.490 2.399 -4.134 1.00 0.00 C ATOM 214 CD2 PHE A 16 -4.076 1.987 -1.765 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.103 1.147 -4.238 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.608 0.694 -1.897 1.00 0.00 C ATOM 217 CZ PHE A 16 -5.133 0.290 -3.136 1.00 0.00 C ATOM 0 H PHE A 16 -5.130 5.866 -4.601 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.291 5.080 -1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.853 4.465 -3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.891 4.280 -1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.384 3.029 -5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.717 2.332 -0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.554 0.842 -5.171 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.613 0.017 -1.055 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.565 -0.695 -3.237 1.00 0.00 H new ATOM 227 N ALA A 17 -4.004 7.667 -3.155 1.00 0.00 N ATOM 228 CA ALA A 17 -3.396 8.982 -2.908 1.00 0.00 C ATOM 229 C ALA A 17 -4.437 10.068 -2.657 1.00 0.00 C ATOM 230 O ALA A 17 -4.143 11.258 -2.733 1.00 0.00 O ATOM 231 CB ALA A 17 -2.431 9.339 -4.047 1.00 0.00 C ATOM 0 H ALA A 17 -4.485 7.604 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.818 8.920 -1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.986 10.315 -3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.644 8.587 -4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.977 9.369 -4.990 1.00 0.00 H new ATOM 237 N GLY A 18 -5.655 9.650 -2.342 1.00 0.00 N ATOM 238 CA GLY A 18 -6.836 10.495 -2.296 1.00 0.00 C ATOM 239 C GLY A 18 -7.431 10.681 -0.903 1.00 0.00 C ATOM 240 O GLY A 18 -8.365 11.470 -0.768 1.00 0.00 O ATOM 0 H GLY A 18 -5.853 8.678 -2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.582 11.474 -2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.598 10.068 -2.948 1.00 0.00 H new ATOM 244 N ASN A 19 -6.956 9.983 0.133 1.00 0.00 N ATOM 245 CA ASN A 19 -7.322 10.271 1.515 1.00 0.00 C ATOM 246 C ASN A 19 -6.097 10.171 2.398 1.00 0.00 C ATOM 247 O ASN A 19 -5.682 9.065 2.702 1.00 0.00 O ATOM 248 CB ASN A 19 -8.338 9.262 2.035 1.00 0.00 C ATOM 249 CG ASN A 19 -8.697 9.636 3.464 1.00 0.00 C ATOM 250 OD1 ASN A 19 -9.193 10.730 3.711 1.00 0.00 O ATOM 251 ND2 ASN A 19 -8.408 8.774 4.424 1.00 0.00 N ATOM 0 H ASN A 19 -6.307 9.203 0.033 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.748 11.274 1.540 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.229 9.263 1.407 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.924 8.254 1.999 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.597 9.012 5.398 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.996 7.871 4.191 1.00 0.00 H new ATOM 258 N THR A 20 -5.529 11.272 2.848 1.00 0.00 N ATOM 259 CA THR A 20 -4.217 11.316 3.491 1.00 0.00 C ATOM 260 C THR A 20 -4.158 10.726 4.915 1.00 0.00 C ATOM 261 O THR A 20 -3.141 10.863 5.593 1.00 0.00 O ATOM 262 CB THR A 20 -3.753 12.776 3.456 1.00 0.00 C ATOM 263 OG1 THR A 20 -4.740 13.595 4.054 1.00 0.00 O ATOM 264 CG2 THR A 20 -3.526 13.237 2.014 1.00 0.00 C ATOM 0 H THR A 20 -5.973 12.188 2.778 1.00 0.00 H new ATOM 0 HA THR A 20 -3.544 10.663 2.935 1.00 0.00 H new ATOM 0 HB THR A 20 -2.814 12.856 4.003 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.445 14.529 4.035 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.197 14.276 2.012 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.762 12.614 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.457 13.150 1.453 1.00 0.00 H new ATOM 272 N VAL A 21 -5.218 10.061 5.376 1.00 0.00 N ATOM 273 CA VAL A 21 -5.566 9.769 6.772 1.00 0.00 C ATOM 274 C VAL A 21 -5.751 8.245 6.948 1.00 0.00 C ATOM 275 O VAL A 21 -6.667 7.760 7.627 1.00 0.00 O ATOM 276 CB VAL A 21 -6.788 10.629 7.200 1.00 0.00 C ATOM 277 CG1 VAL A 21 -6.905 10.731 8.733 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.759 12.068 6.658 1.00 0.00 C ATOM 0 H VAL A 21 -5.913 9.681 4.733 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.760 10.051 7.449 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.641 10.104 6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.771 11.340 8.992 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.023 9.733 9.156 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.004 11.192 9.137 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.645 12.604 7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.865 12.576 7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.747 12.046 5.568 1.00 0.00 H new ATOM 288 N ILE A 22 -4.884 7.480 6.290 1.00 0.00 N ATOM 289 CA ILE A 22 -4.779 6.025 6.293 1.00 0.00 C ATOM 290 C ILE A 22 -3.323 5.695 6.604 1.00 0.00 C ATOM 291 O ILE A 22 -2.450 5.763 5.735 1.00 0.00 O ATOM 292 CB ILE A 22 -5.343 5.421 4.983 1.00 0.00 C ATOM 293 CG1 ILE A 22 -5.001 3.929 4.818 1.00 0.00 C ATOM 294 CG2 ILE A 22 -4.989 6.192 3.693 1.00 0.00 C ATOM 295 CD1 ILE A 22 -5.684 3.320 3.593 1.00 0.00 C ATOM 0 H ILE A 22 -4.175 7.900 5.689 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.397 5.559 7.060 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.420 5.526 5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.921 3.812 4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.307 3.385 5.712 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.431 5.687 2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.379 7.208 3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.906 6.226 3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.416 2.266 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.765 3.413 3.695 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.358 3.846 2.696 1.00 0.00 H new ATOM 307 N ARG A 23 -3.059 5.418 7.881 1.00 0.00 N ATOM 308 CA ARG A 23 -1.714 5.263 8.426 1.00 0.00 C ATOM 309 C ARG A 23 -1.132 3.892 8.100 1.00 0.00 C ATOM 310 O ARG A 23 0.074 3.703 8.281 1.00 0.00 O ATOM 311 CB ARG A 23 -1.724 5.520 9.942 1.00 0.00 C ATOM 312 CG ARG A 23 -2.222 6.933 10.282 1.00 0.00 C ATOM 313 CD ARG A 23 -2.148 7.206 11.786 1.00 0.00 C ATOM 314 NE ARG A 23 -2.891 8.433 12.130 1.00 0.00 N ATOM 315 CZ ARG A 23 -3.686 8.589 13.196 1.00 0.00 C ATOM 316 NH1 ARG A 23 -3.624 7.742 14.213 1.00 0.00 N ATOM 317 NH2 ARG A 23 -4.564 9.583 13.242 1.00 0.00 N ATOM 0 H ARG A 23 -3.792 5.293 8.579 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.068 6.003 7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.362 4.783 10.431 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.718 5.384 10.340 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.623 7.670 9.747 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.250 7.050 9.940 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.560 6.359 12.335 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.107 7.308 12.091 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.791 9.231 11.502 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.966 6.963 14.188 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.234 7.869 15.021 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.637 10.235 12.461 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.166 9.695 14.058 1.00 0.00 H new ATOM 331 N GLU A 24 -1.964 2.960 7.640 1.00 0.00 N ATOM 332 CA GLU A 24 -1.642 1.563 7.406 1.00 0.00 C ATOM 333 C GLU A 24 -2.415 1.125 6.166 1.00 0.00 C ATOM 334 O GLU A 24 -3.647 1.214 6.142 1.00 0.00 O ATOM 335 CB GLU A 24 -2.047 0.670 8.598 1.00 0.00 C ATOM 336 CG GLU A 24 -1.238 0.892 9.887 1.00 0.00 C ATOM 337 CD GLU A 24 -0.952 -0.429 10.609 1.00 0.00 C ATOM 338 OE1 GLU A 24 -1.896 -1.003 11.196 1.00 0.00 O ATOM 339 OE2 GLU A 24 0.182 -0.954 10.545 1.00 0.00 O ATOM 0 H GLU A 24 -2.934 3.176 7.409 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.565 1.459 7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.101 0.839 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.946 -0.374 8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.297 1.386 9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.787 1.559 10.552 1.00 0.00 H new ATOM 346 N ILE A 25 -1.706 0.663 5.137 1.00 0.00 N ATOM 347 CA ILE A 25 -2.301 0.124 3.919 1.00 0.00 C ATOM 348 C ILE A 25 -2.002 -1.372 3.905 1.00 0.00 C ATOM 349 O ILE A 25 -0.880 -1.795 3.636 1.00 0.00 O ATOM 350 CB ILE A 25 -1.828 0.882 2.656 1.00 0.00 C ATOM 351 CG1 ILE A 25 -2.182 2.380 2.775 1.00 0.00 C ATOM 352 CG2 ILE A 25 -2.476 0.274 1.389 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.526 3.275 1.720 1.00 0.00 C ATOM 0 H ILE A 25 -0.686 0.653 5.128 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.381 0.268 3.908 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.746 0.783 2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.264 2.491 2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.889 2.732 3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.134 0.818 0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.191 -0.774 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.561 0.350 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.830 4.309 1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.442 3.199 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.838 2.955 0.726 1.00 0.00 H new ATOM 365 N THR A 26 -2.991 -2.189 4.227 1.00 0.00 N ATOM 366 CA THR A 26 -2.896 -3.622 3.985 1.00 0.00 C ATOM 367 C THR A 26 -3.028 -3.845 2.468 1.00 0.00 C ATOM 368 O THR A 26 -3.781 -3.139 1.791 1.00 0.00 O ATOM 369 CB THR A 26 -3.958 -4.368 4.816 1.00 0.00 C ATOM 370 OG1 THR A 26 -3.896 -3.941 6.167 1.00 0.00 O ATOM 371 CG2 THR A 26 -3.731 -5.885 4.783 1.00 0.00 C ATOM 0 H THR A 26 -3.866 -1.888 4.655 1.00 0.00 H new ATOM 0 HA THR A 26 -1.936 -4.027 4.305 1.00 0.00 H new ATOM 0 HB THR A 26 -4.932 -4.143 4.383 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.574 -4.416 6.692 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.497 -6.381 5.379 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.787 -6.239 3.754 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.748 -6.115 5.193 1.00 0.00 H new ATOM 379 N VAL A 27 -2.291 -4.812 1.924 1.00 0.00 N ATOM 380 CA VAL A 27 -2.361 -5.313 0.558 1.00 0.00 C ATOM 381 C VAL A 27 -2.205 -6.833 0.649 1.00 0.00 C ATOM 382 O VAL A 27 -1.665 -7.352 1.627 1.00 0.00 O ATOM 383 CB VAL A 27 -1.249 -4.698 -0.329 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.566 -4.818 -1.829 1.00 0.00 C ATOM 385 CG2 VAL A 27 -0.965 -3.220 -0.054 1.00 0.00 C ATOM 0 H VAL A 27 -1.579 -5.299 2.468 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.308 -5.038 0.094 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.369 -5.284 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.757 -4.373 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.668 -5.870 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.498 -4.297 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.174 -2.872 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.869 -2.637 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.649 -3.097 0.982 1.00 0.00 H new ATOM 395 N GLN A 28 -2.644 -7.551 -0.381 1.00 0.00 N ATOM 396 CA GLN A 28 -2.643 -9.002 -0.419 1.00 0.00 C ATOM 397 C GLN A 28 -2.048 -9.511 -1.735 1.00 0.00 C ATOM 398 O GLN A 28 -1.836 -8.714 -2.645 1.00 0.00 O ATOM 399 CB GLN A 28 -4.052 -9.490 -0.039 1.00 0.00 C ATOM 400 CG GLN A 28 -5.242 -8.820 -0.736 1.00 0.00 C ATOM 401 CD GLN A 28 -6.546 -9.396 -0.187 1.00 0.00 C ATOM 402 OE1 GLN A 28 -7.299 -10.059 -0.902 1.00 0.00 O ATOM 403 NE2 GLN A 28 -6.785 -9.237 1.106 1.00 0.00 N ATOM 0 H GLN A 28 -3.018 -7.126 -1.230 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.976 -9.444 0.321 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.103 -10.560 -0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.175 -9.361 1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.212 -7.742 -0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.185 -8.983 -1.812 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.147 -8.684 1.678 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.607 -9.668 1.530 1.00 0.00 H new ATOM 412 N PRO A 29 -1.661 -10.790 -1.840 1.00 0.00 N ATOM 413 CA PRO A 29 -0.936 -11.257 -3.006 1.00 0.00 C ATOM 414 C PRO A 29 -1.881 -11.284 -4.206 1.00 0.00 C ATOM 415 O PRO A 29 -3.070 -11.595 -4.084 1.00 0.00 O ATOM 416 CB PRO A 29 -0.373 -12.632 -2.631 1.00 0.00 C ATOM 417 CG PRO A 29 -1.257 -13.106 -1.486 1.00 0.00 C ATOM 418 CD PRO A 29 -1.735 -11.822 -0.829 1.00 0.00 C ATOM 0 HA PRO A 29 -0.111 -10.606 -3.295 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.413 -13.321 -3.475 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.671 -12.563 -2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.094 -13.703 -1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.701 -13.729 -0.785 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.755 -11.931 -0.461 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.112 -11.570 0.029 1.00 0.00 H new ATOM 426 N ASN A 30 -1.318 -11.011 -5.378 1.00 0.00 N ATOM 427 CA ASN A 30 -1.970 -10.978 -6.678 1.00 0.00 C ATOM 428 C ASN A 30 -3.221 -10.095 -6.631 1.00 0.00 C ATOM 429 O ASN A 30 -4.342 -10.583 -6.784 1.00 0.00 O ATOM 430 CB ASN A 30 -2.223 -12.396 -7.222 1.00 0.00 C ATOM 431 CG ASN A 30 -1.016 -13.318 -7.091 1.00 0.00 C ATOM 432 OD1 ASN A 30 -0.073 -13.256 -7.871 1.00 0.00 O ATOM 433 ND2 ASN A 30 -0.996 -14.187 -6.097 1.00 0.00 N ATOM 0 H ASN A 30 -0.324 -10.792 -5.447 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.297 -10.514 -7.399 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.067 -12.836 -6.690 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.508 -12.329 -8.272 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.195 -14.807 -5.978 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.781 -14.238 -5.448 1.00 0.00 H new ATOM 440 N ILE A 31 -3.032 -8.784 -6.424 1.00 0.00 N ATOM 441 CA ILE A 31 -4.107 -7.789 -6.300 1.00 0.00 C ATOM 442 C ILE A 31 -3.805 -6.537 -7.149 1.00 0.00 C ATOM 443 O ILE A 31 -4.006 -5.405 -6.722 1.00 0.00 O ATOM 444 CB ILE A 31 -4.448 -7.566 -4.805 1.00 0.00 C ATOM 445 CG1 ILE A 31 -5.798 -6.871 -4.534 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.371 -6.769 -4.071 1.00 0.00 C ATOM 447 CD1 ILE A 31 -7.015 -7.753 -4.797 1.00 0.00 C ATOM 0 H ILE A 31 -2.102 -8.375 -6.336 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.037 -8.156 -6.734 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.509 -8.586 -4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.821 -6.538 -3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.867 -5.979 -5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.660 -6.642 -3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.423 -7.305 -4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.260 -5.791 -4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.924 -7.191 -4.583 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.019 -8.066 -5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.972 -8.633 -4.155 1.00 0.00 H new ATOM 459 N GLY A 32 -3.271 -6.712 -8.353 1.00 0.00 N ATOM 460 CA GLY A 32 -3.012 -5.642 -9.316 1.00 0.00 C ATOM 461 C GLY A 32 -1.681 -4.923 -9.082 1.00 0.00 C ATOM 462 O GLY A 32 -1.128 -4.933 -7.973 1.00 0.00 O ATOM 0 H GLY A 32 -2.997 -7.632 -8.699 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.019 -6.060 -10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.823 -4.915 -9.267 1.00 0.00 H new ATOM 466 N LEU A 33 -1.164 -4.302 -10.142 1.00 0.00 N ATOM 467 CA LEU A 33 0.154 -3.689 -10.265 1.00 0.00 C ATOM 468 C LEU A 33 0.288 -2.496 -9.337 1.00 0.00 C ATOM 469 O LEU A 33 -0.535 -1.583 -9.356 1.00 0.00 O ATOM 470 CB LEU A 33 0.375 -3.302 -11.736 1.00 0.00 C ATOM 471 CG LEU A 33 1.601 -2.433 -12.081 1.00 0.00 C ATOM 472 CD1 LEU A 33 2.943 -3.049 -11.662 1.00 0.00 C ATOM 473 CD2 LEU A 33 1.599 -2.241 -13.602 1.00 0.00 C ATOM 0 H LEU A 33 -1.701 -4.208 -11.004 1.00 0.00 H new ATOM 0 HA LEU A 33 0.925 -4.399 -9.965 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.444 -4.222 -12.316 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.515 -2.775 -12.080 1.00 0.00 H new ATOM 0 HG LEU A 33 1.514 -1.497 -11.529 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.755 -2.377 -11.940 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.952 -3.202 -10.583 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.077 -4.006 -12.165 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.453 -1.629 -13.893 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.665 -3.213 -14.091 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.677 -1.744 -13.905 1.00 0.00 H new ATOM 485 N LEU A 34 1.345 -2.502 -8.528 1.00 0.00 N ATOM 486 CA LEU A 34 1.716 -1.359 -7.695 1.00 0.00 C ATOM 487 C LEU A 34 2.524 -0.380 -8.548 1.00 0.00 C ATOM 488 O LEU A 34 3.755 -0.372 -8.477 1.00 0.00 O ATOM 489 CB LEU A 34 2.492 -1.794 -6.436 1.00 0.00 C ATOM 490 CG LEU A 34 1.695 -2.735 -5.512 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.643 -3.542 -4.622 1.00 0.00 C ATOM 492 CD2 LEU A 34 0.730 -1.929 -4.633 1.00 0.00 C ATOM 0 H LEU A 34 1.971 -3.302 -8.431 1.00 0.00 H new ATOM 0 HA LEU A 34 0.813 -0.867 -7.334 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.412 -2.292 -6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.782 -0.906 -5.874 1.00 0.00 H new ATOM 0 HG LEU A 34 1.123 -3.421 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.063 -4.201 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.308 -4.139 -5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.234 -2.862 -4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.174 -2.608 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.296 -1.226 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.033 -1.380 -5.266 1.00 0.00 H new ATOM 504 N TYR A 35 1.851 0.390 -9.401 1.00 0.00 N ATOM 505 CA TYR A 35 2.483 1.393 -10.251 1.00 0.00 C ATOM 506 C TYR A 35 3.039 2.541 -9.397 1.00 0.00 C ATOM 507 O TYR A 35 2.754 2.660 -8.202 1.00 0.00 O ATOM 508 CB TYR A 35 1.486 1.897 -11.304 1.00 0.00 C ATOM 509 CG TYR A 35 0.237 2.547 -10.737 1.00 0.00 C ATOM 510 CD1 TYR A 35 -0.869 1.761 -10.372 1.00 0.00 C ATOM 511 CD2 TYR A 35 0.183 3.944 -10.565 1.00 0.00 C ATOM 512 CE1 TYR A 35 -2.003 2.368 -9.810 1.00 0.00 C ATOM 513 CE2 TYR A 35 -0.943 4.556 -9.990 1.00 0.00 C ATOM 514 CZ TYR A 35 -2.045 3.763 -9.605 1.00 0.00 C ATOM 515 OH TYR A 35 -3.120 4.321 -8.986 1.00 0.00 O ATOM 0 H TYR A 35 0.840 0.333 -9.522 1.00 0.00 H new ATOM 0 HA TYR A 35 3.322 0.940 -10.779 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.992 2.616 -11.949 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.189 1.058 -11.933 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.847 0.692 -10.524 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.018 4.552 -10.879 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.852 1.761 -9.532 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.965 5.626 -9.844 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.993 5.291 -8.921 1.00 0.00 H new ATOM 525 N ASP A 36 3.900 3.368 -9.980 1.00 0.00 N ATOM 526 CA ASP A 36 4.531 4.490 -9.298 1.00 0.00 C ATOM 527 C ASP A 36 3.573 5.675 -9.229 1.00 0.00 C ATOM 528 O ASP A 36 2.788 5.915 -10.141 1.00 0.00 O ATOM 529 CB ASP A 36 5.843 4.878 -9.991 1.00 0.00 C ATOM 530 CG ASP A 36 5.608 5.522 -11.353 1.00 0.00 C ATOM 531 OD1 ASP A 36 5.297 4.774 -12.307 1.00 0.00 O ATOM 532 OD2 ASP A 36 5.765 6.761 -11.476 1.00 0.00 O ATOM 0 H ASP A 36 4.183 3.275 -10.956 1.00 0.00 H new ATOM 0 HA ASP A 36 4.771 4.187 -8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.397 5.569 -9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.463 3.990 -10.113 1.00 0.00 H new ATOM 537 N GLY A 37 3.623 6.422 -8.131 1.00 0.00 N ATOM 538 CA GLY A 37 2.760 7.571 -7.895 1.00 0.00 C ATOM 539 C GLY A 37 1.417 7.188 -7.277 1.00 0.00 C ATOM 540 O GLY A 37 0.572 8.058 -7.059 1.00 0.00 O ATOM 0 H GLY A 37 4.276 6.242 -7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.270 8.273 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.586 8.088 -8.839 1.00 0.00 H new ATOM 544 N MET A 38 1.228 5.910 -6.922 1.00 0.00 N ATOM 545 CA MET A 38 0.064 5.410 -6.194 1.00 0.00 C ATOM 546 C MET A 38 -0.180 6.155 -4.880 1.00 0.00 C ATOM 547 O MET A 38 -1.305 6.173 -4.391 1.00 0.00 O ATOM 548 CB MET A 38 0.275 3.929 -5.841 1.00 0.00 C ATOM 549 CG MET A 38 -0.315 2.967 -6.863 1.00 0.00 C ATOM 550 SD MET A 38 -0.271 1.247 -6.299 1.00 0.00 S ATOM 551 CE MET A 38 -1.632 1.250 -5.109 1.00 0.00 C ATOM 0 H MET A 38 1.903 5.178 -7.142 1.00 0.00 H new ATOM 0 HA MET A 38 -0.795 5.559 -6.848 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.344 3.735 -5.747 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.172 3.729 -4.867 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.346 3.251 -7.072 1.00 0.00 H new ATOM 0 HG3 MET A 38 0.236 3.053 -7.800 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.541 0.387 -4.450 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.595 2.164 -4.517 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.581 1.201 -5.642 1.00 0.00 H new ATOM 561 N PHE A 39 0.875 6.708 -4.277 1.00 0.00 N ATOM 562 CA PHE A 39 0.903 7.135 -2.883 1.00 0.00 C ATOM 563 C PHE A 39 1.496 8.548 -2.742 1.00 0.00 C ATOM 564 O PHE A 39 2.011 8.899 -1.678 1.00 0.00 O ATOM 565 CB PHE A 39 1.727 6.116 -2.081 1.00 0.00 C ATOM 566 CG PHE A 39 1.346 4.653 -2.205 1.00 0.00 C ATOM 567 CD1 PHE A 39 0.210 4.154 -1.541 1.00 0.00 C ATOM 568 CD2 PHE A 39 2.151 3.779 -2.963 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.141 2.797 -1.677 1.00 0.00 C ATOM 570 CE2 PHE A 39 1.802 2.425 -3.090 1.00 0.00 C ATOM 571 CZ PHE A 39 0.649 1.933 -2.455 1.00 0.00 C ATOM 0 H PHE A 39 1.757 6.874 -4.762 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.115 7.178 -2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.770 6.218 -2.379 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.668 6.391 -1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.391 4.810 -0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.040 4.153 -3.448 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.022 2.418 -1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.420 1.761 -3.676 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.371 0.895 -2.564 1.00 0.00 H new ATOM 581 N SER A 40 1.508 9.344 -3.816 1.00 0.00 N ATOM 582 CA SER A 40 2.006 10.714 -3.764 1.00 0.00 C ATOM 583 C SER A 40 1.094 11.544 -2.859 1.00 0.00 C ATOM 584 O SER A 40 -0.086 11.726 -3.164 1.00 0.00 O ATOM 585 CB SER A 40 2.120 11.292 -5.185 1.00 0.00 C ATOM 586 OG SER A 40 2.949 12.443 -5.204 1.00 0.00 O ATOM 0 H SER A 40 1.175 9.056 -4.736 1.00 0.00 H new ATOM 0 HA SER A 40 3.009 10.738 -3.337 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.527 10.536 -5.857 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.128 11.548 -5.557 1.00 0.00 H new ATOM 0 HG SER A 40 3.006 12.790 -6.119 1.00 0.00 H new ATOM 592 N GLY A 41 1.635 12.038 -1.743 1.00 0.00 N ATOM 593 CA GLY A 41 0.954 12.998 -0.880 1.00 0.00 C ATOM 594 C GLY A 41 0.249 12.380 0.325 1.00 0.00 C ATOM 595 O GLY A 41 -0.467 13.080 1.038 1.00 0.00 O ATOM 0 H GLY A 41 2.565 11.779 -1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.682 13.727 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.220 13.544 -1.473 1.00 0.00 H new ATOM 599 N CYS A 42 0.449 11.090 0.599 1.00 0.00 N ATOM 600 CA CYS A 42 -0.128 10.390 1.747 1.00 0.00 C ATOM 601 C CYS A 42 0.454 10.873 3.100 1.00 0.00 C ATOM 602 O CYS A 42 1.236 10.155 3.723 1.00 0.00 O ATOM 603 CB CYS A 42 0.108 8.891 1.550 1.00 0.00 C ATOM 604 SG CYS A 42 -0.645 8.301 0.011 1.00 0.00 S ATOM 0 H CYS A 42 1.030 10.489 0.015 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.195 10.609 1.794 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.179 8.689 1.534 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.308 8.341 2.395 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.421 7.027 -0.121 1.00 0.00 H new ATOM 610 N THR A 43 0.062 12.058 3.582 1.00 0.00 N ATOM 611 CA THR A 43 0.763 12.724 4.680 1.00 0.00 C ATOM 612 C THR A 43 0.710 11.941 5.996 1.00 0.00 C ATOM 613 O THR A 43 1.680 12.021 6.753 1.00 0.00 O ATOM 614 CB THR A 43 0.295 14.185 4.861 1.00 0.00 C ATOM 615 OG1 THR A 43 -1.116 14.310 4.946 1.00 0.00 O ATOM 616 CG2 THR A 43 0.760 15.084 3.712 1.00 0.00 C ATOM 0 H THR A 43 -0.741 12.576 3.225 1.00 0.00 H new ATOM 0 HA THR A 43 1.813 12.750 4.390 1.00 0.00 H new ATOM 0 HB THR A 43 0.747 14.500 5.802 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.354 15.254 5.061 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.408 16.102 3.881 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.849 15.080 3.664 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.354 14.711 2.771 1.00 0.00 H new ATOM 624 N ALA A 44 -0.354 11.172 6.282 1.00 0.00 N ATOM 625 CA ALA A 44 -0.394 10.278 7.432 1.00 0.00 C ATOM 626 C ALA A 44 -0.511 8.850 6.912 1.00 0.00 C ATOM 627 O ALA A 44 -1.532 8.197 7.112 1.00 0.00 O ATOM 628 CB ALA A 44 -1.518 10.668 8.408 1.00 0.00 C ATOM 0 H ALA A 44 -1.204 11.159 5.719 1.00 0.00 H new ATOM 0 HA ALA A 44 0.523 10.360 8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.520 9.981 9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.353 11.684 8.766 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.479 10.615 7.896 1.00 0.00 H new ATOM 634 N LEU A 45 0.508 8.386 6.191 1.00 0.00 N ATOM 635 CA LEU A 45 0.807 6.987 5.879 1.00 0.00 C ATOM 636 C LEU A 45 2.219 6.715 6.384 1.00 0.00 C ATOM 637 O LEU A 45 3.166 7.360 5.938 1.00 0.00 O ATOM 638 CB LEU A 45 0.629 6.715 4.374 1.00 0.00 C ATOM 639 CG LEU A 45 1.342 5.512 3.701 1.00 0.00 C ATOM 640 CD1 LEU A 45 2.314 6.047 2.655 1.00 0.00 C ATOM 641 CD2 LEU A 45 1.748 4.341 4.587 1.00 0.00 C ATOM 0 H LEU A 45 1.194 9.020 5.781 1.00 0.00 H new ATOM 0 HA LEU A 45 0.116 6.303 6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.439 6.598 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.946 7.614 3.845 1.00 0.00 H new ATOM 0 HG LEU A 45 0.606 4.920 3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.824 5.213 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.765 6.619 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.049 6.692 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.234 3.577 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.439 4.688 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.862 3.919 5.060 1.00 0.00 H new ATOM 653 N GLU A 46 2.348 5.742 7.293 1.00 0.00 N ATOM 654 CA GLU A 46 3.618 5.295 7.872 1.00 0.00 C ATOM 655 C GLU A 46 3.817 3.771 7.865 1.00 0.00 C ATOM 656 O GLU A 46 4.913 3.309 8.201 1.00 0.00 O ATOM 657 CB GLU A 46 3.969 5.988 9.204 1.00 0.00 C ATOM 658 CG GLU A 46 2.747 6.537 9.938 1.00 0.00 C ATOM 659 CD GLU A 46 3.035 7.457 11.130 1.00 0.00 C ATOM 660 OE1 GLU A 46 4.065 8.178 11.133 1.00 0.00 O ATOM 661 OE2 GLU A 46 2.079 7.661 11.915 1.00 0.00 O ATOM 0 H GLU A 46 1.545 5.228 7.657 1.00 0.00 H new ATOM 0 HA GLU A 46 4.380 5.650 7.178 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.484 5.278 9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.665 6.804 9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.134 7.084 9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.151 5.695 10.290 1.00 0.00 H new ATOM 668 N LYS A 47 2.827 2.976 7.429 1.00 0.00 N ATOM 669 CA LYS A 47 2.997 1.540 7.206 1.00 0.00 C ATOM 670 C LYS A 47 2.197 1.015 6.018 1.00 0.00 C ATOM 671 O LYS A 47 1.164 1.556 5.626 1.00 0.00 O ATOM 672 CB LYS A 47 2.573 0.740 8.441 1.00 0.00 C ATOM 673 CG LYS A 47 3.561 0.832 9.610 1.00 0.00 C ATOM 674 CD LYS A 47 3.284 -0.321 10.583 1.00 0.00 C ATOM 675 CE LYS A 47 4.543 -0.907 11.221 1.00 0.00 C ATOM 676 NZ LYS A 47 4.172 -1.925 12.231 1.00 0.00 N ATOM 0 H LYS A 47 1.888 3.315 7.222 1.00 0.00 H new ATOM 0 HA LYS A 47 4.059 1.407 6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.597 1.094 8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.454 -0.306 8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.586 0.778 9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.455 1.790 10.120 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.620 0.033 11.371 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.755 -1.113 10.052 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.174 -1.357 10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.126 -0.114 11.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.034 -2.319 12.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.588 -1.484 12.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.634 -2.688 11.773 1.00 0.00 H new ATOM 690 N LEU A 48 2.661 -0.118 5.515 1.00 0.00 N ATOM 691 CA LEU A 48 2.134 -0.929 4.434 1.00 0.00 C ATOM 692 C LEU A 48 2.341 -2.367 4.906 1.00 0.00 C ATOM 693 O LEU A 48 3.363 -2.660 5.521 1.00 0.00 O ATOM 694 CB LEU A 48 2.940 -0.602 3.171 1.00 0.00 C ATOM 695 CG LEU A 48 2.516 -1.221 1.830 1.00 0.00 C ATOM 696 CD1 LEU A 48 2.497 -2.739 1.758 1.00 0.00 C ATOM 697 CD2 LEU A 48 1.244 -0.619 1.239 1.00 0.00 C ATOM 0 H LEU A 48 3.509 -0.535 5.898 1.00 0.00 H new ATOM 0 HA LEU A 48 1.084 -0.756 4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.934 0.481 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.973 -0.896 3.356 1.00 0.00 H new ATOM 0 HG LEU A 48 3.348 -0.927 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.182 -3.052 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.496 -3.125 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.800 -3.130 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.014 -1.111 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.417 -0.763 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.392 0.447 1.067 1.00 0.00 H new ATOM 709 N ILE A 49 1.394 -3.260 4.649 1.00 0.00 N ATOM 710 CA ILE A 49 1.383 -4.637 5.159 1.00 0.00 C ATOM 711 C ILE A 49 1.004 -5.542 3.992 1.00 0.00 C ATOM 712 O ILE A 49 0.180 -5.153 3.164 1.00 0.00 O ATOM 713 CB ILE A 49 0.430 -4.801 6.383 1.00 0.00 C ATOM 714 CG1 ILE A 49 0.715 -3.767 7.494 1.00 0.00 C ATOM 715 CG2 ILE A 49 0.547 -6.203 7.027 1.00 0.00 C ATOM 716 CD1 ILE A 49 -0.126 -2.488 7.418 1.00 0.00 C ATOM 0 H ILE A 49 0.586 -3.046 4.064 1.00 0.00 H new ATOM 0 HA ILE A 49 2.367 -4.913 5.538 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.571 -4.650 5.980 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.545 -4.239 8.462 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.769 -3.494 7.454 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.134 -6.272 7.875 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.288 -6.964 6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.570 -6.362 7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.146 -1.825 8.239 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.060 -1.986 6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.183 -2.743 7.492 1.00 0.00 H new ATOM 728 N LEU A 50 1.616 -6.722 3.913 1.00 0.00 N ATOM 729 CA LEU A 50 1.541 -7.620 2.768 1.00 0.00 C ATOM 730 C LEU A 50 1.132 -9.008 3.260 1.00 0.00 C ATOM 731 O LEU A 50 1.968 -9.706 3.831 1.00 0.00 O ATOM 732 CB LEU A 50 2.910 -7.672 2.049 1.00 0.00 C ATOM 733 CG LEU A 50 3.401 -6.344 1.440 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.726 -6.528 0.693 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.394 -5.763 0.449 1.00 0.00 C ATOM 0 H LEU A 50 2.195 -7.088 4.669 1.00 0.00 H new ATOM 0 HA LEU A 50 0.800 -7.259 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.659 -8.022 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.853 -8.415 1.254 1.00 0.00 H new ATOM 0 HG LEU A 50 3.529 -5.662 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.044 -5.573 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.486 -6.893 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.592 -7.249 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.780 -4.828 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.233 -6.471 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.449 -5.575 0.959 1.00 0.00 H new ATOM 747 N THR A 51 -0.121 -9.421 3.046 1.00 0.00 N ATOM 748 CA THR A 51 -0.634 -10.724 3.490 1.00 0.00 C ATOM 749 C THR A 51 -0.186 -11.854 2.529 1.00 0.00 C ATOM 750 O THR A 51 -0.987 -12.711 2.124 1.00 0.00 O ATOM 751 CB THR A 51 -2.166 -10.679 3.735 1.00 0.00 C ATOM 752 OG1 THR A 51 -2.908 -11.000 2.567 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.711 -9.342 4.257 1.00 0.00 C ATOM 0 H THR A 51 -0.815 -8.857 2.556 1.00 0.00 H new ATOM 0 HA THR A 51 -0.192 -10.960 4.458 1.00 0.00 H new ATOM 0 HB THR A 51 -2.300 -11.429 4.515 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.562 -11.830 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.790 -9.417 4.394 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.240 -9.104 5.211 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.491 -8.554 3.537 1.00 0.00 H new ATOM 761 N GLY A 52 1.039 -11.781 2.003 1.00 0.00 N ATOM 762 CA GLY A 52 1.564 -12.744 1.049 1.00 0.00 C ATOM 763 C GLY A 52 2.968 -13.109 1.465 1.00 0.00 C ATOM 764 O GLY A 52 3.692 -12.264 1.996 1.00 0.00 O ATOM 0 H GLY A 52 1.699 -11.038 2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.933 -13.633 1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.564 -12.321 0.044 1.00 0.00 H new ATOM 768 N GLU A 53 3.350 -14.355 1.212 1.00 0.00 N ATOM 769 CA GLU A 53 4.535 -14.954 1.801 1.00 0.00 C ATOM 770 C GLU A 53 5.726 -14.882 0.852 1.00 0.00 C ATOM 771 O GLU A 53 6.680 -15.648 0.994 1.00 0.00 O ATOM 772 CB GLU A 53 4.203 -16.376 2.276 1.00 0.00 C ATOM 773 CG GLU A 53 3.242 -16.345 3.470 1.00 0.00 C ATOM 774 CD GLU A 53 2.925 -17.735 3.991 1.00 0.00 C ATOM 775 OE1 GLU A 53 2.200 -18.493 3.305 1.00 0.00 O ATOM 776 OE2 GLU A 53 3.389 -18.071 5.101 1.00 0.00 O ATOM 0 H GLU A 53 2.841 -14.980 0.588 1.00 0.00 H new ATOM 0 HA GLU A 53 4.841 -14.384 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.755 -16.941 1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.121 -16.893 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.681 -15.750 4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.317 -15.850 3.176 1.00 0.00 H new ATOM 783 N ASP A 54 5.643 -14.034 -0.176 1.00 0.00 N ATOM 784 CA ASP A 54 6.508 -14.058 -1.333 1.00 0.00 C ATOM 785 C ASP A 54 6.576 -12.667 -1.970 1.00 0.00 C ATOM 786 O ASP A 54 5.576 -11.942 -1.999 1.00 0.00 O ATOM 787 CB ASP A 54 5.993 -15.067 -2.379 1.00 0.00 C ATOM 788 CG ASP A 54 4.550 -15.571 -2.222 1.00 0.00 C ATOM 789 OD1 ASP A 54 3.621 -14.766 -2.038 1.00 0.00 O ATOM 790 OD2 ASP A 54 4.367 -16.814 -2.262 1.00 0.00 O ATOM 0 H ASP A 54 4.945 -13.291 -0.216 1.00 0.00 H new ATOM 0 HA ASP A 54 7.502 -14.361 -1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.085 -14.608 -3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.656 -15.932 -2.367 1.00 0.00 H new ATOM 795 N PRO A 55 7.736 -12.325 -2.557 1.00 0.00 N ATOM 796 CA PRO A 55 7.903 -11.137 -3.383 1.00 0.00 C ATOM 797 C PRO A 55 7.175 -11.303 -4.724 1.00 0.00 C ATOM 798 O PRO A 55 6.521 -10.379 -5.205 1.00 0.00 O ATOM 799 CB PRO A 55 9.418 -10.993 -3.561 1.00 0.00 C ATOM 800 CG PRO A 55 9.965 -12.412 -3.388 1.00 0.00 C ATOM 801 CD PRO A 55 8.995 -13.046 -2.413 1.00 0.00 C ATOM 0 HA PRO A 55 7.473 -10.245 -2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.665 -10.590 -4.543 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.841 -10.313 -2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.992 -12.950 -4.335 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.982 -12.406 -2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.863 -14.106 -2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.369 -12.975 -1.392 1.00 0.00 H new ATOM 809 N SER A 56 7.276 -12.494 -5.320 1.00 0.00 N ATOM 810 CA SER A 56 6.852 -12.800 -6.680 1.00 0.00 C ATOM 811 C SER A 56 5.337 -12.734 -6.896 1.00 0.00 C ATOM 812 O SER A 56 4.893 -12.538 -8.028 1.00 0.00 O ATOM 813 CB SER A 56 7.370 -14.196 -7.024 1.00 0.00 C ATOM 814 OG SER A 56 8.757 -14.254 -6.739 1.00 0.00 O ATOM 0 H SER A 56 7.673 -13.303 -4.843 1.00 0.00 H new ATOM 0 HA SER A 56 7.268 -12.036 -7.337 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.835 -14.950 -6.446 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.192 -14.415 -8.077 1.00 0.00 H new ATOM 0 HG SER A 56 9.098 -15.147 -6.955 1.00 0.00 H new ATOM 820 N ALA A 57 4.550 -12.866 -5.826 1.00 0.00 N ATOM 821 CA ALA A 57 3.100 -12.752 -5.870 1.00 0.00 C ATOM 822 C ALA A 57 2.637 -11.293 -5.952 1.00 0.00 C ATOM 823 O ALA A 57 1.439 -11.029 -5.861 1.00 0.00 O ATOM 824 CB ALA A 57 2.508 -13.428 -4.639 1.00 0.00 C ATOM 0 H ALA A 57 4.913 -13.058 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 57 2.747 -13.248 -6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.421 -13.346 -4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.792 -14.480 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.886 -12.942 -3.740 1.00 0.00 H new ATOM 830 N TYR A 58 3.557 -10.337 -6.071 1.00 0.00 N ATOM 831 CA TYR A 58 3.252 -8.924 -6.187 1.00 0.00 C ATOM 832 C TYR A 58 3.863 -8.389 -7.476 1.00 0.00 C ATOM 833 O TYR A 58 4.597 -9.071 -8.201 1.00 0.00 O ATOM 834 CB TYR A 58 3.729 -8.172 -4.935 1.00 0.00 C ATOM 835 CG TYR A 58 2.943 -8.511 -3.681 1.00 0.00 C ATOM 836 CD1 TYR A 58 3.260 -9.668 -2.946 1.00 0.00 C ATOM 837 CD2 TYR A 58 1.889 -7.680 -3.258 1.00 0.00 C ATOM 838 CE1 TYR A 58 2.549 -9.984 -1.777 1.00 0.00 C ATOM 839 CE2 TYR A 58 1.165 -7.991 -2.095 1.00 0.00 C ATOM 840 CZ TYR A 58 1.497 -9.143 -1.344 1.00 0.00 C ATOM 841 OH TYR A 58 0.810 -9.430 -0.205 1.00 0.00 O ATOM 0 H TYR A 58 4.557 -10.535 -6.089 1.00 0.00 H new ATOM 0 HA TYR A 58 2.175 -8.768 -6.244 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.782 -8.399 -4.765 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.659 -7.100 -5.118 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.055 -10.317 -3.283 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.636 -6.800 -3.830 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.805 -10.867 -1.210 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.356 -7.351 -1.775 1.00 0.00 H new ATOM 0 HH TYR A 58 0.123 -8.747 -0.057 1.00 0.00 H new ATOM 851 N SER A 59 3.525 -7.142 -7.772 1.00 0.00 N ATOM 852 CA SER A 59 3.882 -6.441 -8.989 1.00 0.00 C ATOM 853 C SER A 59 4.179 -5.019 -8.576 1.00 0.00 C ATOM 854 O SER A 59 3.317 -4.416 -7.939 1.00 0.00 O ATOM 855 CB SER A 59 2.721 -6.473 -9.999 1.00 0.00 C ATOM 856 OG SER A 59 1.460 -6.790 -9.428 1.00 0.00 O ATOM 0 H SER A 59 2.969 -6.568 -7.138 1.00 0.00 H new ATOM 0 HA SER A 59 4.739 -6.907 -9.476 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.652 -5.501 -10.487 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.950 -7.203 -10.775 1.00 0.00 H new ATOM 0 HG SER A 59 0.774 -6.790 -10.128 1.00 0.00 H new ATOM 862 N ALA A 60 5.343 -4.492 -8.932 1.00 0.00 N ATOM 863 CA ALA A 60 5.723 -3.099 -8.754 1.00 0.00 C ATOM 864 C ALA A 60 6.219 -2.582 -10.105 1.00 0.00 C ATOM 865 O ALA A 60 6.592 -3.383 -10.965 1.00 0.00 O ATOM 866 CB ALA A 60 6.799 -3.002 -7.672 1.00 0.00 C ATOM 0 H ALA A 60 6.078 -5.047 -9.371 1.00 0.00 H new ATOM 0 HA ALA A 60 4.881 -2.489 -8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.086 -1.959 -7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.408 -3.396 -6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.671 -3.582 -7.973 1.00 0.00 H new ATOM 872 N GLY A 61 6.218 -1.264 -10.281 1.00 0.00 N ATOM 873 CA GLY A 61 6.723 -0.562 -11.446 1.00 0.00 C ATOM 874 C GLY A 61 8.146 -0.130 -11.172 1.00 0.00 C ATOM 875 O GLY A 61 8.979 -0.951 -10.789 1.00 0.00 O ATOM 0 H GLY A 61 5.845 -0.628 -9.576 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.687 -1.209 -12.322 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.100 0.305 -11.664 1.00 0.00 H new ATOM 879 N ASP A 62 8.428 1.155 -11.360 1.00 0.00 N ATOM 880 CA ASP A 62 9.750 1.744 -11.175 1.00 0.00 C ATOM 881 C ASP A 62 9.824 2.588 -9.903 1.00 0.00 C ATOM 882 O ASP A 62 10.762 3.363 -9.706 1.00 0.00 O ATOM 883 CB ASP A 62 10.179 2.490 -12.451 1.00 0.00 C ATOM 884 CG ASP A 62 11.310 1.713 -13.108 1.00 0.00 C ATOM 885 OD1 ASP A 62 11.049 0.612 -13.650 1.00 0.00 O ATOM 886 OD2 ASP A 62 12.486 2.126 -13.005 1.00 0.00 O ATOM 0 H ASP A 62 7.725 1.834 -11.653 1.00 0.00 H new ATOM 0 HA ASP A 62 10.478 0.948 -11.020 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.336 2.584 -13.136 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.506 3.501 -12.207 1.00 0.00 H new ATOM 891 N GLY A 63 8.841 2.446 -9.013 1.00 0.00 N ATOM 892 CA GLY A 63 8.838 3.112 -7.732 1.00 0.00 C ATOM 893 C GLY A 63 7.608 2.673 -6.962 1.00 0.00 C ATOM 894 O GLY A 63 6.591 3.359 -7.009 1.00 0.00 O ATOM 0 H GLY A 63 8.023 1.858 -9.173 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.742 2.865 -7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.833 4.193 -7.868 1.00 0.00 H new ATOM 898 N LEU A 64 7.670 1.516 -6.293 1.00 0.00 N ATOM 899 CA LEU A 64 6.543 0.969 -5.530 1.00 0.00 C ATOM 900 C LEU A 64 6.039 2.049 -4.568 1.00 0.00 C ATOM 901 O LEU A 64 4.858 2.390 -4.545 1.00 0.00 O ATOM 902 CB LEU A 64 6.968 -0.314 -4.782 1.00 0.00 C ATOM 903 CG LEU A 64 5.783 -1.151 -4.249 1.00 0.00 C ATOM 904 CD1 LEU A 64 6.264 -2.423 -3.542 1.00 0.00 C ATOM 905 CD2 LEU A 64 4.888 -0.446 -3.223 1.00 0.00 C ATOM 0 H LEU A 64 8.505 0.931 -6.266 1.00 0.00 H new ATOM 0 HA LEU A 64 5.732 0.688 -6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.564 -0.933 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.611 -0.039 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 64 5.210 -1.349 -5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.403 -2.986 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.831 -3.036 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.900 -2.152 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.088 -1.119 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.482 -0.165 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.456 0.449 -3.671 1.00 0.00 H new ATOM 917 N ARG A 65 6.967 2.627 -3.807 1.00 0.00 N ATOM 918 CA ARG A 65 6.706 3.704 -2.867 1.00 0.00 C ATOM 919 C ARG A 65 7.148 5.038 -3.443 1.00 0.00 C ATOM 920 O ARG A 65 7.799 5.844 -2.777 1.00 0.00 O ATOM 921 CB ARG A 65 7.333 3.376 -1.512 1.00 0.00 C ATOM 922 CG ARG A 65 8.871 3.429 -1.448 1.00 0.00 C ATOM 923 CD ARG A 65 9.344 4.314 -0.277 1.00 0.00 C ATOM 924 NE ARG A 65 10.526 5.122 -0.590 1.00 0.00 N ATOM 925 CZ ARG A 65 11.753 4.678 -0.872 1.00 0.00 C ATOM 926 NH1 ARG A 65 12.056 3.385 -0.817 1.00 0.00 N ATOM 927 NH2 ARG A 65 12.690 5.538 -1.244 1.00 0.00 N ATOM 0 H ARG A 65 7.948 2.347 -3.832 1.00 0.00 H new ATOM 0 HA ARG A 65 5.633 3.798 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.934 4.070 -0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.011 2.377 -1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.269 2.421 -1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.265 3.820 -2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.530 4.976 0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.566 3.679 0.581 1.00 0.00 H new ATOM 0 HE ARG A 65 10.397 6.134 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.343 2.705 -0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.002 3.073 -1.038 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.472 6.532 -1.313 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.630 5.206 -1.461 1.00 0.00 H new ATOM 941 N ASP A 66 6.894 5.264 -4.724 1.00 0.00 N ATOM 942 CA ASP A 66 7.074 6.598 -5.263 1.00 0.00 C ATOM 943 C ASP A 66 6.044 7.516 -4.601 1.00 0.00 C ATOM 944 O ASP A 66 4.884 7.128 -4.406 1.00 0.00 O ATOM 945 CB ASP A 66 6.967 6.576 -6.782 1.00 0.00 C ATOM 946 CG ASP A 66 7.523 7.853 -7.397 1.00 0.00 C ATOM 947 OD1 ASP A 66 8.749 8.084 -7.263 1.00 0.00 O ATOM 948 OD2 ASP A 66 6.752 8.628 -7.996 1.00 0.00 O ATOM 0 H ASP A 66 6.572 4.562 -5.390 1.00 0.00 H new ATOM 0 HA ASP A 66 8.070 6.982 -5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.509 5.716 -7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.924 6.455 -7.073 1.00 0.00 H new ATOM 953 N GLY A 67 6.469 8.710 -4.197 1.00 0.00 N ATOM 954 CA GLY A 67 5.602 9.751 -3.664 1.00 0.00 C ATOM 955 C GLY A 67 5.593 9.862 -2.137 1.00 0.00 C ATOM 956 O GLY A 67 5.066 10.859 -1.636 1.00 0.00 O ATOM 0 H GLY A 67 7.451 8.985 -4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.910 10.709 -4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.584 9.566 -4.007 1.00 0.00 H new ATOM 960 N ALA A 68 6.170 8.906 -1.393 1.00 0.00 N ATOM 961 CA ALA A 68 6.307 8.947 0.066 1.00 0.00 C ATOM 962 C ALA A 68 7.508 8.081 0.493 1.00 0.00 C ATOM 963 O ALA A 68 8.241 7.561 -0.350 1.00 0.00 O ATOM 964 CB ALA A 68 5.002 8.478 0.740 1.00 0.00 C ATOM 0 H ALA A 68 6.565 8.060 -1.804 1.00 0.00 H new ATOM 0 HA ALA A 68 6.491 9.972 0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.119 8.514 1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.183 9.132 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.781 7.456 0.432 1.00 0.00 H new ATOM 970 N ASP A 69 7.688 7.883 1.800 1.00 0.00 N ATOM 971 CA ASP A 69 8.636 6.942 2.397 1.00 0.00 C ATOM 972 C ASP A 69 7.885 6.207 3.503 1.00 0.00 C ATOM 973 O ASP A 69 7.921 6.608 4.663 1.00 0.00 O ATOM 974 CB ASP A 69 9.908 7.644 2.893 1.00 0.00 C ATOM 975 CG ASP A 69 10.987 6.638 3.307 1.00 0.00 C ATOM 976 OD1 ASP A 69 11.621 6.043 2.408 1.00 0.00 O ATOM 977 OD2 ASP A 69 11.318 6.520 4.508 1.00 0.00 O ATOM 0 H ASP A 69 7.154 8.396 2.501 1.00 0.00 H new ATOM 0 HA ASP A 69 8.996 6.227 1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.297 8.291 2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.663 8.284 3.741 1.00 0.00 H new ATOM 982 N PHE A 70 7.094 5.204 3.111 1.00 0.00 N ATOM 983 CA PHE A 70 6.366 4.347 4.046 1.00 0.00 C ATOM 984 C PHE A 70 7.200 3.098 4.323 1.00 0.00 C ATOM 985 O PHE A 70 8.140 2.782 3.583 1.00 0.00 O ATOM 986 CB PHE A 70 4.974 4.028 3.475 1.00 0.00 C ATOM 987 CG PHE A 70 4.945 3.255 2.173 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.154 1.860 2.159 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.629 3.925 0.978 1.00 0.00 C ATOM 990 CE1 PHE A 70 5.001 1.140 0.961 1.00 0.00 C ATOM 991 CE2 PHE A 70 4.380 3.193 -0.191 1.00 0.00 C ATOM 992 CZ PHE A 70 4.557 1.801 -0.197 1.00 0.00 C ATOM 0 H PHE A 70 6.941 4.964 2.131 1.00 0.00 H new ATOM 0 HA PHE A 70 6.206 4.852 4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.419 3.461 4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.441 4.967 3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.431 1.346 3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.578 5.004 0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.224 0.084 0.931 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.052 3.700 -1.087 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.351 1.236 -1.094 1.00 0.00 H new ATOM 1002 N LEU A 71 6.809 2.333 5.333 1.00 0.00 N ATOM 1003 CA LEU A 71 7.497 1.110 5.757 1.00 0.00 C ATOM 1004 C LEU A 71 6.643 -0.101 5.404 1.00 0.00 C ATOM 1005 O LEU A 71 5.422 0.013 5.377 1.00 0.00 O ATOM 1006 CB LEU A 71 7.739 1.193 7.272 1.00 0.00 C ATOM 1007 CG LEU A 71 8.785 0.217 7.830 1.00 0.00 C ATOM 1008 CD1 LEU A 71 10.199 0.593 7.375 1.00 0.00 C ATOM 1009 CD2 LEU A 71 8.759 0.266 9.355 1.00 0.00 C ATOM 0 H LEU A 71 5.986 2.546 5.897 1.00 0.00 H new ATOM 0 HA LEU A 71 8.455 1.008 5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.048 2.209 7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.793 1.016 7.783 1.00 0.00 H new ATOM 0 HG LEU A 71 8.540 -0.779 7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.915 -0.118 7.787 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.249 0.569 6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.440 1.596 7.727 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.501 -0.426 9.754 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.989 1.277 9.691 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.769 -0.018 9.711 1.00 0.00 H new ATOM 1021 N ILE A 72 7.262 -1.244 5.130 1.00 0.00 N ATOM 1022 CA ILE A 72 6.609 -2.461 4.654 1.00 0.00 C ATOM 1023 C ILE A 72 6.647 -3.492 5.789 1.00 0.00 C ATOM 1024 O ILE A 72 7.588 -3.505 6.590 1.00 0.00 O ATOM 1025 CB ILE A 72 7.296 -2.946 3.363 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.399 -1.827 2.295 1.00 0.00 C ATOM 1027 CG2 ILE A 72 6.590 -4.158 2.723 1.00 0.00 C ATOM 1028 CD1 ILE A 72 8.664 -1.999 1.470 1.00 0.00 C ATOM 0 H ILE A 72 8.270 -1.354 5.237 1.00 0.00 H new ATOM 0 HA ILE A 72 5.565 -2.286 4.395 1.00 0.00 H new ATOM 0 HB ILE A 72 8.295 -3.245 3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.525 -1.855 1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.403 -0.851 2.780 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.121 -4.452 1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.585 -4.990 3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.564 -3.890 2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.723 -1.206 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.535 -1.947 2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.643 -2.967 0.969 1.00 0.00 H new ATOM 1040 N CYS A 73 5.641 -4.368 5.838 1.00 0.00 N ATOM 1041 CA CYS A 73 5.527 -5.468 6.786 1.00 0.00 C ATOM 1042 C CYS A 73 5.225 -6.745 5.980 1.00 0.00 C ATOM 1043 O CYS A 73 4.315 -6.708 5.148 1.00 0.00 O ATOM 1044 CB CYS A 73 4.405 -5.182 7.800 1.00 0.00 C ATOM 1045 SG CYS A 73 4.403 -3.449 8.375 1.00 0.00 S ATOM 0 H CYS A 73 4.854 -4.325 5.190 1.00 0.00 H new ATOM 0 HA CYS A 73 6.452 -5.590 7.349 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.442 -5.411 7.344 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.518 -5.845 8.658 1.00 0.00 H new ATOM 0 HG CYS A 73 3.978 -2.676 7.421 1.00 0.00 H new ATOM 1051 N VAL A 74 5.952 -7.845 6.207 1.00 0.00 N ATOM 1052 CA VAL A 74 5.768 -9.154 5.554 1.00 0.00 C ATOM 1053 C VAL A 74 5.767 -10.239 6.637 1.00 0.00 C ATOM 1054 O VAL A 74 6.284 -9.983 7.727 1.00 0.00 O ATOM 1055 CB VAL A 74 6.878 -9.442 4.504 1.00 0.00 C ATOM 1056 CG1 VAL A 74 6.792 -8.493 3.304 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.306 -9.494 5.080 1.00 0.00 C ATOM 0 H VAL A 74 6.719 -7.851 6.879 1.00 0.00 H new ATOM 0 HA VAL A 74 4.819 -9.148 5.017 1.00 0.00 H new ATOM 0 HB VAL A 74 6.672 -10.454 4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.586 -8.730 2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.824 -8.609 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.905 -7.464 3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.015 -9.700 4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.548 -8.536 5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.367 -10.283 5.830 1.00 0.00 H new ATOM 1067 N PRO A 75 5.241 -11.448 6.386 1.00 0.00 N ATOM 1068 CA PRO A 75 5.374 -12.527 7.351 1.00 0.00 C ATOM 1069 C PRO A 75 6.845 -12.905 7.511 1.00 0.00 C ATOM 1070 O PRO A 75 7.617 -12.861 6.549 1.00 0.00 O ATOM 1071 CB PRO A 75 4.562 -13.700 6.800 1.00 0.00 C ATOM 1072 CG PRO A 75 4.379 -13.384 5.321 1.00 0.00 C ATOM 1073 CD PRO A 75 4.509 -11.875 5.204 1.00 0.00 C ATOM 0 HA PRO A 75 5.009 -12.235 8.336 1.00 0.00 H new ATOM 0 HB2 PRO A 75 5.086 -14.645 6.941 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.601 -13.790 7.307 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.132 -13.890 4.716 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.405 -13.722 4.966 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.040 -11.598 4.294 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.529 -11.400 5.158 1.00 0.00 H new ATOM 1081 N GLU A 76 7.227 -13.332 8.713 1.00 0.00 N ATOM 1082 CA GLU A 76 8.603 -13.724 8.992 1.00 0.00 C ATOM 1083 C GLU A 76 9.099 -14.889 8.128 1.00 0.00 C ATOM 1084 O GLU A 76 10.293 -14.974 7.830 1.00 0.00 O ATOM 1085 CB GLU A 76 8.827 -13.990 10.476 1.00 0.00 C ATOM 1086 CG GLU A 76 8.141 -15.200 11.102 1.00 0.00 C ATOM 1087 CD GLU A 76 8.950 -15.691 12.313 1.00 0.00 C ATOM 1088 OE1 GLU A 76 9.157 -14.901 13.271 1.00 0.00 O ATOM 1089 OE2 GLU A 76 9.470 -16.831 12.234 1.00 0.00 O ATOM 0 H GLU A 76 6.598 -13.415 9.512 1.00 0.00 H new ATOM 0 HA GLU A 76 9.213 -12.866 8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.900 -14.095 10.637 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.507 -13.105 11.025 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.130 -14.936 11.412 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.050 -15.999 10.366 1.00 0.00 H new ATOM 1096 N GLU A 77 8.196 -15.764 7.685 1.00 0.00 N ATOM 1097 CA GLU A 77 8.521 -16.892 6.808 1.00 0.00 C ATOM 1098 C GLU A 77 8.751 -16.445 5.352 1.00 0.00 C ATOM 1099 O GLU A 77 9.191 -17.243 4.523 1.00 0.00 O ATOM 1100 CB GLU A 77 7.449 -17.997 6.918 1.00 0.00 C ATOM 1101 CG GLU A 77 8.049 -19.334 7.394 1.00 0.00 C ATOM 1102 CD GLU A 77 8.981 -20.006 6.381 1.00 0.00 C ATOM 1103 OE1 GLU A 77 10.209 -19.738 6.351 1.00 0.00 O ATOM 1104 OE2 GLU A 77 8.523 -20.860 5.591 1.00 0.00 O ATOM 0 H GLU A 77 7.207 -15.710 7.927 1.00 0.00 H new ATOM 0 HA GLU A 77 9.466 -17.316 7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.671 -17.680 7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.972 -18.138 5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.601 -19.162 8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.235 -20.019 7.631 1.00 0.00 H new ATOM 1111 N ALA A 78 8.520 -15.169 5.025 1.00 0.00 N ATOM 1112 CA ALA A 78 8.941 -14.565 3.757 1.00 0.00 C ATOM 1113 C ALA A 78 10.223 -13.736 3.890 1.00 0.00 C ATOM 1114 O ALA A 78 10.687 -13.193 2.885 1.00 0.00 O ATOM 1115 CB ALA A 78 7.820 -13.656 3.256 1.00 0.00 C ATOM 0 H ALA A 78 8.030 -14.520 5.640 1.00 0.00 H new ATOM 0 HA ALA A 78 9.147 -15.376 3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.117 -13.198 2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.915 -14.244 3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.627 -12.876 3.993 1.00 0.00 H new ATOM 1121 N LEU A 79 10.781 -13.579 5.097 1.00 0.00 N ATOM 1122 CA LEU A 79 11.741 -12.517 5.352 1.00 0.00 C ATOM 1123 C LEU A 79 13.063 -12.701 4.607 1.00 0.00 C ATOM 1124 O LEU A 79 13.652 -11.725 4.159 1.00 0.00 O ATOM 1125 CB LEU A 79 11.992 -12.397 6.858 1.00 0.00 C ATOM 1126 CG LEU A 79 12.526 -10.997 7.210 1.00 0.00 C ATOM 1127 CD1 LEU A 79 11.365 -10.005 7.369 1.00 0.00 C ATOM 1128 CD2 LEU A 79 13.284 -11.049 8.528 1.00 0.00 C ATOM 0 H LEU A 79 10.581 -14.173 5.902 1.00 0.00 H new ATOM 0 HA LEU A 79 11.301 -11.596 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.067 -12.586 7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.709 -13.155 7.174 1.00 0.00 H new ATOM 0 HG LEU A 79 13.184 -10.673 6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.760 -9.020 7.618 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.806 -9.947 6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.704 -10.343 8.167 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.659 -10.055 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.615 -11.388 9.319 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.121 -11.741 8.439 1.00 0.00 H new ATOM 1140 N ASP A 80 13.554 -13.928 4.453 1.00 0.00 N ATOM 1141 CA ASP A 80 14.734 -14.177 3.612 1.00 0.00 C ATOM 1142 C ASP A 80 14.299 -14.253 2.144 1.00 0.00 C ATOM 1143 O ASP A 80 15.044 -13.854 1.254 1.00 0.00 O ATOM 1144 CB ASP A 80 15.439 -15.475 4.039 1.00 0.00 C ATOM 1145 CG ASP A 80 16.964 -15.341 4.099 1.00 0.00 C ATOM 1146 OD1 ASP A 80 17.471 -14.831 5.128 1.00 0.00 O ATOM 1147 OD2 ASP A 80 17.694 -15.794 3.194 1.00 0.00 O ATOM 0 H ASP A 80 13.162 -14.761 4.892 1.00 0.00 H new ATOM 0 HA ASP A 80 15.443 -13.358 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.068 -15.777 5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 80 15.178 -16.270 3.340 1.00 0.00 H new ATOM 1152 N ARG A 81 13.071 -14.717 1.879 1.00 0.00 N ATOM 1153 CA ARG A 81 12.520 -14.891 0.541 1.00 0.00 C ATOM 1154 C ARG A 81 12.566 -13.574 -0.236 1.00 0.00 C ATOM 1155 O ARG A 81 13.219 -13.526 -1.278 1.00 0.00 O ATOM 1156 CB ARG A 81 11.110 -15.501 0.621 1.00 0.00 C ATOM 1157 CG ARG A 81 10.724 -16.052 -0.753 1.00 0.00 C ATOM 1158 CD ARG A 81 9.270 -16.507 -0.825 1.00 0.00 C ATOM 1159 NE ARG A 81 9.090 -17.940 -0.534 1.00 0.00 N ATOM 1160 CZ ARG A 81 8.697 -18.503 0.616 1.00 0.00 C ATOM 1161 NH1 ARG A 81 8.355 -17.773 1.670 1.00 0.00 N ATOM 1162 NH2 ARG A 81 8.636 -19.823 0.725 1.00 0.00 N ATOM 0 H ARG A 81 12.419 -14.988 2.615 1.00 0.00 H new ATOM 0 HA ARG A 81 13.135 -15.597 -0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.086 -16.297 1.365 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.391 -14.746 0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.897 -15.285 -1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.374 -16.892 -0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.679 -15.924 -0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.879 -16.294 -1.820 1.00 0.00 H new ATOM 0 HE ARG A 81 9.289 -18.581 -1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.387 -16.755 1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.060 -18.230 2.533 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.889 -20.412 -0.068 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.336 -20.249 1.602 1.00 0.00 H new ATOM 1176 N TYR A 82 11.898 -12.520 0.252 1.00 0.00 N ATOM 1177 CA TYR A 82 11.951 -11.199 -0.372 1.00 0.00 C ATOM 1178 C TYR A 82 13.394 -10.723 -0.520 1.00 0.00 C ATOM 1179 O TYR A 82 13.745 -10.124 -1.538 1.00 0.00 O ATOM 1180 CB TYR A 82 11.099 -10.161 0.381 1.00 0.00 C ATOM 1181 CG TYR A 82 11.805 -9.449 1.520 1.00 0.00 C ATOM 1182 CD1 TYR A 82 12.728 -8.421 1.249 1.00 0.00 C ATOM 1183 CD2 TYR A 82 11.546 -9.818 2.849 1.00 0.00 C ATOM 1184 CE1 TYR A 82 13.405 -7.780 2.297 1.00 0.00 C ATOM 1185 CE2 TYR A 82 12.193 -9.146 3.902 1.00 0.00 C ATOM 1186 CZ TYR A 82 13.127 -8.128 3.636 1.00 0.00 C ATOM 1187 OH TYR A 82 13.774 -7.493 4.650 1.00 0.00 O ATOM 0 H TYR A 82 11.311 -12.562 1.085 1.00 0.00 H new ATOM 0 HA TYR A 82 11.519 -11.299 -1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.751 -9.414 -0.332 1.00 0.00 H new ATOM 0 HB3 TYR A 82 10.215 -10.660 0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 82 12.916 -8.124 0.228 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.851 -10.617 3.063 1.00 0.00 H new ATOM 0 HE1 TYR A 82 14.140 -7.019 2.079 1.00 0.00 H new ATOM 0 HE2 TYR A 82 11.971 -9.414 4.924 1.00 0.00 H new ATOM 0 HH TYR A 82 13.156 -6.880 5.099 1.00 0.00 H new ATOM 1197 N ARG A 83 14.242 -10.958 0.491 1.00 0.00 N ATOM 1198 CA ARG A 83 15.601 -10.426 0.479 1.00 0.00 C ATOM 1199 C ARG A 83 16.433 -11.043 -0.647 1.00 0.00 C ATOM 1200 O ARG A 83 17.451 -10.467 -1.034 1.00 0.00 O ATOM 1201 CB ARG A 83 16.284 -10.697 1.832 1.00 0.00 C ATOM 1202 CG ARG A 83 15.731 -9.732 2.872 1.00 0.00 C ATOM 1203 CD ARG A 83 16.284 -9.832 4.295 1.00 0.00 C ATOM 1204 NE ARG A 83 17.425 -8.923 4.492 1.00 0.00 N ATOM 1205 CZ ARG A 83 18.636 -9.026 3.940 1.00 0.00 C ATOM 1206 NH1 ARG A 83 19.090 -10.202 3.532 1.00 0.00 N ATOM 1207 NH2 ARG A 83 19.385 -7.942 3.794 1.00 0.00 N ATOM 0 H ARG A 83 14.009 -11.508 1.318 1.00 0.00 H new ATOM 0 HA ARG A 83 15.537 -9.352 0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 83 16.107 -11.727 2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 83 17.363 -10.573 1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.905 -8.717 2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.651 -9.873 2.920 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.498 -9.592 5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.595 -10.857 4.495 1.00 0.00 H new ATOM 0 HE ARG A 83 17.274 -8.131 5.116 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.513 -11.036 3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 83 20.016 -10.273 3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 83 19.035 -7.035 4.103 1.00 0.00 H new ATOM 0 HH22 ARG A 83 20.311 -8.015 3.373 1.00 0.00 H new ATOM 1221 N ARG A 84 16.025 -12.199 -1.178 1.00 0.00 N ATOM 1222 CA ARG A 84 16.685 -12.888 -2.283 1.00 0.00 C ATOM 1223 C ARG A 84 15.971 -12.643 -3.604 1.00 0.00 C ATOM 1224 O ARG A 84 16.345 -13.252 -4.606 1.00 0.00 O ATOM 1225 CB ARG A 84 16.783 -14.389 -1.964 1.00 0.00 C ATOM 1226 CG ARG A 84 17.664 -14.604 -0.733 1.00 0.00 C ATOM 1227 CD ARG A 84 18.002 -16.077 -0.518 1.00 0.00 C ATOM 1228 NE ARG A 84 18.795 -16.200 0.704 1.00 0.00 N ATOM 1229 CZ ARG A 84 20.089 -15.913 0.844 1.00 0.00 C ATOM 1230 NH1 ARG A 84 20.864 -15.643 -0.205 1.00 0.00 N ATOM 1231 NH2 ARG A 84 20.583 -15.866 2.069 1.00 0.00 N ATOM 0 H ARG A 84 15.200 -12.694 -0.838 1.00 0.00 H new ATOM 0 HA ARG A 84 17.692 -12.485 -2.396 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.788 -14.797 -1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.199 -14.924 -2.817 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.586 -14.033 -0.844 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.154 -14.217 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 84 17.089 -16.667 -0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.558 -16.466 -1.371 1.00 0.00 H new ATOM 0 HE ARG A 84 18.309 -16.540 1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 84 20.470 -15.653 -1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 84 21.851 -15.427 -0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 84 19.978 -16.046 2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 84 21.569 -15.649 2.213 1.00 0.00 H new ATOM 1245 N ASP A 85 14.949 -11.794 -3.653 1.00 0.00 N ATOM 1246 CA ASP A 85 14.265 -11.493 -4.906 1.00 0.00 C ATOM 1247 C ASP A 85 15.189 -10.734 -5.863 1.00 0.00 C ATOM 1248 O ASP A 85 16.188 -10.129 -5.461 1.00 0.00 O ATOM 1249 CB ASP A 85 13.024 -10.649 -4.639 1.00 0.00 C ATOM 1250 CG ASP A 85 12.236 -10.443 -5.928 1.00 0.00 C ATOM 1251 OD1 ASP A 85 11.992 -11.437 -6.640 1.00 0.00 O ATOM 1252 OD2 ASP A 85 12.026 -9.272 -6.303 1.00 0.00 O ATOM 0 H ASP A 85 14.577 -11.303 -2.840 1.00 0.00 H new ATOM 0 HA ASP A 85 13.976 -12.438 -5.365 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.396 -11.139 -3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.315 -9.684 -4.224 1.00 0.00 H new ATOM 1257 N TYR A 86 14.835 -10.707 -7.140 1.00 0.00 N ATOM 1258 CA TYR A 86 15.541 -9.951 -8.149 1.00 0.00 C ATOM 1259 C TYR A 86 15.303 -8.443 -7.986 1.00 0.00 C ATOM 1260 O TYR A 86 16.241 -7.644 -8.079 1.00 0.00 O ATOM 1261 CB TYR A 86 15.091 -10.456 -9.519 1.00 0.00 C ATOM 1262 CG TYR A 86 16.169 -10.347 -10.565 1.00 0.00 C ATOM 1263 CD1 TYR A 86 17.158 -11.347 -10.634 1.00 0.00 C ATOM 1264 CD2 TYR A 86 16.180 -9.273 -11.472 1.00 0.00 C ATOM 1265 CE1 TYR A 86 18.118 -11.313 -11.655 1.00 0.00 C ATOM 1266 CE2 TYR A 86 17.160 -9.217 -12.479 1.00 0.00 C ATOM 1267 CZ TYR A 86 18.120 -10.248 -12.584 1.00 0.00 C ATOM 1268 OH TYR A 86 19.043 -10.194 -13.574 1.00 0.00 O ATOM 0 H TYR A 86 14.033 -11.222 -7.504 1.00 0.00 H new ATOM 0 HA TYR A 86 16.616 -10.098 -8.043 1.00 0.00 H new ATOM 0 HB2 TYR A 86 14.779 -11.497 -9.433 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.219 -9.887 -9.842 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.177 -12.140 -9.901 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.437 -8.493 -11.396 1.00 0.00 H new ATOM 0 HE1 TYR A 86 18.855 -12.099 -11.731 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.179 -8.388 -13.171 1.00 0.00 H new ATOM 0 HH TYR A 86 18.892 -9.393 -14.119 1.00 0.00 H new ATOM 1278 N PHE A 87 14.058 -8.037 -7.739 1.00 0.00 N ATOM 1279 CA PHE A 87 13.638 -6.645 -7.673 1.00 0.00 C ATOM 1280 C PHE A 87 13.645 -6.167 -6.221 1.00 0.00 C ATOM 1281 O PHE A 87 14.388 -5.246 -5.883 1.00 0.00 O ATOM 1282 CB PHE A 87 12.258 -6.521 -8.335 1.00 0.00 C ATOM 1283 CG PHE A 87 11.695 -5.117 -8.347 1.00 0.00 C ATOM 1284 CD1 PHE A 87 12.020 -4.236 -9.397 1.00 0.00 C ATOM 1285 CD2 PHE A 87 10.835 -4.691 -7.317 1.00 0.00 C ATOM 1286 CE1 PHE A 87 11.491 -2.935 -9.412 1.00 0.00 C ATOM 1287 CE2 PHE A 87 10.307 -3.389 -7.334 1.00 0.00 C ATOM 1288 CZ PHE A 87 10.633 -2.511 -8.384 1.00 0.00 C ATOM 0 H PHE A 87 13.293 -8.691 -7.575 1.00 0.00 H new ATOM 0 HA PHE A 87 14.331 -6.001 -8.215 1.00 0.00 H new ATOM 0 HB2 PHE A 87 12.327 -6.880 -9.362 1.00 0.00 H new ATOM 0 HB3 PHE A 87 11.559 -7.175 -7.815 1.00 0.00 H new ATOM 0 HD1 PHE A 87 12.676 -4.561 -10.191 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.581 -5.366 -6.513 1.00 0.00 H new ATOM 0 HE1 PHE A 87 11.744 -2.259 -10.216 1.00 0.00 H new ATOM 0 HE2 PHE A 87 9.651 -3.062 -6.541 1.00 0.00 H new ATOM 0 HZ PHE A 87 10.224 -1.512 -8.399 1.00 0.00 H new ATOM 1298 N TRP A 88 12.851 -6.798 -5.347 1.00 0.00 N ATOM 1299 CA TRP A 88 12.561 -6.369 -3.976 1.00 0.00 C ATOM 1300 C TRP A 88 13.812 -6.192 -3.100 1.00 0.00 C ATOM 1301 O TRP A 88 13.745 -5.448 -2.123 1.00 0.00 O ATOM 1302 CB TRP A 88 11.550 -7.330 -3.332 1.00 0.00 C ATOM 1303 CG TRP A 88 10.124 -7.182 -3.781 1.00 0.00 C ATOM 1304 CD1 TRP A 88 9.548 -7.725 -4.880 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.054 -6.471 -3.099 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.204 -7.409 -4.908 1.00 0.00 N ATOM 1307 CE2 TRP A 88 7.840 -6.644 -3.824 1.00 0.00 C ATOM 1308 CE3 TRP A 88 8.999 -5.699 -1.925 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 6.629 -6.087 -3.394 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 7.785 -5.166 -1.458 1.00 0.00 C ATOM 1311 CH2 TRP A 88 6.599 -5.367 -2.188 1.00 0.00 C ATOM 0 H TRP A 88 12.370 -7.664 -5.590 1.00 0.00 H new ATOM 0 HA TRP A 88 12.123 -5.373 -4.042 1.00 0.00 H new ATOM 0 HB2 TRP A 88 11.870 -8.352 -3.535 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.586 -7.193 -2.251 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.063 -8.316 -5.623 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.561 -7.706 -5.642 1.00 0.00 H new ATOM 0 HE3 TRP A 88 9.907 -5.512 -1.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.731 -6.209 -3.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 7.763 -4.601 -0.538 1.00 0.00 H new ATOM 0 HH2 TRP A 88 5.665 -4.968 -1.821 1.00 0.00 H new ATOM 1322 N GLN A 89 14.962 -6.768 -3.468 1.00 0.00 N ATOM 1323 CA GLN A 89 16.270 -6.477 -2.897 1.00 0.00 C ATOM 1324 C GLN A 89 16.560 -4.988 -2.719 1.00 0.00 C ATOM 1325 O GLN A 89 17.126 -4.595 -1.694 1.00 0.00 O ATOM 1326 CB GLN A 89 17.338 -7.056 -3.831 1.00 0.00 C ATOM 1327 CG GLN A 89 17.816 -8.399 -3.304 1.00 0.00 C ATOM 1328 CD GLN A 89 19.064 -8.843 -4.050 1.00 0.00 C ATOM 1329 OE1 GLN A 89 20.178 -8.702 -3.553 1.00 0.00 O ATOM 1330 NE2 GLN A 89 18.909 -9.320 -5.272 1.00 0.00 N ATOM 0 H GLN A 89 15.002 -7.476 -4.201 1.00 0.00 H new ATOM 0 HA GLN A 89 16.283 -6.923 -1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.930 -7.174 -4.835 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.178 -6.366 -3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 89 18.028 -8.324 -2.238 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.029 -9.144 -3.421 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.973 -9.428 -5.662 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.725 -9.581 -5.825 1.00 0.00 H new ATOM 1339 N THR A 90 16.217 -4.168 -3.713 1.00 0.00 N ATOM 1340 CA THR A 90 16.483 -2.736 -3.645 1.00 0.00 C ATOM 1341 C THR A 90 15.786 -2.132 -2.413 1.00 0.00 C ATOM 1342 O THR A 90 16.386 -1.341 -1.684 1.00 0.00 O ATOM 1343 CB THR A 90 16.111 -2.081 -4.989 1.00 0.00 C ATOM 1344 OG1 THR A 90 16.651 -0.789 -5.075 1.00 0.00 O ATOM 1345 CG2 THR A 90 14.609 -1.979 -5.241 1.00 0.00 C ATOM 0 H THR A 90 15.756 -4.472 -4.571 1.00 0.00 H new ATOM 0 HA THR A 90 17.545 -2.537 -3.502 1.00 0.00 H new ATOM 0 HB THR A 90 16.531 -2.742 -5.747 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.406 -0.389 -5.935 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.433 -1.507 -6.208 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.171 -2.977 -5.240 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.148 -1.380 -4.455 1.00 0.00 H new ATOM 1353 N TYR A 91 14.579 -2.603 -2.096 1.00 0.00 N ATOM 1354 CA TYR A 91 13.754 -2.132 -0.997 1.00 0.00 C ATOM 1355 C TYR A 91 14.088 -2.818 0.336 1.00 0.00 C ATOM 1356 O TYR A 91 13.346 -2.660 1.303 1.00 0.00 O ATOM 1357 CB TYR A 91 12.280 -2.326 -1.379 1.00 0.00 C ATOM 1358 CG TYR A 91 11.815 -1.383 -2.468 1.00 0.00 C ATOM 1359 CD1 TYR A 91 11.582 -0.037 -2.138 1.00 0.00 C ATOM 1360 CD2 TYR A 91 11.585 -1.843 -3.781 1.00 0.00 C ATOM 1361 CE1 TYR A 91 11.111 0.863 -3.107 1.00 0.00 C ATOM 1362 CE2 TYR A 91 11.124 -0.944 -4.759 1.00 0.00 C ATOM 1363 CZ TYR A 91 10.885 0.408 -4.424 1.00 0.00 C ATOM 1364 OH TYR A 91 10.422 1.261 -5.371 1.00 0.00 O ATOM 0 H TYR A 91 14.136 -3.355 -2.624 1.00 0.00 H new ATOM 0 HA TYR A 91 13.960 -1.074 -0.835 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.130 -3.354 -1.709 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.660 -2.182 -0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.767 0.308 -1.131 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.762 -2.878 -4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.923 1.894 -2.847 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.952 -1.287 -5.768 1.00 0.00 H new ATOM 0 HH TYR A 91 10.536 0.859 -6.257 1.00 0.00 H new ATOM 1374 N ALA A 92 15.181 -3.578 0.462 1.00 0.00 N ATOM 1375 CA ALA A 92 15.427 -4.382 1.653 1.00 0.00 C ATOM 1376 C ALA A 92 15.752 -3.531 2.885 1.00 0.00 C ATOM 1377 O ALA A 92 15.969 -4.105 3.953 1.00 0.00 O ATOM 1378 CB ALA A 92 16.515 -5.426 1.378 1.00 0.00 C ATOM 0 H ALA A 92 15.908 -3.650 -0.250 1.00 0.00 H new ATOM 0 HA ALA A 92 14.501 -4.906 1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.687 -6.018 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.194 -6.081 0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.439 -4.922 1.093 1.00 0.00 H new ATOM 1384 N ALA A 93 15.795 -2.197 2.768 1.00 0.00 N ATOM 1385 CA ALA A 93 15.925 -1.326 3.921 1.00 0.00 C ATOM 1386 C ALA A 93 14.588 -1.063 4.646 1.00 0.00 C ATOM 1387 O ALA A 93 14.612 -0.616 5.791 1.00 0.00 O ATOM 1388 CB ALA A 93 16.620 -0.012 3.545 1.00 0.00 C ATOM 0 H ALA A 93 15.741 -1.705 1.876 1.00 0.00 H new ATOM 0 HA ALA A 93 16.553 -1.860 4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.704 0.621 4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.616 -0.225 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.035 0.504 2.783 1.00 0.00 H new ATOM 1394 N TRP A 94 13.428 -1.350 4.033 1.00 0.00 N ATOM 1395 CA TRP A 94 12.115 -0.982 4.587 1.00 0.00 C ATOM 1396 C TRP A 94 11.225 -2.195 4.894 1.00 0.00 C ATOM 1397 O TRP A 94 10.091 -2.013 5.326 1.00 0.00 O ATOM 1398 CB TRP A 94 11.363 -0.028 3.638 1.00 0.00 C ATOM 1399 CG TRP A 94 12.028 1.269 3.284 1.00 0.00 C ATOM 1400 CD1 TRP A 94 11.632 2.489 3.716 1.00 0.00 C ATOM 1401 CD2 TRP A 94 13.093 1.523 2.314 1.00 0.00 C ATOM 1402 NE1 TRP A 94 12.387 3.464 3.098 1.00 0.00 N ATOM 1403 CE2 TRP A 94 13.330 2.925 2.253 1.00 0.00 C ATOM 1404 CE3 TRP A 94 13.821 0.721 1.413 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 14.301 3.479 1.409 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 14.809 1.260 0.567 1.00 0.00 C ATOM 1407 CH2 TRP A 94 15.068 2.641 0.586 1.00 0.00 C ATOM 0 H TRP A 94 13.374 -1.843 3.141 1.00 0.00 H new ATOM 0 HA TRP A 94 12.324 -0.480 5.532 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.162 -0.566 2.712 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.398 0.202 4.089 1.00 0.00 H new ATOM 0 HD1 TRP A 94 10.846 2.671 4.434 1.00 0.00 H new ATOM 0 HE1 TRP A 94 12.261 4.465 3.249 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.615 -0.338 1.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.459 4.547 1.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 15.366 0.614 -0.095 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.853 3.055 -0.029 1.00 0.00 H new ATOM 1418 N ILE A 95 11.690 -3.425 4.654 1.00 0.00 N ATOM 1419 CA ILE A 95 10.855 -4.628 4.667 1.00 0.00 C ATOM 1420 C ILE A 95 11.097 -5.373 5.995 1.00 0.00 C ATOM 1421 O ILE A 95 12.048 -6.152 6.091 1.00 0.00 O ATOM 1422 CB ILE A 95 11.143 -5.475 3.394 1.00 0.00 C ATOM 1423 CG1 ILE A 95 10.954 -4.731 2.053 1.00 0.00 C ATOM 1424 CG2 ILE A 95 10.243 -6.717 3.312 1.00 0.00 C ATOM 1425 CD1 ILE A 95 11.594 -5.443 0.840 1.00 0.00 C ATOM 0 H ILE A 95 12.670 -3.614 4.443 1.00 0.00 H new ATOM 0 HA ILE A 95 9.793 -4.388 4.627 1.00 0.00 H new ATOM 0 HB ILE A 95 12.196 -5.731 3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.887 -4.607 1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 95 11.381 -3.732 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 95 10.479 -7.278 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.412 -7.347 4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 95 9.198 -6.408 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.416 -4.857 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.667 -5.544 1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.150 -6.432 0.723 1.00 0.00 H new ATOM 1437 N GLN A 96 10.290 -5.116 7.032 1.00 0.00 N ATOM 1438 CA GLN A 96 10.387 -5.778 8.347 1.00 0.00 C ATOM 1439 C GLN A 96 9.364 -6.921 8.514 1.00 0.00 C ATOM 1440 O GLN A 96 8.396 -6.977 7.747 1.00 0.00 O ATOM 1441 CB GLN A 96 10.245 -4.744 9.482 1.00 0.00 C ATOM 1442 CG GLN A 96 9.152 -3.691 9.297 1.00 0.00 C ATOM 1443 CD GLN A 96 8.793 -2.941 10.583 1.00 0.00 C ATOM 1444 OE1 GLN A 96 7.633 -2.584 10.783 1.00 0.00 O ATOM 1445 NE2 GLN A 96 9.731 -2.678 11.475 1.00 0.00 N ATOM 0 H GLN A 96 9.536 -4.430 6.984 1.00 0.00 H new ATOM 0 HA GLN A 96 11.375 -6.234 8.404 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.053 -5.279 10.412 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.199 -4.231 9.601 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.477 -2.971 8.546 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.256 -4.175 8.907 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.692 -2.975 11.307 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.494 -2.178 12.332 1.00 0.00 H new ATOM 1454 N PRO A 97 9.547 -7.828 9.494 1.00 0.00 N ATOM 1455 CA PRO A 97 8.569 -8.863 9.819 1.00 0.00 C ATOM 1456 C PRO A 97 7.325 -8.285 10.508 1.00 0.00 C ATOM 1457 O PRO A 97 7.408 -7.288 11.225 1.00 0.00 O ATOM 1458 CB PRO A 97 9.285 -9.838 10.759 1.00 0.00 C ATOM 1459 CG PRO A 97 10.354 -8.976 11.428 1.00 0.00 C ATOM 1460 CD PRO A 97 10.726 -7.968 10.343 1.00 0.00 C ATOM 0 HA PRO A 97 8.215 -9.349 8.910 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.599 -10.265 11.491 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.727 -10.671 10.212 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.971 -8.482 12.321 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.214 -9.570 11.736 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.006 -7.010 10.781 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.582 -8.316 9.765 1.00 0.00 H new ATOM 1468 N MET A 98 6.192 -8.964 10.326 1.00 0.00 N ATOM 1469 CA MET A 98 4.969 -8.807 11.102 1.00 0.00 C ATOM 1470 C MET A 98 5.146 -9.370 12.515 1.00 0.00 C ATOM 1471 O MET A 98 6.216 -9.872 12.872 1.00 0.00 O ATOM 1472 CB MET A 98 3.802 -9.498 10.380 1.00 0.00 C ATOM 1473 CG MET A 98 3.371 -8.726 9.139 1.00 0.00 C ATOM 1474 SD MET A 98 1.733 -9.194 8.518 1.00 0.00 S ATOM 1475 CE MET A 98 2.187 -10.216 7.100 1.00 0.00 C ATOM 0 H MET A 98 6.102 -9.672 9.597 1.00 0.00 H new ATOM 0 HA MET A 98 4.744 -7.744 11.194 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.097 -10.508 10.096 1.00 0.00 H new ATOM 0 HB3 MET A 98 2.957 -9.592 11.062 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.372 -7.660 9.367 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.107 -8.884 8.351 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.284 -10.566 6.600 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.783 -9.627 6.403 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.769 -11.073 7.440 1.00 0.00 H new