USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 545 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 Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 20:sc= -1.92! USER MOD Single : A 16 SER OG : rot -144:sc= -0.649 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 112:sc= 1.2 USER MOD Single : A 34 ASN : amide:sc= -4.05! C(o=-4.1!,f=-8.8!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 15:sc= 0.654 USER MOD Single : A 42 ASN : amide:sc= -4.14! C(o=-4.1!,f=-1.9!) USER MOD Single : A 43 HIS : no HD1:sc= -17.2! C(o=-17!,f=-19!) USER MOD Single : A 44 SER OG : rot 72:sc= -0.202! USER MOD Single : A 48 ASN : amide:sc= -0.0552 K(o=-0.055,f=-1.1) USER MOD Single : A 54 SER OG : rot 180:sc= -0.42 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0644 X(o=-0.064,f=-0.51) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.475 USER MOD Single : A 64 THR OG1 : rot -104:sc= 0.0958 USER MOD Single : A 65 TYR OH : rot 180:sc= -1.56! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 54:sc= 0.0838 USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 5 8.108 4.363 -1.856 1.00 0.00 N ATOM 70 CA PRO A 5 6.826 4.940 -1.397 1.00 0.00 C ATOM 71 C PRO A 5 6.693 4.802 0.122 1.00 0.00 C ATOM 72 O PRO A 5 7.451 4.099 0.761 1.00 0.00 O ATOM 73 CB PRO A 5 5.776 4.095 -2.109 1.00 0.00 C ATOM 74 CG PRO A 5 6.449 2.789 -2.393 1.00 0.00 C ATOM 75 CD PRO A 5 7.929 3.058 -2.505 1.00 0.00 C ATOM 0 HA PRO A 5 6.732 6.003 -1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.893 3.955 -1.485 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.443 4.574 -3.029 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.248 2.073 -1.596 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.067 2.354 -3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.513 2.283 -2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.252 3.083 -3.546 1.00 0.00 H new ATOM 83 N ALA A 6 5.738 5.471 0.703 1.00 0.00 N ATOM 84 CA ALA A 6 5.553 5.385 2.176 1.00 0.00 C ATOM 85 C ALA A 6 4.636 4.211 2.532 1.00 0.00 C ATOM 86 O ALA A 6 4.701 3.666 3.616 1.00 0.00 O ATOM 87 CB ALA A 6 4.904 6.712 2.571 1.00 0.00 C ATOM 0 H ALA A 6 5.075 6.076 0.218 1.00 0.00 H new ATOM 0 HA ALA A 6 6.494 5.218 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.734 6.728 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.563 7.535 2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.952 6.820 2.052 1.00 0.00 H new ATOM 93 N ILE A 7 3.776 3.823 1.631 1.00 0.00 N ATOM 94 CA ILE A 7 2.850 2.686 1.920 1.00 0.00 C ATOM 95 C ILE A 7 3.628 1.461 2.418 1.00 0.00 C ATOM 96 O ILE A 7 3.311 0.887 3.441 1.00 0.00 O ATOM 97 CB ILE A 7 2.133 2.383 0.591 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.582 0.953 0.610 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.101 2.521 -0.590 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.759 0.735 1.879 1.00 0.00 C ATOM 0 H ILE A 7 3.673 4.242 0.707 1.00 0.00 H new ATOM 0 HA ILE A 7 2.139 2.938 2.707 1.00 0.00 H new ATOM 0 HB ILE A 7 1.318 3.097 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.963 0.780 -0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.402 0.236 0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.575 2.303 -1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.491 3.538 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.927 1.820 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.369 -0.283 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.391 0.890 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.070 1.442 1.901 1.00 0.00 H new ATOM 112 N TYR A 8 4.637 1.055 1.703 1.00 0.00 N ATOM 113 CA TYR A 8 5.427 -0.136 2.130 1.00 0.00 C ATOM 114 C TYR A 8 5.879 0.009 3.583 1.00 0.00 C ATOM 115 O TYR A 8 6.045 -0.965 4.290 1.00 0.00 O ATOM 116 CB TYR A 8 6.627 -0.168 1.183 1.00 0.00 C ATOM 117 CG TYR A 8 6.158 -0.430 -0.234 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.810 -0.719 -0.494 1.00 0.00 C ATOM 119 CD2 TYR A 8 7.076 -0.383 -1.289 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.385 -0.960 -1.803 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.647 -0.624 -2.600 1.00 0.00 C ATOM 122 CZ TYR A 8 5.303 -0.912 -2.857 1.00 0.00 C ATOM 123 OH TYR A 8 4.882 -1.151 -4.150 1.00 0.00 O ATOM 0 H TYR A 8 4.951 1.496 0.839 1.00 0.00 H new ATOM 0 HA TYR A 8 4.846 -1.057 2.083 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.163 0.780 1.229 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.326 -0.945 1.494 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.100 -0.755 0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.114 -0.161 -1.092 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.347 -1.183 -2.001 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.356 -0.587 -3.414 1.00 0.00 H new ATOM 0 HH TYR A 8 5.645 -1.078 -4.761 1.00 0.00 H new ATOM 133 N ILE A 9 6.073 1.213 4.038 1.00 0.00 N ATOM 134 CA ILE A 9 6.506 1.404 5.450 1.00 0.00 C ATOM 135 C ILE A 9 5.367 1.023 6.395 1.00 0.00 C ATOM 136 O ILE A 9 4.237 1.431 6.216 1.00 0.00 O ATOM 137 CB ILE A 9 6.839 2.891 5.572 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.030 3.222 4.669 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.194 3.219 7.023 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.497 4.652 4.944 1.00 0.00 C ATOM 0 H ILE A 9 5.952 2.070 3.498 1.00 0.00 H new ATOM 0 HA ILE A 9 7.362 0.782 5.711 1.00 0.00 H new ATOM 0 HB ILE A 9 5.975 3.482 5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.844 2.521 4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.747 3.116 3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.431 4.279 7.109 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.347 2.983 7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.057 2.628 7.329 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.345 4.888 4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.682 5.347 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.797 4.742 5.988 1.00 0.00 H new ATOM 152 N GLY A 10 5.650 0.231 7.390 1.00 0.00 N ATOM 153 CA GLY A 10 4.577 -0.187 8.329 1.00 0.00 C ATOM 154 C GLY A 10 3.454 -0.833 7.522 1.00 0.00 C ATOM 155 O GLY A 10 2.291 -0.720 7.850 1.00 0.00 O ATOM 0 H GLY A 10 6.577 -0.144 7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.969 -0.890 9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.200 0.674 8.881 1.00 0.00 H new ATOM 159 N ALA A 11 3.800 -1.501 6.454 1.00 0.00 N ATOM 160 CA ALA A 11 2.749 -2.148 5.609 1.00 0.00 C ATOM 161 C ALA A 11 2.953 -3.664 5.548 1.00 0.00 C ATOM 162 O ALA A 11 3.658 -4.239 6.353 1.00 0.00 O ATOM 163 CB ALA A 11 2.924 -1.531 4.222 1.00 0.00 C ATOM 0 H ALA A 11 4.759 -1.627 6.130 1.00 0.00 H new ATOM 0 HA ALA A 11 1.749 -1.986 6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.187 -1.955 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.783 -0.452 4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.927 -1.746 3.852 1.00 0.00 H new ATOM 169 N THR A 12 2.336 -4.314 4.595 1.00 0.00 N ATOM 170 CA THR A 12 2.492 -5.796 4.480 1.00 0.00 C ATOM 171 C THR A 12 2.307 -6.230 3.027 1.00 0.00 C ATOM 172 O THR A 12 1.203 -6.425 2.575 1.00 0.00 O ATOM 173 CB THR A 12 1.377 -6.382 5.350 1.00 0.00 C ATOM 174 OG1 THR A 12 1.732 -6.263 6.720 1.00 0.00 O ATOM 175 CG2 THR A 12 1.171 -7.858 4.996 1.00 0.00 C ATOM 0 H THR A 12 1.733 -3.885 3.893 1.00 0.00 H new ATOM 0 HA THR A 12 3.479 -6.132 4.797 1.00 0.00 H new ATOM 0 HB THR A 12 0.451 -5.837 5.169 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.425 -5.578 6.820 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.377 -8.274 5.616 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.894 -7.945 3.945 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.095 -8.407 5.174 1.00 0.00 H new ATOM 183 N VAL A 13 3.370 -6.384 2.292 1.00 0.00 N ATOM 184 CA VAL A 13 3.224 -6.804 0.866 1.00 0.00 C ATOM 185 C VAL A 13 3.305 -8.329 0.751 1.00 0.00 C ATOM 186 O VAL A 13 3.559 -9.023 1.714 1.00 0.00 O ATOM 187 CB VAL A 13 4.395 -6.141 0.132 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.557 -4.698 0.615 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.686 -6.914 0.416 1.00 0.00 C ATOM 0 H VAL A 13 4.328 -6.239 2.610 1.00 0.00 H new ATOM 0 HA VAL A 13 2.263 -6.508 0.445 1.00 0.00 H new ATOM 0 HB VAL A 13 4.193 -6.147 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.390 -4.230 0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.642 -4.141 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.754 -4.693 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.516 -6.440 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.884 -6.911 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.578 -7.942 0.070 1.00 0.00 H new ATOM 199 N GLY A 14 3.092 -8.852 -0.426 1.00 0.00 N ATOM 200 CA GLY A 14 3.160 -10.328 -0.607 1.00 0.00 C ATOM 201 C GLY A 14 4.592 -10.731 -0.963 1.00 0.00 C ATOM 202 O GLY A 14 5.518 -9.970 -0.762 1.00 0.00 O ATOM 0 H GLY A 14 2.874 -8.320 -1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.845 -10.832 0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.476 -10.641 -1.396 1.00 0.00 H new ATOM 206 N PRO A 15 4.725 -11.920 -1.482 1.00 0.00 N ATOM 207 CA PRO A 15 6.059 -12.435 -1.873 1.00 0.00 C ATOM 208 C PRO A 15 6.544 -11.745 -3.152 1.00 0.00 C ATOM 209 O PRO A 15 7.663 -11.278 -3.230 1.00 0.00 O ATOM 210 CB PRO A 15 5.810 -13.920 -2.119 1.00 0.00 C ATOM 211 CG PRO A 15 4.355 -14.022 -2.454 1.00 0.00 C ATOM 212 CD PRO A 15 3.656 -12.887 -1.750 1.00 0.00 C ATOM 0 HA PRO A 15 6.826 -12.255 -1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.429 -14.294 -2.935 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.054 -14.512 -1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.203 -13.959 -3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.952 -14.982 -2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.873 -12.454 -2.372 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.181 -13.222 -0.828 1.00 0.00 H new ATOM 220 N SER A 16 5.710 -11.677 -4.154 1.00 0.00 N ATOM 221 CA SER A 16 6.123 -11.019 -5.425 1.00 0.00 C ATOM 222 C SER A 16 6.493 -9.555 -5.166 1.00 0.00 C ATOM 223 O SER A 16 7.549 -9.093 -5.552 1.00 0.00 O ATOM 224 CB SER A 16 4.898 -11.109 -6.334 1.00 0.00 C ATOM 225 OG SER A 16 4.188 -9.878 -6.291 1.00 0.00 O ATOM 0 H SER A 16 4.760 -12.049 -4.147 1.00 0.00 H new ATOM 0 HA SER A 16 6.997 -11.494 -5.871 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.205 -11.329 -7.356 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.252 -11.926 -6.013 1.00 0.00 H new ATOM 0 HG SER A 16 3.225 -10.054 -6.343 1.00 0.00 H new ATOM 231 N VAL A 17 5.634 -8.824 -4.510 1.00 0.00 N ATOM 232 CA VAL A 17 5.941 -7.395 -4.225 1.00 0.00 C ATOM 233 C VAL A 17 7.200 -7.297 -3.365 1.00 0.00 C ATOM 234 O VAL A 17 8.132 -6.592 -3.690 1.00 0.00 O ATOM 235 CB VAL A 17 4.726 -6.871 -3.459 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.952 -5.406 -3.082 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.481 -6.983 -4.343 1.00 0.00 C ATOM 0 H VAL A 17 4.735 -9.154 -4.160 1.00 0.00 H new ATOM 0 HA VAL A 17 6.125 -6.820 -5.133 1.00 0.00 H new ATOM 0 HB VAL A 17 4.585 -7.461 -2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.086 -5.033 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.839 -5.325 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.093 -4.815 -3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.613 -6.610 -3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.623 -6.392 -5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.319 -8.027 -4.613 1.00 0.00 H new ATOM 247 N TRP A 18 7.238 -8.008 -2.272 1.00 0.00 N ATOM 248 CA TRP A 18 8.446 -7.957 -1.400 1.00 0.00 C ATOM 249 C TRP A 18 9.707 -8.046 -2.258 1.00 0.00 C ATOM 250 O TRP A 18 10.483 -7.115 -2.343 1.00 0.00 O ATOM 251 CB TRP A 18 8.332 -9.181 -0.494 1.00 0.00 C ATOM 252 CG TRP A 18 9.546 -9.272 0.372 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.723 -9.826 0.001 1.00 0.00 C ATOM 254 CD2 TRP A 18 9.724 -8.808 1.741 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.613 -9.730 1.056 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.045 -9.110 2.151 1.00 0.00 C ATOM 257 CE3 TRP A 18 8.878 -8.160 2.658 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.508 -8.782 3.425 1.00 0.00 C ATOM 259 CZ3 TRP A 18 9.341 -7.827 3.941 1.00 0.00 C ATOM 260 CH2 TRP A 18 10.654 -8.138 4.324 1.00 0.00 C ATOM 0 H TRP A 18 6.489 -8.619 -1.946 1.00 0.00 H new ATOM 0 HA TRP A 18 8.508 -7.032 -0.827 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.436 -9.108 0.123 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.232 -10.084 -1.096 1.00 0.00 H new ATOM 0 HD1 TRP A 18 10.933 -10.270 -0.961 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.572 -10.075 1.028 1.00 0.00 H new ATOM 0 HE3 TRP A 18 7.865 -7.917 2.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.520 -9.024 3.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 8.682 -7.329 4.637 1.00 0.00 H new ATOM 0 HH2 TRP A 18 11.004 -7.880 5.312 1.00 0.00 H new ATOM 271 N ALA A 19 9.914 -9.163 -2.897 1.00 0.00 N ATOM 272 CA ALA A 19 11.123 -9.323 -3.755 1.00 0.00 C ATOM 273 C ALA A 19 11.361 -8.055 -4.579 1.00 0.00 C ATOM 274 O ALA A 19 12.480 -7.609 -4.740 1.00 0.00 O ATOM 275 CB ALA A 19 10.805 -10.506 -4.670 1.00 0.00 C ATOM 0 H ALA A 19 9.297 -9.975 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 19 12.026 -9.492 -3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.649 -10.689 -5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.620 -11.394 -4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.919 -10.280 -5.263 1.00 0.00 H new ATOM 281 N TYR A 20 10.319 -7.473 -5.101 1.00 0.00 N ATOM 282 CA TYR A 20 10.489 -6.233 -5.915 1.00 0.00 C ATOM 283 C TYR A 20 11.098 -5.117 -5.060 1.00 0.00 C ATOM 284 O TYR A 20 12.207 -4.676 -5.293 1.00 0.00 O ATOM 285 CB TYR A 20 9.077 -5.854 -6.360 1.00 0.00 C ATOM 286 CG TYR A 20 9.146 -4.677 -7.305 1.00 0.00 C ATOM 287 CD1 TYR A 20 10.165 -4.608 -8.261 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.192 -3.656 -7.222 1.00 0.00 C ATOM 289 CE1 TYR A 20 10.229 -3.517 -9.136 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.257 -2.564 -8.097 1.00 0.00 C ATOM 291 CZ TYR A 20 9.276 -2.496 -9.054 1.00 0.00 C ATOM 292 OH TYR A 20 9.340 -1.420 -9.916 1.00 0.00 O ATOM 0 H TYR A 20 9.358 -7.799 -5.001 1.00 0.00 H new ATOM 0 HA TYR A 20 11.157 -6.385 -6.763 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.599 -6.701 -6.852 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.466 -5.603 -5.493 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.901 -5.395 -8.324 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.406 -3.710 -6.483 1.00 0.00 H new ATOM 0 HE1 TYR A 20 11.015 -3.463 -9.875 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.522 -1.776 -8.033 1.00 0.00 H new ATOM 0 HH TYR A 20 8.603 -0.803 -9.725 1.00 0.00 H new ATOM 302 N LEU A 21 10.381 -4.659 -4.072 1.00 0.00 N ATOM 303 CA LEU A 21 10.914 -3.576 -3.200 1.00 0.00 C ATOM 304 C LEU A 21 12.382 -3.847 -2.864 1.00 0.00 C ATOM 305 O LEU A 21 13.188 -2.940 -2.782 1.00 0.00 O ATOM 306 CB LEU A 21 10.050 -3.631 -1.940 1.00 0.00 C ATOM 307 CG LEU A 21 10.126 -2.294 -1.203 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.358 -2.392 0.116 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.590 -1.955 -0.914 1.00 0.00 C ATOM 0 H LEU A 21 9.447 -4.989 -3.830 1.00 0.00 H new ATOM 0 HA LEU A 21 10.876 -2.597 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.016 -3.852 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.391 -4.436 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 21 9.685 -1.513 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.413 -1.438 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.315 -2.635 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.798 -3.173 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.646 -1.002 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.029 -2.737 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.139 -1.884 -1.853 1.00 0.00 H new ATOM 321 N VAL A 22 12.739 -5.088 -2.673 1.00 0.00 N ATOM 322 CA VAL A 22 14.158 -5.412 -2.348 1.00 0.00 C ATOM 323 C VAL A 22 15.068 -4.951 -3.485 1.00 0.00 C ATOM 324 O VAL A 22 16.035 -4.247 -3.276 1.00 0.00 O ATOM 325 CB VAL A 22 14.200 -6.933 -2.211 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.654 -7.395 -2.089 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.427 -7.353 -0.959 1.00 0.00 C ATOM 0 H VAL A 22 12.111 -5.890 -2.728 1.00 0.00 H new ATOM 0 HA VAL A 22 14.500 -4.916 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 22 13.746 -7.389 -3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.684 -8.480 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.207 -7.095 -2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.108 -6.939 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.456 -8.438 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.882 -6.896 -0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.391 -7.024 -1.044 1.00 0.00 H new ATOM 337 N ALA A 23 14.761 -5.342 -4.688 1.00 0.00 N ATOM 338 CA ALA A 23 15.602 -4.925 -5.844 1.00 0.00 C ATOM 339 C ALA A 23 15.789 -3.407 -5.825 1.00 0.00 C ATOM 340 O ALA A 23 16.847 -2.898 -6.138 1.00 0.00 O ATOM 341 CB ALA A 23 14.817 -5.356 -7.083 1.00 0.00 C ATOM 0 H ALA A 23 13.963 -5.933 -4.922 1.00 0.00 H new ATOM 0 HA ALA A 23 16.596 -5.372 -5.821 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.373 -5.082 -7.980 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.669 -6.436 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.848 -4.857 -7.091 1.00 0.00 H new ATOM 347 N LEU A 24 14.769 -2.682 -5.456 1.00 0.00 N ATOM 348 CA LEU A 24 14.884 -1.200 -5.411 1.00 0.00 C ATOM 349 C LEU A 24 15.924 -0.785 -4.366 1.00 0.00 C ATOM 350 O LEU A 24 16.682 0.144 -4.562 1.00 0.00 O ATOM 351 CB LEU A 24 13.492 -0.714 -5.011 1.00 0.00 C ATOM 352 CG LEU A 24 13.224 0.651 -5.647 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.406 0.553 -7.163 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.790 1.085 -5.334 1.00 0.00 C ATOM 0 H LEU A 24 13.859 -3.055 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 24 15.206 -0.776 -6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.738 -1.432 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.419 -0.642 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 24 13.923 1.383 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.215 1.526 -7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.426 0.242 -7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.707 -0.179 -7.567 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.597 2.058 -5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.092 0.352 -5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.658 1.155 -4.254 1.00 0.00 H new ATOM 366 N VAL A 25 15.963 -1.470 -3.256 1.00 0.00 N ATOM 367 CA VAL A 25 16.953 -1.122 -2.193 1.00 0.00 C ATOM 368 C VAL A 25 17.672 -2.391 -1.709 1.00 0.00 C ATOM 369 O VAL A 25 18.720 -2.746 -2.212 1.00 0.00 O ATOM 370 CB VAL A 25 16.129 -0.473 -1.064 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.756 -1.145 -0.954 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.867 -0.612 0.270 1.00 0.00 C ATOM 0 H VAL A 25 15.352 -2.257 -3.037 1.00 0.00 H new ATOM 0 HA VAL A 25 17.728 -0.444 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 25 15.995 0.583 -1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.185 -0.677 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.219 -1.032 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.886 -2.205 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 25 16.277 -0.150 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 25 17.015 -1.668 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.836 -0.117 0.203 1.00 0.00 H new ATOM 382 N GLY A 26 17.125 -3.073 -0.739 1.00 0.00 N ATOM 383 CA GLY A 26 17.785 -4.309 -0.234 1.00 0.00 C ATOM 384 C GLY A 26 17.012 -4.844 0.973 1.00 0.00 C ATOM 385 O GLY A 26 16.140 -4.185 1.505 1.00 0.00 O ATOM 0 H GLY A 26 16.250 -2.827 -0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.819 -5.063 -1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.816 -4.094 0.047 1.00 0.00 H new ATOM 389 N ALA A 27 17.320 -6.036 1.406 1.00 0.00 N ATOM 390 CA ALA A 27 16.600 -6.614 2.574 1.00 0.00 C ATOM 391 C ALA A 27 16.860 -5.783 3.833 1.00 0.00 C ATOM 392 O ALA A 27 16.114 -5.842 4.790 1.00 0.00 O ATOM 393 CB ALA A 27 17.174 -8.022 2.733 1.00 0.00 C ATOM 0 H ALA A 27 18.040 -6.634 1.001 1.00 0.00 H new ATOM 0 HA ALA A 27 15.520 -6.625 2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.694 -8.518 3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.991 -8.594 1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.247 -7.959 2.912 1.00 0.00 H new ATOM 399 N ALA A 28 17.910 -5.007 3.842 1.00 0.00 N ATOM 400 CA ALA A 28 18.206 -4.178 5.041 1.00 0.00 C ATOM 401 C ALA A 28 17.196 -3.038 5.149 1.00 0.00 C ATOM 402 O ALA A 28 16.428 -2.963 6.087 1.00 0.00 O ATOM 403 CB ALA A 28 19.615 -3.632 4.811 1.00 0.00 C ATOM 0 H ALA A 28 18.573 -4.913 3.072 1.00 0.00 H new ATOM 0 HA ALA A 28 18.142 -4.749 5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.906 -3.008 5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.315 -4.462 4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.630 -3.036 3.898 1.00 0.00 H new ATOM 409 N ALA A 29 17.180 -2.157 4.189 1.00 0.00 N ATOM 410 CA ALA A 29 16.204 -1.034 4.240 1.00 0.00 C ATOM 411 C ALA A 29 14.786 -1.599 4.183 1.00 0.00 C ATOM 412 O ALA A 29 13.834 -0.969 4.600 1.00 0.00 O ATOM 413 CB ALA A 29 16.496 -0.186 3.002 1.00 0.00 C ATOM 0 H ALA A 29 17.796 -2.165 3.376 1.00 0.00 H new ATOM 0 HA ALA A 29 16.289 -0.444 5.153 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.813 0.663 2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.523 0.176 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.361 -0.792 2.106 1.00 0.00 H new ATOM 419 N VAL A 30 14.642 -2.793 3.674 1.00 0.00 N ATOM 420 CA VAL A 30 13.292 -3.411 3.594 1.00 0.00 C ATOM 421 C VAL A 30 12.835 -3.844 4.990 1.00 0.00 C ATOM 422 O VAL A 30 11.660 -3.843 5.297 1.00 0.00 O ATOM 423 CB VAL A 30 13.464 -4.627 2.684 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.252 -5.549 2.829 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.580 -4.163 1.232 1.00 0.00 C ATOM 0 H VAL A 30 15.404 -3.366 3.310 1.00 0.00 H new ATOM 0 HA VAL A 30 12.541 -2.721 3.209 1.00 0.00 H new ATOM 0 HB VAL A 30 14.367 -5.168 2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.375 -6.416 2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.168 -5.880 3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.348 -5.009 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.703 -5.029 0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.677 -3.622 0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.443 -3.506 1.128 1.00 0.00 H new ATOM 435 N THR A 31 13.759 -4.212 5.838 1.00 0.00 N ATOM 436 CA THR A 31 13.378 -4.642 7.214 1.00 0.00 C ATOM 437 C THR A 31 13.253 -3.423 8.131 1.00 0.00 C ATOM 438 O THR A 31 12.455 -3.401 9.047 1.00 0.00 O ATOM 439 CB THR A 31 14.521 -5.548 7.678 1.00 0.00 C ATOM 440 OG1 THR A 31 14.724 -6.578 6.721 1.00 0.00 O ATOM 441 CG2 THR A 31 14.168 -6.166 9.031 1.00 0.00 C ATOM 0 H THR A 31 14.759 -4.233 5.637 1.00 0.00 H new ATOM 0 HA THR A 31 12.417 -5.156 7.235 1.00 0.00 H new ATOM 0 HB THR A 31 15.434 -4.961 7.778 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.588 -6.447 6.277 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.983 -6.811 9.360 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.014 -5.374 9.764 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.256 -6.755 8.935 1.00 0.00 H new ATOM 449 N ALA A 32 14.036 -2.406 7.891 1.00 0.00 N ATOM 450 CA ALA A 32 13.963 -1.189 8.749 1.00 0.00 C ATOM 451 C ALA A 32 12.710 -0.377 8.408 1.00 0.00 C ATOM 452 O ALA A 32 12.204 0.372 9.220 1.00 0.00 O ATOM 453 CB ALA A 32 15.225 -0.394 8.416 1.00 0.00 C ATOM 0 H ALA A 32 14.723 -2.365 7.138 1.00 0.00 H new ATOM 0 HA ALA A 32 13.904 -1.433 9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.246 0.520 9.009 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.105 -0.995 8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.226 -0.139 7.356 1.00 0.00 H new ATOM 459 N ALA A 33 12.206 -0.517 7.212 1.00 0.00 N ATOM 460 CA ALA A 33 10.987 0.248 6.824 1.00 0.00 C ATOM 461 C ALA A 33 9.734 -0.430 7.387 1.00 0.00 C ATOM 462 O ALA A 33 8.623 -0.035 7.105 1.00 0.00 O ATOM 463 CB ALA A 33 10.972 0.219 5.296 1.00 0.00 C ATOM 0 H ALA A 33 12.585 -1.127 6.488 1.00 0.00 H new ATOM 0 HA ALA A 33 10.997 1.266 7.213 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.101 0.763 4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.879 0.687 4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.925 -0.814 4.952 1.00 0.00 H new ATOM 469 N ASN A 34 9.907 -1.448 8.184 1.00 0.00 N ATOM 470 CA ASN A 34 8.729 -2.154 8.768 1.00 0.00 C ATOM 471 C ASN A 34 7.819 -2.693 7.656 1.00 0.00 C ATOM 472 O ASN A 34 6.737 -2.187 7.413 1.00 0.00 O ATOM 473 CB ASN A 34 8.002 -1.100 9.603 1.00 0.00 C ATOM 474 CG ASN A 34 6.776 -1.732 10.265 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.378 -2.825 9.911 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.157 -1.090 11.217 1.00 0.00 N ATOM 0 H ASN A 34 10.815 -1.823 8.457 1.00 0.00 H new ATOM 0 HA ASN A 34 9.024 -3.013 9.371 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.672 -0.697 10.363 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.698 -0.266 8.971 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.339 -1.505 11.664 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.491 -0.173 11.514 1.00 0.00 H new ATOM 483 N ILE A 35 8.252 -3.727 6.985 1.00 0.00 N ATOM 484 CA ILE A 35 7.422 -4.318 5.896 1.00 0.00 C ATOM 485 C ILE A 35 7.159 -5.796 6.197 1.00 0.00 C ATOM 486 O ILE A 35 8.066 -6.549 6.486 1.00 0.00 O ATOM 487 CB ILE A 35 8.262 -4.166 4.627 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.235 -2.705 4.171 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.687 -5.053 3.519 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.439 -2.429 3.270 1.00 0.00 C ATOM 0 H ILE A 35 9.147 -4.189 7.145 1.00 0.00 H new ATOM 0 HA ILE A 35 6.452 -3.830 5.795 1.00 0.00 H new ATOM 0 HB ILE A 35 9.289 -4.467 4.836 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.310 -2.498 3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.256 -2.043 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.288 -4.943 2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.704 -6.094 3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.660 -4.754 3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.420 -1.389 2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.359 -2.619 3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.398 -3.082 2.398 1.00 0.00 H new ATOM 502 N ARG A 36 5.926 -6.215 6.138 1.00 0.00 N ATOM 503 CA ARG A 36 5.614 -7.644 6.429 1.00 0.00 C ATOM 504 C ARG A 36 5.216 -8.375 5.145 1.00 0.00 C ATOM 505 O ARG A 36 4.516 -7.842 4.305 1.00 0.00 O ATOM 506 CB ARG A 36 4.438 -7.601 7.403 1.00 0.00 C ATOM 507 CG ARG A 36 4.927 -7.144 8.778 1.00 0.00 C ATOM 508 CD ARG A 36 3.934 -7.599 9.850 1.00 0.00 C ATOM 509 NE ARG A 36 4.744 -7.717 11.095 1.00 0.00 N ATOM 510 CZ ARG A 36 4.283 -7.245 12.220 1.00 0.00 C ATOM 511 NH1 ARG A 36 3.029 -7.421 12.537 1.00 0.00 N ATOM 512 NH2 ARG A 36 5.074 -6.596 13.029 1.00 0.00 N ATOM 0 H ARG A 36 5.122 -5.633 5.902 1.00 0.00 H new ATOM 0 HA ARG A 36 6.471 -8.175 6.843 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.672 -6.920 7.034 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.979 -8.587 7.478 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.914 -7.560 8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.028 -6.059 8.798 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.125 -6.878 9.971 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.475 -8.552 9.585 1.00 0.00 H new ATOM 0 HE ARG A 36 5.659 -8.167 11.067 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.409 -7.928 11.905 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.669 -7.052 13.417 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.054 -6.457 12.782 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.713 -6.227 13.909 1.00 0.00 H new ATOM 526 N ARG A 37 5.654 -9.594 4.987 1.00 0.00 N ATOM 527 CA ARG A 37 5.296 -10.362 3.761 1.00 0.00 C ATOM 528 C ARG A 37 3.926 -11.020 3.945 1.00 0.00 C ATOM 529 O ARG A 37 3.479 -11.242 5.052 1.00 0.00 O ATOM 530 CB ARG A 37 6.389 -11.421 3.617 1.00 0.00 C ATOM 531 CG ARG A 37 7.333 -11.030 2.478 1.00 0.00 C ATOM 532 CD ARG A 37 7.742 -12.282 1.698 1.00 0.00 C ATOM 533 NE ARG A 37 8.877 -12.861 2.469 1.00 0.00 N ATOM 534 CZ ARG A 37 8.773 -14.055 2.986 1.00 0.00 C ATOM 535 NH1 ARG A 37 8.682 -15.098 2.206 1.00 0.00 N ATOM 536 NH2 ARG A 37 8.759 -14.206 4.282 1.00 0.00 N ATOM 0 H ARG A 37 6.244 -10.091 5.654 1.00 0.00 H new ATOM 0 HA ARG A 37 5.233 -9.729 2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.946 -11.513 4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.942 -12.395 3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.842 -10.319 1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.217 -10.534 2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.915 -12.988 1.622 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.042 -12.033 0.680 1.00 0.00 H new ATOM 0 HE ARG A 37 9.736 -12.325 2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.692 -14.980 1.193 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.601 -16.031 2.610 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.829 -13.391 4.891 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.678 -15.139 4.686 1.00 0.00 H new ATOM 550 N ALA A 38 3.255 -11.330 2.871 1.00 0.00 N ATOM 551 CA ALA A 38 1.914 -11.969 2.994 1.00 0.00 C ATOM 552 C ALA A 38 1.826 -13.204 2.093 1.00 0.00 C ATOM 553 O ALA A 38 2.637 -13.400 1.211 1.00 0.00 O ATOM 554 CB ALA A 38 0.926 -10.895 2.537 1.00 0.00 C ATOM 0 H ALA A 38 3.575 -11.169 1.916 1.00 0.00 H new ATOM 0 HA ALA A 38 1.709 -12.309 4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.090 -11.286 2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.017 -10.020 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.146 -10.613 1.507 1.00 0.00 H new ATOM 560 N SER A 39 0.845 -14.037 2.311 1.00 0.00 N ATOM 561 CA SER A 39 0.703 -15.262 1.471 1.00 0.00 C ATOM 562 C SER A 39 0.751 -14.897 -0.015 1.00 0.00 C ATOM 563 O SER A 39 1.145 -15.690 -0.846 1.00 0.00 O ATOM 564 CB SER A 39 -0.664 -15.836 1.838 1.00 0.00 C ATOM 565 OG SER A 39 -0.595 -17.255 1.832 1.00 0.00 O ATOM 0 H SER A 39 0.135 -13.923 3.035 1.00 0.00 H new ATOM 0 HA SER A 39 1.507 -15.977 1.646 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.968 -15.480 2.822 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.417 -15.494 1.128 1.00 0.00 H new ATOM 0 HG SER A 39 -1.471 -17.626 2.069 1.00 0.00 H new ATOM 571 N SER A 40 0.352 -13.703 -0.355 1.00 0.00 N ATOM 572 CA SER A 40 0.374 -13.289 -1.788 1.00 0.00 C ATOM 573 C SER A 40 0.044 -11.799 -1.913 1.00 0.00 C ATOM 574 O SER A 40 -0.030 -11.086 -0.932 1.00 0.00 O ATOM 575 CB SER A 40 -0.703 -14.136 -2.463 1.00 0.00 C ATOM 576 OG SER A 40 -0.173 -15.421 -2.759 1.00 0.00 O ATOM 0 H SER A 40 0.012 -12.996 0.296 1.00 0.00 H new ATOM 0 HA SER A 40 1.352 -13.437 -2.245 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.571 -14.229 -1.810 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.043 -13.651 -3.378 1.00 0.00 H new ATOM 0 HG SER A 40 0.658 -15.555 -2.258 1.00 0.00 H new ATOM 582 N ASP A 41 -0.157 -11.325 -3.111 1.00 0.00 N ATOM 583 CA ASP A 41 -0.483 -9.881 -3.297 1.00 0.00 C ATOM 584 C ASP A 41 -1.751 -9.523 -2.519 1.00 0.00 C ATOM 585 O ASP A 41 -2.051 -8.365 -2.302 1.00 0.00 O ATOM 586 CB ASP A 41 -0.711 -9.717 -4.800 1.00 0.00 C ATOM 587 CG ASP A 41 0.624 -9.442 -5.493 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.354 -8.591 -5.014 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.894 -10.088 -6.493 1.00 0.00 O ATOM 0 H ASP A 41 -0.110 -11.874 -3.970 1.00 0.00 H new ATOM 0 HA ASP A 41 0.309 -9.227 -2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.166 -10.619 -5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.405 -8.897 -4.986 1.00 0.00 H new ATOM 594 N ASN A 42 -2.500 -10.505 -2.100 1.00 0.00 N ATOM 595 CA ASN A 42 -3.748 -10.218 -1.338 1.00 0.00 C ATOM 596 C ASN A 42 -3.479 -10.282 0.169 1.00 0.00 C ATOM 597 O ASN A 42 -3.320 -11.346 0.734 1.00 0.00 O ATOM 598 CB ASN A 42 -4.727 -11.318 -1.748 1.00 0.00 C ATOM 599 CG ASN A 42 -6.156 -10.871 -1.436 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.943 -10.641 -2.332 1.00 0.00 O ATOM 601 ND2 ASN A 42 -6.527 -10.736 -0.192 1.00 0.00 N ATOM 0 H ASN A 42 -2.302 -11.494 -2.252 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.137 -9.222 -1.551 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.626 -11.532 -2.812 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.498 -12.241 -1.214 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.477 -10.438 0.027 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.867 -10.929 0.561 1.00 0.00 H new ATOM 608 N HIS A 43 -3.432 -9.156 0.826 1.00 0.00 N ATOM 609 CA HIS A 43 -3.180 -9.164 2.294 1.00 0.00 C ATOM 610 C HIS A 43 -3.911 -8.004 2.964 1.00 0.00 C ATOM 611 O HIS A 43 -4.537 -7.191 2.314 1.00 0.00 O ATOM 612 CB HIS A 43 -1.668 -9.004 2.460 1.00 0.00 C ATOM 613 CG HIS A 43 -1.134 -7.987 1.481 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.050 -6.634 1.783 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.614 -8.121 0.219 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.490 -6.015 0.722 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.210 -6.878 -0.259 1.00 0.00 N ATOM 0 H HIS A 43 -3.557 -8.233 0.411 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.540 -10.083 2.757 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.439 -8.692 3.479 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.175 -9.963 2.302 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.531 -9.052 -0.323 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.293 -4.954 0.672 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.210 -6.670 -1.165 1.00 0.00 H new ATOM 625 N SER A 44 -3.830 -7.920 4.260 1.00 0.00 N ATOM 626 CA SER A 44 -4.515 -6.808 4.972 1.00 0.00 C ATOM 627 C SER A 44 -3.673 -5.538 4.881 1.00 0.00 C ATOM 628 O SER A 44 -2.459 -5.589 4.848 1.00 0.00 O ATOM 629 CB SER A 44 -4.629 -7.265 6.423 1.00 0.00 C ATOM 630 OG SER A 44 -5.918 -6.930 6.921 1.00 0.00 O ATOM 0 H SER A 44 -3.320 -8.572 4.857 1.00 0.00 H new ATOM 0 HA SER A 44 -5.491 -6.584 4.542 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.468 -8.341 6.491 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.858 -6.789 7.028 1.00 0.00 H new ATOM 0 HG SER A 44 -6.589 -7.516 6.513 1.00 0.00 H new ATOM 636 N CYS A 45 -4.301 -4.401 4.844 1.00 0.00 N ATOM 637 CA CYS A 45 -3.525 -3.134 4.763 1.00 0.00 C ATOM 638 C CYS A 45 -4.175 -2.057 5.630 1.00 0.00 C ATOM 639 O CYS A 45 -5.240 -2.243 6.192 1.00 0.00 O ATOM 640 CB CYS A 45 -3.547 -2.730 3.287 1.00 0.00 C ATOM 641 SG CYS A 45 -5.223 -2.904 2.623 1.00 0.00 S ATOM 0 H CYS A 45 -5.315 -4.292 4.866 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.505 -3.259 5.126 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.209 -1.699 3.178 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.856 -3.354 2.720 1.00 0.00 H new ATOM 646 N ALA A 46 -3.529 -0.934 5.747 1.00 0.00 N ATOM 647 CA ALA A 46 -4.089 0.160 6.586 1.00 0.00 C ATOM 648 C ALA A 46 -4.451 -0.393 7.966 1.00 0.00 C ATOM 649 O ALA A 46 -5.438 -0.010 8.561 1.00 0.00 O ATOM 650 CB ALA A 46 -5.342 0.630 5.848 1.00 0.00 C ATOM 0 H ALA A 46 -2.637 -0.725 5.298 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.384 0.978 6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.812 1.439 6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.067 0.987 4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.042 -0.200 5.754 1.00 0.00 H new ATOM 656 N GLY A 47 -3.663 -1.303 8.469 1.00 0.00 N ATOM 657 CA GLY A 47 -3.964 -1.897 9.801 1.00 0.00 C ATOM 658 C GLY A 47 -5.161 -2.838 9.664 1.00 0.00 C ATOM 659 O GLY A 47 -5.421 -3.374 8.606 1.00 0.00 O ATOM 0 H GLY A 47 -2.823 -1.661 8.014 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.097 -2.442 10.176 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.183 -1.111 10.524 1.00 0.00 H new ATOM 663 N ASN A 48 -5.898 -3.041 10.720 1.00 0.00 N ATOM 664 CA ASN A 48 -7.077 -3.942 10.638 1.00 0.00 C ATOM 665 C ASN A 48 -8.302 -3.167 10.141 1.00 0.00 C ATOM 666 O ASN A 48 -9.412 -3.401 10.573 1.00 0.00 O ATOM 667 CB ASN A 48 -7.299 -4.437 12.068 1.00 0.00 C ATOM 668 CG ASN A 48 -6.376 -5.625 12.346 1.00 0.00 C ATOM 669 OD1 ASN A 48 -6.169 -6.461 11.490 1.00 0.00 O ATOM 670 ND2 ASN A 48 -5.811 -5.736 13.516 1.00 0.00 N ATOM 0 H ASN A 48 -5.734 -2.621 11.635 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.919 -4.766 9.942 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.099 -3.634 12.777 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.340 -4.731 12.205 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.195 -6.525 13.712 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.985 -5.034 14.235 1.00 0.00 H new ATOM 677 N ARG A 49 -8.107 -2.238 9.243 1.00 0.00 N ATOM 678 CA ARG A 49 -9.256 -1.445 8.731 1.00 0.00 C ATOM 679 C ARG A 49 -9.451 -1.674 7.230 1.00 0.00 C ATOM 680 O ARG A 49 -10.554 -1.606 6.724 1.00 0.00 O ATOM 681 CB ARG A 49 -8.871 0.006 9.010 1.00 0.00 C ATOM 682 CG ARG A 49 -9.135 0.326 10.482 1.00 0.00 C ATOM 683 CD ARG A 49 -10.009 1.578 10.588 1.00 0.00 C ATOM 684 NE ARG A 49 -9.464 2.330 11.753 1.00 0.00 N ATOM 685 CZ ARG A 49 -9.978 2.158 12.941 1.00 0.00 C ATOM 686 NH1 ARG A 49 -11.250 2.374 13.140 1.00 0.00 N ATOM 687 NH2 ARG A 49 -9.221 1.769 13.930 1.00 0.00 N ATOM 0 H ARG A 49 -7.200 -1.996 8.843 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.196 -1.725 9.206 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.819 0.167 8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.447 0.676 8.372 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.630 -0.517 10.964 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.192 0.484 11.005 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.959 2.173 9.676 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.056 1.317 10.741 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.689 2.980 11.622 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.843 2.677 12.367 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.651 2.239 14.068 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.227 1.599 13.775 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.623 1.635 14.858 1.00 0.00 H new ATOM 701 N GLY A 50 -8.396 -1.942 6.508 1.00 0.00 N ATOM 702 CA GLY A 50 -8.548 -2.167 5.041 1.00 0.00 C ATOM 703 C GLY A 50 -8.003 -3.548 4.670 1.00 0.00 C ATOM 704 O GLY A 50 -7.293 -4.173 5.433 1.00 0.00 O ATOM 0 H GLY A 50 -7.444 -2.014 6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.598 -2.093 4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.014 -1.394 4.488 1.00 0.00 H new ATOM 708 N TRP A 51 -8.332 -4.030 3.501 1.00 0.00 N ATOM 709 CA TRP A 51 -7.838 -5.370 3.073 1.00 0.00 C ATOM 710 C TRP A 51 -7.536 -5.350 1.571 1.00 0.00 C ATOM 711 O TRP A 51 -7.823 -4.387 0.890 1.00 0.00 O ATOM 712 CB TRP A 51 -8.990 -6.328 3.377 1.00 0.00 C ATOM 713 CG TRP A 51 -8.701 -7.086 4.633 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.376 -6.945 5.797 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.682 -8.099 4.872 1.00 0.00 C ATOM 716 NE1 TRP A 51 -8.835 -7.807 6.735 1.00 0.00 N ATOM 717 CE2 TRP A 51 -7.789 -8.539 6.213 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.686 -8.674 4.063 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -6.936 -9.514 6.733 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -5.826 -9.655 4.583 1.00 0.00 C ATOM 721 CH2 TRP A 51 -5.951 -10.074 5.915 1.00 0.00 C ATOM 0 H TRP A 51 -8.924 -3.551 2.822 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.921 -5.665 3.584 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.920 -5.770 3.484 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.128 -7.021 2.547 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.202 -6.270 5.967 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.169 -7.891 7.695 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.582 -8.359 3.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.037 -9.833 7.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.064 -10.089 3.953 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.287 -10.829 6.309 1.00 0.00 H new ATOM 732 N CYS A 52 -6.954 -6.394 1.042 1.00 0.00 N ATOM 733 CA CYS A 52 -6.642 -6.402 -0.416 1.00 0.00 C ATOM 734 C CYS A 52 -7.566 -7.365 -1.166 1.00 0.00 C ATOM 735 O CYS A 52 -7.494 -8.567 -1.001 1.00 0.00 O ATOM 736 CB CYS A 52 -5.194 -6.879 -0.507 1.00 0.00 C ATOM 737 SG CYS A 52 -4.468 -6.313 -2.064 1.00 0.00 S ATOM 0 H CYS A 52 -6.683 -7.235 1.552 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.784 -5.419 -0.866 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.620 -6.494 0.335 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.154 -7.967 -0.449 1.00 0.00 H new ATOM 742 N ARG A 53 -8.426 -6.844 -1.999 1.00 0.00 N ATOM 743 CA ARG A 53 -9.350 -7.723 -2.774 1.00 0.00 C ATOM 744 C ARG A 53 -9.266 -7.375 -4.260 1.00 0.00 C ATOM 745 O ARG A 53 -8.955 -6.258 -4.625 1.00 0.00 O ATOM 746 CB ARG A 53 -10.753 -7.406 -2.249 1.00 0.00 C ATOM 747 CG ARG A 53 -10.749 -7.332 -0.724 1.00 0.00 C ATOM 748 CD ARG A 53 -11.298 -5.973 -0.296 1.00 0.00 C ATOM 749 NE ARG A 53 -11.234 -5.976 1.190 1.00 0.00 N ATOM 750 CZ ARG A 53 -12.281 -6.323 1.889 1.00 0.00 C ATOM 751 NH1 ARG A 53 -12.690 -7.564 1.882 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.919 -5.431 2.596 1.00 0.00 N ATOM 0 H ARG A 53 -8.529 -5.845 -2.177 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.100 -8.778 -2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.098 -6.459 -2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.453 -8.173 -2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.358 -8.134 -0.306 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.737 -7.468 -0.342 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.705 -5.160 -0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.321 -5.834 -0.646 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.372 -5.707 1.663 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.191 -8.262 1.330 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.508 -7.835 2.428 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.600 -4.462 2.603 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.737 -5.703 3.142 1.00 0.00 H new ATOM 766 N SER A 54 -9.551 -8.309 -5.124 1.00 0.00 N ATOM 767 CA SER A 54 -9.496 -8.001 -6.580 1.00 0.00 C ATOM 768 C SER A 54 -10.337 -6.757 -6.858 1.00 0.00 C ATOM 769 O SER A 54 -9.922 -5.849 -7.551 1.00 0.00 O ATOM 770 CB SER A 54 -10.095 -9.226 -7.270 1.00 0.00 C ATOM 771 OG SER A 54 -11.449 -8.959 -7.608 1.00 0.00 O ATOM 0 H SER A 54 -9.818 -9.265 -4.888 1.00 0.00 H new ATOM 0 HA SER A 54 -8.485 -7.801 -6.935 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.525 -9.467 -8.167 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.037 -10.093 -6.612 1.00 0.00 H new ATOM 0 HG SER A 54 -11.836 -9.742 -8.052 1.00 0.00 H new ATOM 777 N LYS A 55 -11.517 -6.713 -6.310 1.00 0.00 N ATOM 778 CA LYS A 55 -12.403 -5.541 -6.513 1.00 0.00 C ATOM 779 C LYS A 55 -13.020 -5.138 -5.164 1.00 0.00 C ATOM 780 O LYS A 55 -13.263 -5.971 -4.314 1.00 0.00 O ATOM 781 CB LYS A 55 -13.462 -6.045 -7.509 1.00 0.00 C ATOM 782 CG LYS A 55 -14.866 -5.610 -7.081 1.00 0.00 C ATOM 783 CD LYS A 55 -15.891 -6.109 -8.102 1.00 0.00 C ATOM 784 CE LYS A 55 -17.298 -6.004 -7.506 1.00 0.00 C ATOM 785 NZ LYS A 55 -18.135 -5.432 -8.597 1.00 0.00 N ATOM 0 H LYS A 55 -11.908 -7.450 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.894 -4.655 -6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.245 -5.657 -8.504 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.418 -7.132 -7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.097 -6.010 -6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.914 -4.524 -7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.827 -5.519 -9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.676 -7.142 -8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -17.669 -6.980 -7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -17.307 -5.363 -6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -19.115 -5.329 -8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.762 -4.500 -8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.113 -6.067 -9.421 1.00 0.00 H new ATOM 799 N CYS A 56 -13.274 -3.875 -4.959 1.00 0.00 N ATOM 800 CA CYS A 56 -13.872 -3.443 -3.660 1.00 0.00 C ATOM 801 C CYS A 56 -15.389 -3.290 -3.810 1.00 0.00 C ATOM 802 O CYS A 56 -15.909 -3.214 -4.906 1.00 0.00 O ATOM 803 CB CYS A 56 -13.226 -2.090 -3.331 1.00 0.00 C ATOM 804 SG CYS A 56 -11.460 -2.118 -3.744 1.00 0.00 S ATOM 0 H CYS A 56 -13.096 -3.126 -5.628 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.694 -4.171 -2.868 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.724 -1.297 -3.888 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.355 -1.866 -2.272 1.00 0.00 H new ATOM 809 N PHE A 57 -16.105 -3.248 -2.718 1.00 0.00 N ATOM 810 CA PHE A 57 -17.587 -3.103 -2.804 1.00 0.00 C ATOM 811 C PHE A 57 -17.962 -1.642 -3.056 1.00 0.00 C ATOM 812 O PHE A 57 -17.110 -0.783 -3.175 1.00 0.00 O ATOM 813 CB PHE A 57 -18.110 -3.561 -1.444 1.00 0.00 C ATOM 814 CG PHE A 57 -17.980 -5.061 -1.332 1.00 0.00 C ATOM 815 CD1 PHE A 57 -18.754 -5.894 -2.149 1.00 0.00 C ATOM 816 CD2 PHE A 57 -17.085 -5.620 -0.411 1.00 0.00 C ATOM 817 CE1 PHE A 57 -18.633 -7.286 -2.045 1.00 0.00 C ATOM 818 CE2 PHE A 57 -16.964 -7.010 -0.307 1.00 0.00 C ATOM 819 CZ PHE A 57 -17.738 -7.843 -1.124 1.00 0.00 C ATOM 0 H PHE A 57 -15.728 -3.308 -1.772 1.00 0.00 H new ATOM 0 HA PHE A 57 -18.011 -3.686 -3.622 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -17.549 -3.076 -0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -19.153 -3.266 -1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -19.444 -5.464 -2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -16.488 -4.978 0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.230 -7.929 -2.675 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.274 -7.440 0.403 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.644 -8.916 -1.044 1.00 0.00 H new ATOM 829 N ARG A 58 -19.231 -1.352 -3.141 1.00 0.00 N ATOM 830 CA ARG A 58 -19.659 0.049 -3.386 1.00 0.00 C ATOM 831 C ARG A 58 -19.549 0.867 -2.100 1.00 0.00 C ATOM 832 O ARG A 58 -19.161 2.018 -2.116 1.00 0.00 O ATOM 833 CB ARG A 58 -21.114 -0.055 -3.839 1.00 0.00 C ATOM 834 CG ARG A 58 -21.406 1.033 -4.874 1.00 0.00 C ATOM 835 CD ARG A 58 -21.331 0.432 -6.279 1.00 0.00 C ATOM 836 NE ARG A 58 -22.745 0.366 -6.744 1.00 0.00 N ATOM 837 CZ ARG A 58 -23.273 1.380 -7.371 1.00 0.00 C ATOM 838 NH1 ARG A 58 -22.757 2.571 -7.234 1.00 0.00 N ATOM 839 NH2 ARG A 58 -24.315 1.204 -8.136 1.00 0.00 N ATOM 0 H ARG A 58 -19.990 -2.028 -3.051 1.00 0.00 H new ATOM 0 HA ARG A 58 -19.038 0.548 -4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.303 -1.039 -4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.781 0.054 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -22.394 1.459 -4.701 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -20.687 1.846 -4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -20.726 1.051 -6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -20.874 -0.558 -6.262 1.00 0.00 H new ATOM 0 HE ARG A 58 -23.300 -0.472 -6.572 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -21.941 2.708 -6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -23.169 3.365 -7.724 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -24.717 0.273 -8.244 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -24.728 1.998 -8.626 1.00 0.00 H new ATOM 853 N HIS A 59 -19.876 0.279 -0.984 1.00 0.00 N ATOM 854 CA HIS A 59 -19.779 1.024 0.301 1.00 0.00 C ATOM 855 C HIS A 59 -18.309 1.284 0.639 1.00 0.00 C ATOM 856 O HIS A 59 -17.992 1.977 1.585 1.00 0.00 O ATOM 857 CB HIS A 59 -20.419 0.104 1.342 1.00 0.00 C ATOM 858 CG HIS A 59 -21.912 0.112 1.168 1.00 0.00 C ATOM 859 ND1 HIS A 59 -22.547 0.960 0.274 1.00 0.00 N ATOM 860 CD2 HIS A 59 -22.910 -0.618 1.766 1.00 0.00 C ATOM 861 CE1 HIS A 59 -23.868 0.723 0.359 1.00 0.00 C ATOM 862 NE2 HIS A 59 -24.144 -0.230 1.254 1.00 0.00 N ATOM 0 H HIS A 59 -20.206 -0.683 -0.906 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.275 1.994 0.261 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -20.035 -0.910 1.232 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -20.158 0.437 2.347 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.760 -1.378 2.519 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -24.615 1.240 -0.225 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -25.062 -0.595 1.507 1.00 0.00 H new ATOM 870 N GLU A 60 -17.409 0.730 -0.129 1.00 0.00 N ATOM 871 CA GLU A 60 -15.961 0.941 0.144 1.00 0.00 C ATOM 872 C GLU A 60 -15.258 1.456 -1.115 1.00 0.00 C ATOM 873 O GLU A 60 -15.881 1.689 -2.131 1.00 0.00 O ATOM 874 CB GLU A 60 -15.433 -0.442 0.519 1.00 0.00 C ATOM 875 CG GLU A 60 -15.643 -0.682 2.014 1.00 0.00 C ATOM 876 CD GLU A 60 -14.514 -1.563 2.552 1.00 0.00 C ATOM 877 OE1 GLU A 60 -14.403 -2.692 2.102 1.00 0.00 O ATOM 878 OE2 GLU A 60 -13.778 -1.093 3.405 1.00 0.00 O ATOM 0 H GLU A 60 -17.616 0.140 -0.935 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.787 1.676 0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.949 -1.209 -0.059 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.374 -0.517 0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.662 0.269 2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.606 -1.162 2.184 1.00 0.00 H new ATOM 885 N TYR A 61 -13.966 1.627 -1.059 1.00 0.00 N ATOM 886 CA TYR A 61 -13.231 2.117 -2.259 1.00 0.00 C ATOM 887 C TYR A 61 -11.892 1.396 -2.393 1.00 0.00 C ATOM 888 O TYR A 61 -11.640 0.400 -1.744 1.00 0.00 O ATOM 889 CB TYR A 61 -13.005 3.612 -2.024 1.00 0.00 C ATOM 890 CG TYR A 61 -12.085 3.815 -0.843 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.518 3.495 0.450 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.797 4.330 -1.041 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.665 3.689 1.543 1.00 0.00 C ATOM 894 CE2 TYR A 61 -9.945 4.524 0.053 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.378 4.204 1.345 1.00 0.00 C ATOM 896 OH TYR A 61 -9.537 4.396 2.422 1.00 0.00 O ATOM 0 H TYR A 61 -13.389 1.449 -0.237 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.790 1.932 -3.176 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.573 4.068 -2.915 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -13.958 4.108 -1.843 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.511 3.098 0.604 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.461 4.577 -2.037 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -12.000 3.441 2.539 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.952 4.921 -0.100 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.682 4.759 2.109 1.00 0.00 H new ATOM 906 N VAL A 62 -11.031 1.899 -3.230 1.00 0.00 N ATOM 907 CA VAL A 62 -9.701 1.253 -3.415 1.00 0.00 C ATOM 908 C VAL A 62 -8.607 2.125 -2.800 1.00 0.00 C ATOM 909 O VAL A 62 -8.053 2.983 -3.455 1.00 0.00 O ATOM 910 CB VAL A 62 -9.515 1.153 -4.931 1.00 0.00 C ATOM 911 CG1 VAL A 62 -8.077 0.734 -5.245 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.480 0.110 -5.496 1.00 0.00 C ATOM 0 H VAL A 62 -11.190 2.732 -3.796 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.644 0.277 -2.933 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.719 2.123 -5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.946 0.663 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.386 1.475 -4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.873 -0.236 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.348 0.039 -6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.276 -0.859 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.506 0.406 -5.275 1.00 0.00 H new ATOM 922 N ASP A 63 -8.295 1.914 -1.546 1.00 0.00 N ATOM 923 CA ASP A 63 -7.234 2.736 -0.892 1.00 0.00 C ATOM 924 C ASP A 63 -6.059 2.933 -1.852 1.00 0.00 C ATOM 925 O ASP A 63 -5.166 2.115 -1.929 1.00 0.00 O ATOM 926 CB ASP A 63 -6.797 1.930 0.333 1.00 0.00 C ATOM 927 CG ASP A 63 -6.110 2.857 1.336 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.823 3.986 0.971 1.00 0.00 O ATOM 929 OD2 ASP A 63 -5.881 2.422 2.454 1.00 0.00 O ATOM 0 H ASP A 63 -8.728 1.210 -0.949 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.592 3.727 -0.615 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.662 1.454 0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.116 1.133 0.033 1.00 0.00 H new ATOM 934 N THR A 64 -6.062 4.007 -2.593 1.00 0.00 N ATOM 935 CA THR A 64 -4.953 4.252 -3.559 1.00 0.00 C ATOM 936 C THR A 64 -3.604 4.274 -2.835 1.00 0.00 C ATOM 937 O THR A 64 -2.585 3.914 -3.390 1.00 0.00 O ATOM 938 CB THR A 64 -5.255 5.620 -4.170 1.00 0.00 C ATOM 939 OG1 THR A 64 -5.849 6.455 -3.185 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.215 5.454 -5.349 1.00 0.00 C ATOM 0 H THR A 64 -6.785 4.726 -2.571 1.00 0.00 H new ATOM 0 HA THR A 64 -4.890 3.470 -4.316 1.00 0.00 H new ATOM 0 HB THR A 64 -4.329 6.075 -4.522 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.812 6.526 -3.353 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.430 6.430 -5.784 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.758 4.813 -6.103 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.143 5.000 -5.001 1.00 0.00 H new ATOM 948 N TYR A 65 -3.589 4.701 -1.604 1.00 0.00 N ATOM 949 CA TYR A 65 -2.304 4.753 -0.848 1.00 0.00 C ATOM 950 C TYR A 65 -1.773 3.342 -0.585 1.00 0.00 C ATOM 951 O TYR A 65 -0.612 3.055 -0.802 1.00 0.00 O ATOM 952 CB TYR A 65 -2.652 5.440 0.473 1.00 0.00 C ATOM 953 CG TYR A 65 -1.394 5.998 1.098 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.568 5.168 1.865 1.00 0.00 C ATOM 955 CD2 TYR A 65 -1.057 7.343 0.911 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.597 5.684 2.445 1.00 0.00 C ATOM 957 CE2 TYR A 65 0.109 7.859 1.491 1.00 0.00 C ATOM 958 CZ TYR A 65 0.935 7.030 2.259 1.00 0.00 C ATOM 959 OH TYR A 65 2.084 7.538 2.831 1.00 0.00 O ATOM 0 H TYR A 65 -4.410 5.017 -1.087 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.529 5.283 -1.401 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.371 6.241 0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.123 4.729 1.152 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.829 4.130 2.009 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.695 7.983 0.320 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.235 5.044 3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.371 8.897 1.346 1.00 0.00 H new ATOM 0 HH TYR A 65 2.171 8.487 2.603 1.00 0.00 H new ATOM 969 N TYR A 66 -2.608 2.463 -0.104 1.00 0.00 N ATOM 970 CA TYR A 66 -2.140 1.076 0.189 1.00 0.00 C ATOM 971 C TYR A 66 -2.228 0.190 -1.057 1.00 0.00 C ATOM 972 O TYR A 66 -1.765 -0.935 -1.061 1.00 0.00 O ATOM 973 CB TYR A 66 -3.073 0.571 1.288 1.00 0.00 C ATOM 974 CG TYR A 66 -2.562 1.053 2.623 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.613 0.297 3.323 1.00 0.00 C ATOM 976 CD2 TYR A 66 -3.028 2.260 3.157 1.00 0.00 C ATOM 977 CE1 TYR A 66 -1.132 0.748 4.557 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.545 2.711 4.390 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.597 1.956 5.091 1.00 0.00 C ATOM 980 OH TYR A 66 -1.122 2.401 6.308 1.00 0.00 O ATOM 0 H TYR A 66 -3.591 2.643 0.099 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.095 1.055 0.498 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.086 0.935 1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.119 -0.518 1.273 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.253 -0.634 2.910 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.760 2.843 2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.402 0.164 5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.904 3.643 4.802 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.547 3.255 6.532 1.00 0.00 H new ATOM 990 N SER A 67 -2.801 0.681 -2.120 1.00 0.00 N ATOM 991 CA SER A 67 -2.890 -0.145 -3.355 1.00 0.00 C ATOM 992 C SER A 67 -1.494 -0.655 -3.720 1.00 0.00 C ATOM 993 O SER A 67 -1.338 -1.633 -4.427 1.00 0.00 O ATOM 994 CB SER A 67 -3.415 0.802 -4.433 1.00 0.00 C ATOM 995 OG SER A 67 -2.663 0.616 -5.626 1.00 0.00 O ATOM 0 H SER A 67 -3.209 1.613 -2.187 1.00 0.00 H new ATOM 0 HA SER A 67 -3.538 -1.013 -3.237 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.471 0.609 -4.621 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.335 1.836 -4.096 1.00 0.00 H new ATOM 0 HG SER A 67 -2.997 1.220 -6.321 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.480 0.007 -3.236 1.00 0.00 N ATOM 1002 CA ALA A 68 0.914 -0.420 -3.542 1.00 0.00 C ATOM 1003 C ALA A 68 1.235 -1.738 -2.831 1.00 0.00 C ATOM 1004 O ALA A 68 1.432 -2.757 -3.462 1.00 0.00 O ATOM 1005 CB ALA A 68 1.799 0.708 -3.014 1.00 0.00 C ATOM 0 H ALA A 68 -0.558 0.830 -2.638 1.00 0.00 H new ATOM 0 HA ALA A 68 1.068 -0.592 -4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.845 0.468 -3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.543 1.639 -3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.640 0.823 -1.942 1.00 0.00 H new ATOM 1011 N VAL A 69 1.297 -1.734 -1.524 1.00 0.00 N ATOM 1012 CA VAL A 69 1.612 -3.002 -0.807 1.00 0.00 C ATOM 1013 C VAL A 69 0.761 -4.131 -1.380 1.00 0.00 C ATOM 1014 O VAL A 69 1.171 -5.274 -1.420 1.00 0.00 O ATOM 1015 CB VAL A 69 1.275 -2.747 0.667 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.213 -2.466 0.827 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.647 -3.971 1.499 1.00 0.00 C ATOM 0 H VAL A 69 1.145 -0.918 -0.930 1.00 0.00 H new ATOM 0 HA VAL A 69 2.656 -3.294 -0.917 1.00 0.00 H new ATOM 0 HB VAL A 69 1.842 -1.882 1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.438 -2.287 1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.482 -1.586 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.785 -3.324 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.406 -3.786 2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.086 -4.836 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.715 -4.166 1.401 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.418 -3.815 -1.842 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.296 -4.866 -2.429 1.00 0.00 C ATOM 1029 C CYS A 70 -0.600 -5.519 -3.628 1.00 0.00 C ATOM 1030 O CYS A 70 -0.195 -6.663 -3.573 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.555 -4.122 -2.878 1.00 0.00 C ATOM 1032 SG CYS A 70 -3.885 -4.417 -1.688 1.00 0.00 S ATOM 0 H CYS A 70 -0.811 -2.874 -1.838 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.525 -5.662 -1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.351 -3.054 -2.955 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.857 -4.461 -3.869 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.451 -4.798 -4.708 1.00 0.00 N ATOM 1038 CA GLY A 71 0.225 -5.380 -5.903 1.00 0.00 C ATOM 1039 C GLY A 71 -0.820 -5.770 -6.952 1.00 0.00 C ATOM 1040 O GLY A 71 -1.396 -4.929 -7.611 1.00 0.00 O ATOM 0 H GLY A 71 -0.767 -3.834 -4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.924 -4.658 -6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.807 -6.255 -5.613 1.00 0.00 H new ATOM 1044 N ARG A 72 -1.066 -7.042 -7.110 1.00 0.00 N ATOM 1045 CA ARG A 72 -2.071 -7.488 -8.116 1.00 0.00 C ATOM 1046 C ARG A 72 -3.455 -6.952 -7.748 1.00 0.00 C ATOM 1047 O ARG A 72 -4.121 -6.321 -8.544 1.00 0.00 O ATOM 1048 CB ARG A 72 -2.051 -9.015 -8.043 1.00 0.00 C ATOM 1049 CG ARG A 72 -2.134 -9.597 -9.456 1.00 0.00 C ATOM 1050 CD ARG A 72 -3.479 -10.302 -9.640 1.00 0.00 C ATOM 1051 NE ARG A 72 -4.032 -9.749 -10.907 1.00 0.00 N ATOM 1052 CZ ARG A 72 -3.787 -10.347 -12.040 1.00 0.00 C ATOM 1053 NH1 ARG A 72 -2.556 -10.597 -12.392 1.00 0.00 N ATOM 1054 NH2 ARG A 72 -4.774 -10.696 -12.821 1.00 0.00 N ATOM 0 H ARG A 72 -0.614 -7.792 -6.586 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.845 -7.125 -9.118 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.139 -9.354 -7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.888 -9.372 -7.442 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.024 -8.803 -10.195 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.317 -10.300 -9.619 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.353 -11.383 -9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.145 -10.107 -8.800 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.602 -8.903 -10.889 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.786 -10.325 -11.781 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.364 -11.065 -13.278 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.736 -10.501 -12.545 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.582 -11.164 -13.707 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.893 -7.197 -6.544 1.00 0.00 N ATOM 1069 CA TYR A 73 -5.233 -6.700 -6.122 1.00 0.00 C ATOM 1070 C TYR A 73 -5.127 -5.250 -5.647 1.00 0.00 C ATOM 1071 O TYR A 73 -4.112 -4.603 -5.813 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.647 -7.605 -4.962 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.785 -9.026 -5.445 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -6.378 -9.293 -6.684 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -5.323 -10.080 -4.649 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -6.507 -10.614 -7.127 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -5.452 -11.401 -5.091 1.00 0.00 C ATOM 1078 CZ TYR A 73 -6.045 -11.669 -6.332 1.00 0.00 C ATOM 1079 OH TYR A 73 -6.174 -12.972 -6.768 1.00 0.00 O ATOM 0 H TYR A 73 -3.381 -7.720 -5.834 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.956 -6.723 -6.937 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.905 -7.553 -4.166 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.592 -7.262 -4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.736 -8.480 -7.298 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.866 -9.873 -3.692 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.964 -10.820 -8.084 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.095 -12.214 -4.476 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.801 -13.580 -6.096 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.165 -4.741 -5.046 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.123 -3.337 -4.546 1.00 0.00 C ATOM 1091 C PHE A 74 -6.516 -3.310 -3.070 1.00 0.00 C ATOM 1092 O PHE A 74 -7.395 -4.030 -2.641 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.148 -2.566 -5.380 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.075 -3.003 -6.823 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -6.123 -2.441 -7.679 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -7.965 -3.969 -7.302 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -6.061 -2.846 -9.018 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -7.905 -4.375 -8.640 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.953 -3.813 -9.499 1.00 0.00 C ATOM 0 H PHE A 74 -7.041 -5.235 -4.879 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.129 -2.900 -4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.151 -2.739 -4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.958 -1.495 -5.306 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.436 -1.695 -7.308 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.699 -4.402 -6.639 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.326 -2.413 -9.680 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.593 -5.121 -9.010 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.906 -4.125 -10.532 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.881 -2.484 -2.290 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.235 -2.418 -0.847 1.00 0.00 C ATOM 1111 C CYS A 75 -7.497 -1.574 -0.673 1.00 0.00 C ATOM 1112 O CYS A 75 -7.443 -0.362 -0.641 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.036 -1.749 -0.171 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.491 -1.242 1.506 1.00 0.00 S ATOM 0 H CYS A 75 -5.136 -1.854 -2.587 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.438 -3.399 -0.417 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.193 -2.439 -0.137 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.716 -0.883 -0.750 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.637 -2.203 -0.565 1.00 0.00 N ATOM 1120 CA CYS A 76 -9.893 -1.425 -0.402 1.00 0.00 C ATOM 1121 C CYS A 76 -10.026 -0.961 1.047 1.00 0.00 C ATOM 1122 O CYS A 76 -9.348 -1.448 1.931 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.020 -2.395 -0.761 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.618 -3.255 -2.303 1.00 0.00 S ATOM 0 H CYS A 76 -8.750 -3.217 -0.583 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.915 -0.536 -1.032 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.161 -3.117 0.043 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.959 -1.852 -0.870 1.00 0.00 H new ATOM 1129 N ARG A 77 -10.886 -0.016 1.297 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.051 0.487 2.688 1.00 0.00 C ATOM 1131 C ARG A 77 -12.450 1.071 2.881 1.00 0.00 C ATOM 1132 O ARG A 77 -13.276 1.042 1.991 1.00 0.00 O ATOM 1133 CB ARG A 77 -9.994 1.581 2.833 1.00 0.00 C ATOM 1134 CG ARG A 77 -8.712 0.987 3.416 1.00 0.00 C ATOM 1135 CD ARG A 77 -8.009 2.040 4.273 1.00 0.00 C ATOM 1136 NE ARG A 77 -8.976 2.358 5.360 1.00 0.00 N ATOM 1137 CZ ARG A 77 -8.617 3.134 6.345 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -7.365 3.200 6.702 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -9.513 3.846 6.974 1.00 0.00 N ATOM 0 H ARG A 77 -11.482 0.430 0.599 1.00 0.00 H new ATOM 0 HA ARG A 77 -10.934 -0.303 3.430 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.788 2.032 1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.365 2.375 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.946 0.109 4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.053 0.657 2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.072 1.658 4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.766 2.927 3.688 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.919 1.969 5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.665 2.644 6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.086 3.807 7.472 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.493 3.795 6.695 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.233 4.453 7.744 1.00 0.00 H new ATOM 1153 N SER A 78 -12.721 1.604 4.040 1.00 0.00 N ATOM 1154 CA SER A 78 -14.066 2.195 4.292 1.00 0.00 C ATOM 1155 C SER A 78 -14.005 3.721 4.179 1.00 0.00 C ATOM 1156 O SER A 78 -13.770 4.416 5.146 1.00 0.00 O ATOM 1157 CB SER A 78 -14.425 1.775 5.717 1.00 0.00 C ATOM 1158 OG SER A 78 -13.264 1.850 6.534 1.00 0.00 O ATOM 0 H SER A 78 -12.070 1.656 4.823 1.00 0.00 H new ATOM 0 HA SER A 78 -14.807 1.854 3.569 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.206 2.424 6.114 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.822 0.760 5.720 1.00 0.00 H new ATOM 0 HG SER A 78 -12.871 2.745 6.463 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.218 4.244 3.003 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.175 5.724 2.825 1.00 0.00 C ATOM 1166 C ARG A 79 -15.011 6.410 3.910 1.00 0.00 C ATOM 1167 O ARG A 79 -14.460 7.232 4.623 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.781 5.971 1.444 1.00 0.00 C ATOM 1169 CG ARG A 79 -15.038 7.467 1.256 1.00 0.00 C ATOM 1170 CD ARG A 79 -14.573 7.893 -0.138 1.00 0.00 C ATOM 1171 NE ARG A 79 -13.601 8.994 0.102 1.00 0.00 N ATOM 1172 CZ ARG A 79 -13.943 10.230 -0.140 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -15.175 10.617 0.055 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -13.054 11.080 -0.578 1.00 0.00 N ATOM 1175 OXT ARG A 79 -16.187 6.101 4.007 1.00 0.00 O ATOM 0 H ARG A 79 -14.420 3.711 2.157 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.164 6.123 2.904 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.106 5.608 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.713 5.416 1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.099 7.683 1.379 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.507 8.037 2.018 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -14.107 7.063 -0.670 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -15.411 8.232 -0.748 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.668 8.783 0.456 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -15.870 9.953 0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -15.442 11.583 -0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.092 10.778 -0.731 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.322 12.046 -0.767 1.00 0.00 H new