USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 510 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 34 TYR OH : rot 180:sc= 1.01 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 153:sc= 1.2 (180deg=0.0118) USER MOD Set 2.1: A 33 LYS NZ :NH3+ -164:sc= 0.669 (180deg=0) USER MOD Set 2.2: A 39 SER OG : rot 42:sc= 0.784 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.158 X(o=0.16,f=-0.19) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= 1.1 (180deg=0.907) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 170:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 33:sc= 1.1 USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.21) USER MOD Single : A 51 LYS NZ :NH3+ 134:sc= 0.116 (180deg=0.025) USER MOD Single : A 59 THR OG1 : rot 44:sc= 0.12 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -136:sc= 0.217 (180deg=-1.67!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 162:sc= 1.17 (180deg=0.651) USER MOD ----------------------------------------------------------------- ATOM 52 N LYS A 4 -6.450 11.770 -0.453 1.00 0.00 N ATOM 53 CA LYS A 4 -6.563 11.219 0.937 1.00 0.00 C ATOM 54 C LYS A 4 -5.173 10.830 1.558 1.00 0.00 C ATOM 55 O LYS A 4 -4.248 10.433 0.839 1.00 0.00 O ATOM 56 CB LYS A 4 -7.524 9.999 0.894 1.00 0.00 C ATOM 57 CG LYS A 4 -8.365 9.814 2.176 1.00 0.00 C ATOM 58 CD LYS A 4 -9.358 8.652 1.976 1.00 0.00 C ATOM 59 CE LYS A 4 -10.421 8.511 3.078 1.00 0.00 C ATOM 60 NZ LYS A 4 -11.472 9.567 2.961 1.00 0.00 N ATOM 0 HA LYS A 4 -6.961 11.996 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.197 10.110 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.939 9.095 0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.713 9.607 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.905 10.733 2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.863 8.786 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.796 7.720 1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.884 7.526 3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.944 8.577 4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.174 9.444 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.032 10.506 3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.943 9.487 2.037 1.00 0.00 H new ATOM 74 N GLN A 5 -5.065 10.927 2.898 1.00 0.00 N ATOM 75 CA GLN A 5 -3.823 10.603 3.667 1.00 0.00 C ATOM 76 C GLN A 5 -3.254 9.146 3.525 1.00 0.00 C ATOM 77 O GLN A 5 -3.822 8.273 2.864 1.00 0.00 O ATOM 78 CB GLN A 5 -4.100 10.963 5.163 1.00 0.00 C ATOM 79 CG GLN A 5 -3.761 12.412 5.581 1.00 0.00 C ATOM 80 CD GLN A 5 -4.665 13.499 5.025 1.00 0.00 C ATOM 81 OE1 GLN A 5 -5.869 13.326 4.866 1.00 0.00 O ATOM 82 NE2 GLN A 5 -4.130 14.655 4.704 1.00 0.00 N ATOM 0 H GLN A 5 -5.836 11.233 3.491 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.023 11.200 3.230 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.155 10.782 5.371 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.529 10.280 5.793 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.786 12.469 6.669 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.738 12.627 5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.130 14.807 4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.715 15.400 4.326 1.00 0.00 H new ATOM 91 N LYS A 6 -2.055 8.937 4.098 1.00 0.00 N ATOM 92 CA LYS A 6 -1.274 7.686 3.927 1.00 0.00 C ATOM 93 C LYS A 6 -1.831 6.498 4.765 1.00 0.00 C ATOM 94 O LYS A 6 -2.037 6.610 5.976 1.00 0.00 O ATOM 95 CB LYS A 6 0.227 7.970 4.197 1.00 0.00 C ATOM 96 CG LYS A 6 1.141 7.952 2.958 1.00 0.00 C ATOM 97 CD LYS A 6 1.109 9.128 1.974 1.00 0.00 C ATOM 98 CE LYS A 6 -0.197 9.260 1.182 1.00 0.00 C ATOM 99 NZ LYS A 6 -0.029 10.193 0.051 1.00 0.00 N ATOM 0 H LYS A 6 -1.596 9.626 4.693 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.379 7.358 2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.313 8.945 4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.596 7.232 4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.167 7.851 3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.908 7.049 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.279 10.052 2.527 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.936 9.020 1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.503 8.282 0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.992 9.615 1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.863 10.141 -0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.074 11.163 0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.821 9.934 -0.490 1.00 0.00 H new ATOM 113 N SER A 7 -2.072 5.371 4.083 1.00 0.00 N ATOM 114 CA SER A 7 -2.720 4.182 4.685 1.00 0.00 C ATOM 115 C SER A 7 -1.729 2.993 4.625 1.00 0.00 C ATOM 116 O SER A 7 -1.506 2.428 3.551 1.00 0.00 O ATOM 117 CB SER A 7 -4.024 3.872 3.901 1.00 0.00 C ATOM 118 OG SER A 7 -5.013 4.868 4.150 1.00 0.00 O ATOM 0 H SER A 7 -1.827 5.250 3.100 1.00 0.00 H new ATOM 0 HA SER A 7 -2.980 4.363 5.728 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.809 3.825 2.833 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.405 2.893 4.193 1.00 0.00 H new ATOM 0 HG SER A 7 -5.826 4.655 3.646 1.00 0.00 H new ATOM 124 N GLU A 8 -1.141 2.646 5.776 1.00 0.00 N ATOM 125 CA GLU A 8 -0.108 1.578 5.875 1.00 0.00 C ATOM 126 C GLU A 8 -0.727 0.357 6.625 1.00 0.00 C ATOM 127 O GLU A 8 -0.860 0.382 7.853 1.00 0.00 O ATOM 128 CB GLU A 8 1.164 2.158 6.564 1.00 0.00 C ATOM 129 CG GLU A 8 1.900 3.190 5.672 1.00 0.00 C ATOM 130 CD GLU A 8 3.215 3.731 6.209 1.00 0.00 C ATOM 131 OE1 GLU A 8 3.190 4.517 7.178 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.278 3.429 5.619 1.00 0.00 O ATOM 0 H GLU A 8 -1.359 3.089 6.669 1.00 0.00 H new ATOM 0 HA GLU A 8 0.207 1.226 4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.881 2.631 7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.845 1.343 6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.090 2.729 4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.229 4.032 5.499 1.00 0.00 H new ATOM 139 N ILE A 9 -1.158 -0.688 5.884 1.00 0.00 N ATOM 140 CA ILE A 9 -1.851 -1.868 6.484 1.00 0.00 C ATOM 141 C ILE A 9 -0.981 -3.152 6.219 1.00 0.00 C ATOM 142 O ILE A 9 -0.369 -3.336 5.159 1.00 0.00 O ATOM 143 CB ILE A 9 -3.338 -2.005 5.983 1.00 0.00 C ATOM 144 CG1 ILE A 9 -4.255 -0.820 6.420 1.00 0.00 C ATOM 145 CG2 ILE A 9 -4.011 -3.306 6.497 1.00 0.00 C ATOM 146 CD1 ILE A 9 -4.365 0.290 5.378 1.00 0.00 C ATOM 0 H ILE A 9 -1.042 -0.746 4.872 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.939 -1.731 7.562 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.248 -2.014 4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.252 -1.204 6.635 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.870 -0.398 7.348 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.035 -3.357 6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.452 -4.171 6.139 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.020 -3.305 7.587 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.018 1.078 5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.376 0.703 5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.780 -0.117 4.456 1.00 0.00 H new ATOM 158 N THR A 10 -0.996 -4.042 7.220 1.00 0.00 N ATOM 159 CA THR A 10 -0.120 -5.235 7.299 1.00 0.00 C ATOM 160 C THR A 10 -0.264 -6.323 6.195 1.00 0.00 C ATOM 161 O THR A 10 -1.238 -6.376 5.437 1.00 0.00 O ATOM 162 CB THR A 10 -0.267 -5.804 8.751 1.00 0.00 C ATOM 163 OG1 THR A 10 0.843 -6.641 9.060 1.00 0.00 O ATOM 164 CG2 THR A 10 -1.527 -6.623 9.036 1.00 0.00 C ATOM 0 H THR A 10 -1.627 -3.958 8.017 1.00 0.00 H new ATOM 0 HA THR A 10 0.895 -4.899 7.084 1.00 0.00 H new ATOM 0 HB THR A 10 -0.325 -4.908 9.369 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.745 -6.992 9.970 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.514 -6.961 10.072 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.409 -6.005 8.867 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.557 -7.487 8.372 1.00 0.00 H new ATOM 172 N ALA A 11 0.731 -7.219 6.157 1.00 0.00 N ATOM 173 CA ALA A 11 0.738 -8.396 5.278 1.00 0.00 C ATOM 174 C ALA A 11 -0.279 -9.495 5.672 1.00 0.00 C ATOM 175 O ALA A 11 -0.307 -9.970 6.811 1.00 0.00 O ATOM 176 CB ALA A 11 2.185 -8.918 5.275 1.00 0.00 C ATOM 0 H ALA A 11 1.563 -7.146 6.742 1.00 0.00 H new ATOM 0 HA ALA A 11 0.411 -8.105 4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.253 -9.798 4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.851 -8.142 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.478 -9.185 6.291 1.00 0.00 H new ATOM 382 N SER A 24 2.359 -15.022 1.591 1.00 0.00 N ATOM 383 CA SER A 24 2.458 -13.963 0.562 1.00 0.00 C ATOM 384 C SER A 24 2.822 -12.589 1.174 1.00 0.00 C ATOM 385 O SER A 24 2.176 -12.108 2.110 1.00 0.00 O ATOM 386 CB SER A 24 1.119 -13.925 -0.201 1.00 0.00 C ATOM 387 OG SER A 24 1.206 -13.053 -1.324 1.00 0.00 O ATOM 0 HA SER A 24 3.270 -14.191 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.855 -14.929 -0.533 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.324 -13.590 0.465 1.00 0.00 H new ATOM 0 HG SER A 24 0.410 -13.162 -1.885 1.00 0.00 H new ATOM 393 N LYS A 25 3.869 -11.950 0.633 1.00 0.00 N ATOM 394 CA LYS A 25 4.333 -10.627 1.120 1.00 0.00 C ATOM 395 C LYS A 25 3.431 -9.466 0.619 1.00 0.00 C ATOM 396 O LYS A 25 3.534 -9.036 -0.535 1.00 0.00 O ATOM 397 CB LYS A 25 5.837 -10.461 0.790 1.00 0.00 C ATOM 398 CG LYS A 25 6.248 -10.495 -0.689 1.00 0.00 C ATOM 399 CD LYS A 25 7.476 -11.362 -1.005 1.00 0.00 C ATOM 400 CE LYS A 25 7.183 -12.870 -0.993 1.00 0.00 C ATOM 401 NZ LYS A 25 8.402 -13.618 -1.406 1.00 0.00 N ATOM 0 H LYS A 25 4.416 -12.322 -0.143 1.00 0.00 H new ATOM 0 HA LYS A 25 4.235 -10.581 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.170 -9.512 1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.384 -11.248 1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.405 -10.859 -1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.448 -9.475 -1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.865 -11.084 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.259 -11.147 -0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.872 -13.183 0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.359 -13.096 -1.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.203 -14.639 -1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.679 -13.327 -2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.177 -13.411 -0.744 1.00 0.00 H new ATOM 415 N ALA A 26 2.530 -8.986 1.492 1.00 0.00 N ATOM 416 CA ALA A 26 1.538 -7.949 1.132 1.00 0.00 C ATOM 417 C ALA A 26 1.824 -6.627 1.877 1.00 0.00 C ATOM 418 O ALA A 26 1.985 -6.597 3.098 1.00 0.00 O ATOM 419 CB ALA A 26 0.148 -8.515 1.434 1.00 0.00 C ATOM 0 H ALA A 26 2.465 -9.300 2.460 1.00 0.00 H new ATOM 0 HA ALA A 26 1.598 -7.703 0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.610 -7.774 1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.014 -9.417 0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.076 -8.758 2.494 1.00 0.00 H new ATOM 425 N LYS A 27 1.920 -5.528 1.128 1.00 0.00 N ATOM 426 CA LYS A 27 2.093 -4.178 1.723 1.00 0.00 C ATOM 427 C LYS A 27 1.045 -3.232 1.080 1.00 0.00 C ATOM 428 O LYS A 27 1.072 -2.962 -0.127 1.00 0.00 O ATOM 429 CB LYS A 27 3.534 -3.646 1.559 1.00 0.00 C ATOM 430 CG LYS A 27 4.543 -4.206 2.589 1.00 0.00 C ATOM 431 CD LYS A 27 5.190 -5.546 2.198 1.00 0.00 C ATOM 432 CE LYS A 27 5.368 -6.531 3.371 1.00 0.00 C ATOM 433 NZ LYS A 27 6.378 -6.055 4.362 1.00 0.00 N ATOM 0 H LYS A 27 1.882 -5.533 0.109 1.00 0.00 H new ATOM 0 HA LYS A 27 1.929 -4.231 2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.886 -3.888 0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.518 -2.559 1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.332 -3.469 2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.034 -4.330 3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.579 -6.021 1.430 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.165 -5.349 1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.410 -6.673 3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.673 -7.503 2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.463 -6.749 5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.299 -5.944 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.076 -5.140 4.753 1.00 0.00 H new ATOM 447 N ARG A 28 0.109 -2.752 1.906 1.00 0.00 N ATOM 448 CA ARG A 28 -0.949 -1.812 1.464 1.00 0.00 C ATOM 449 C ARG A 28 -0.438 -0.395 1.853 1.00 0.00 C ATOM 450 O ARG A 28 -0.313 -0.099 3.042 1.00 0.00 O ATOM 451 CB ARG A 28 -2.266 -2.172 2.191 1.00 0.00 C ATOM 452 CG ARG A 28 -2.860 -3.542 1.813 1.00 0.00 C ATOM 453 CD ARG A 28 -4.111 -3.895 2.628 1.00 0.00 C ATOM 454 NE ARG A 28 -4.710 -5.171 2.145 1.00 0.00 N ATOM 455 CZ ARG A 28 -4.348 -6.395 2.529 1.00 0.00 C ATOM 456 NH1 ARG A 28 -3.396 -6.636 3.392 1.00 0.00 N ATOM 457 NH2 ARG A 28 -4.971 -7.414 2.010 1.00 0.00 N ATOM 0 H ARG A 28 0.056 -2.997 2.895 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.149 -1.858 0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.088 -2.153 3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.005 -1.400 1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.111 -3.543 0.752 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.105 -4.314 1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.851 -3.986 3.683 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.842 -3.091 2.548 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.463 -5.102 1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.882 -5.862 3.813 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.167 -7.598 3.644 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.715 -7.264 1.328 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.715 -8.362 2.285 1.00 0.00 H new ATOM 471 N GLU A 29 -0.044 0.391 0.848 1.00 0.00 N ATOM 472 CA GLU A 29 0.702 1.664 1.044 1.00 0.00 C ATOM 473 C GLU A 29 0.223 2.674 -0.052 1.00 0.00 C ATOM 474 O GLU A 29 0.210 2.351 -1.249 1.00 0.00 O ATOM 475 CB GLU A 29 2.247 1.470 0.934 1.00 0.00 C ATOM 476 CG GLU A 29 2.890 0.830 2.175 1.00 0.00 C ATOM 477 CD GLU A 29 4.386 0.616 2.071 1.00 0.00 C ATOM 478 OE1 GLU A 29 5.159 1.547 2.384 1.00 0.00 O ATOM 479 OE2 GLU A 29 4.801 -0.494 1.673 1.00 0.00 O ATOM 0 H GLU A 29 -0.227 0.174 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 29 0.499 2.036 2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.463 0.849 0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.712 2.440 0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.686 1.461 3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.411 -0.131 2.361 1.00 0.00 H new ATOM 486 N ALA A 30 -0.153 3.886 0.377 1.00 0.00 N ATOM 487 CA ALA A 30 -0.483 5.000 -0.540 1.00 0.00 C ATOM 488 C ALA A 30 0.731 5.928 -0.861 1.00 0.00 C ATOM 489 O ALA A 30 1.175 6.621 0.055 1.00 0.00 O ATOM 490 CB ALA A 30 -1.619 5.787 0.142 1.00 0.00 C ATOM 0 H ALA A 30 -0.239 4.128 1.364 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.781 4.601 -1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.909 6.627 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.477 5.132 0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.275 6.160 1.107 1.00 0.00 H new ATOM 496 N PRO A 31 1.259 6.048 -2.109 1.00 0.00 N ATOM 497 CA PRO A 31 2.383 6.996 -2.412 1.00 0.00 C ATOM 498 C PRO A 31 1.896 8.432 -2.723 1.00 0.00 C ATOM 499 O PRO A 31 1.753 9.244 -1.803 1.00 0.00 O ATOM 500 CB PRO A 31 3.141 6.213 -3.508 1.00 0.00 C ATOM 501 CG PRO A 31 2.055 5.435 -4.280 1.00 0.00 C ATOM 502 CD PRO A 31 0.991 5.105 -3.217 1.00 0.00 C ATOM 0 HA PRO A 31 3.051 7.241 -1.586 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.685 6.888 -4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.874 5.535 -3.071 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.636 6.034 -5.089 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.460 4.529 -4.731 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.017 5.235 -3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.072 4.070 -2.884 1.00 0.00 H new ATOM 510 N ILE A 32 1.634 8.757 -3.995 1.00 0.00 N ATOM 511 CA ILE A 32 1.255 10.123 -4.434 1.00 0.00 C ATOM 512 C ILE A 32 0.054 10.049 -5.430 1.00 0.00 C ATOM 513 O ILE A 32 0.080 9.279 -6.397 1.00 0.00 O ATOM 514 CB ILE A 32 2.444 10.949 -5.059 1.00 0.00 C ATOM 515 CG1 ILE A 32 3.240 10.266 -6.188 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.396 11.407 -3.933 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.136 11.218 -6.979 1.00 0.00 C ATOM 0 H ILE A 32 1.677 8.083 -4.759 1.00 0.00 H new ATOM 0 HA ILE A 32 0.962 10.664 -3.534 1.00 0.00 H new ATOM 0 HB ILE A 32 1.966 11.794 -5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.856 9.476 -5.758 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.541 9.787 -6.874 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.219 11.978 -4.362 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.850 12.032 -3.227 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.792 10.534 -3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.662 10.662 -7.755 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.525 11.994 -7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.861 11.678 -6.307 1.00 0.00 H new ATOM 529 N LYS A 33 -0.963 10.903 -5.230 1.00 0.00 N ATOM 530 CA LYS A 33 -2.080 11.050 -6.219 1.00 0.00 C ATOM 531 C LYS A 33 -1.749 11.849 -7.534 1.00 0.00 C ATOM 532 O LYS A 33 -2.527 11.789 -8.486 1.00 0.00 O ATOM 533 CB LYS A 33 -3.270 11.641 -5.424 1.00 0.00 C ATOM 534 CG LYS A 33 -4.643 11.637 -6.117 1.00 0.00 C ATOM 535 CD LYS A 33 -5.264 10.248 -6.332 1.00 0.00 C ATOM 536 CE LYS A 33 -6.512 9.912 -5.496 1.00 0.00 C ATOM 537 NZ LYS A 33 -6.227 9.790 -4.037 1.00 0.00 N ATOM 0 H LYS A 33 -1.049 11.501 -4.408 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.311 10.070 -6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.361 11.088 -4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.025 12.671 -5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.333 12.238 -5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.545 12.127 -7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.524 10.151 -7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.501 9.498 -6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.263 10.687 -5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.941 8.977 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.020 9.307 -3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.355 9.240 -3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.107 10.738 -3.626 1.00 0.00 H new ATOM 551 N TYR A 34 -0.611 12.556 -7.594 1.00 0.00 N ATOM 552 CA TYR A 34 -0.109 13.197 -8.843 1.00 0.00 C ATOM 553 C TYR A 34 0.408 12.204 -9.941 1.00 0.00 C ATOM 554 O TYR A 34 0.043 12.362 -11.105 1.00 0.00 O ATOM 555 CB TYR A 34 0.967 14.209 -8.382 1.00 0.00 C ATOM 556 CG TYR A 34 1.370 15.276 -9.400 1.00 0.00 C ATOM 557 CD1 TYR A 34 0.528 16.378 -9.644 1.00 0.00 C ATOM 558 CD2 TYR A 34 2.608 15.217 -10.057 1.00 0.00 C ATOM 559 CE1 TYR A 34 0.916 17.386 -10.527 1.00 0.00 C ATOM 560 CE2 TYR A 34 2.997 16.229 -10.938 1.00 0.00 C ATOM 561 CZ TYR A 34 2.153 17.315 -11.168 1.00 0.00 C ATOM 562 OH TYR A 34 2.549 18.302 -12.018 1.00 0.00 O ATOM 0 H TYR A 34 -0.006 12.706 -6.787 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.932 13.686 -9.364 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.604 14.711 -7.485 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.860 13.653 -8.096 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.427 16.443 -9.143 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.267 14.380 -9.880 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.258 18.222 -10.714 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.951 16.170 -11.441 1.00 0.00 H new ATOM 0 HH TYR A 34 3.437 18.090 -12.374 1.00 0.00 H new ATOM 572 N TRP A 35 1.230 11.204 -9.574 1.00 0.00 N ATOM 573 CA TRP A 35 1.661 10.121 -10.511 1.00 0.00 C ATOM 574 C TRP A 35 0.583 9.016 -10.772 1.00 0.00 C ATOM 575 O TRP A 35 0.470 8.556 -11.909 1.00 0.00 O ATOM 576 CB TRP A 35 2.965 9.493 -9.958 1.00 0.00 C ATOM 577 CG TRP A 35 4.050 9.117 -11.008 1.00 0.00 C ATOM 578 CD1 TRP A 35 5.015 10.015 -11.532 1.00 0.00 C ATOM 579 CD2 TRP A 35 4.436 7.860 -11.496 1.00 0.00 C ATOM 580 NE1 TRP A 35 5.975 9.368 -12.325 1.00 0.00 N ATOM 581 CE2 TRP A 35 5.606 8.039 -12.288 1.00 0.00 C ATOM 582 CE3 TRP A 35 3.914 6.547 -11.285 1.00 0.00 C ATOM 583 CZ2 TRP A 35 6.252 6.910 -12.869 1.00 0.00 C ATOM 584 CZ3 TRP A 35 4.559 5.463 -11.874 1.00 0.00 C ATOM 585 CH2 TRP A 35 5.716 5.642 -12.656 1.00 0.00 C ATOM 0 H TRP A 35 1.616 11.113 -8.634 1.00 0.00 H new ATOM 0 HA TRP A 35 1.822 10.583 -11.485 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.406 10.191 -9.246 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.702 8.594 -9.401 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.011 11.078 -11.342 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.765 9.785 -12.817 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.033 6.398 -10.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.144 7.035 -13.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 4.165 4.468 -11.729 1.00 0.00 H new ATOM 0 HH2 TRP A 35 6.196 4.782 -13.098 1.00 0.00 H new ATOM 596 N LEU A 36 -0.164 8.578 -9.737 1.00 0.00 N ATOM 597 CA LEU A 36 -1.165 7.496 -9.862 1.00 0.00 C ATOM 598 C LEU A 36 -2.607 8.012 -9.526 1.00 0.00 C ATOM 599 O LEU A 36 -2.771 8.626 -8.464 1.00 0.00 O ATOM 600 CB LEU A 36 -0.829 6.340 -8.874 1.00 0.00 C ATOM 601 CG LEU A 36 0.529 5.631 -9.064 1.00 0.00 C ATOM 602 CD1 LEU A 36 0.725 4.598 -7.945 1.00 0.00 C ATOM 603 CD2 LEU A 36 0.639 4.926 -10.423 1.00 0.00 C ATOM 0 H LEU A 36 -0.091 8.962 -8.795 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.135 7.144 -10.893 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.864 6.739 -7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.617 5.590 -8.949 1.00 0.00 H new ATOM 0 HG LEU A 36 1.304 6.397 -9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.683 4.096 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.709 5.101 -6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.078 3.862 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.613 4.444 -10.505 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.146 4.175 -10.508 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.528 5.658 -11.223 1.00 0.00 H new ATOM 615 N PRO A 37 -3.688 7.715 -10.300 1.00 0.00 N ATOM 616 CA PRO A 37 -5.082 8.109 -9.908 1.00 0.00 C ATOM 617 C PRO A 37 -5.722 7.434 -8.661 1.00 0.00 C ATOM 618 O PRO A 37 -6.722 7.961 -8.169 1.00 0.00 O ATOM 619 CB PRO A 37 -5.873 7.868 -11.217 1.00 0.00 C ATOM 620 CG PRO A 37 -5.091 6.766 -11.962 1.00 0.00 C ATOM 621 CD PRO A 37 -3.621 7.074 -11.632 1.00 0.00 C ATOM 0 HA PRO A 37 -5.090 9.135 -9.541 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.895 7.553 -11.008 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.936 8.778 -11.813 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.378 5.771 -11.621 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.276 6.800 -13.036 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.017 6.167 -11.610 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.174 7.737 -12.373 1.00 0.00 H new ATOM 629 N HIS A 38 -5.165 6.336 -8.116 1.00 0.00 N ATOM 630 CA HIS A 38 -5.594 5.772 -6.813 1.00 0.00 C ATOM 631 C HIS A 38 -4.370 5.604 -5.857 1.00 0.00 C ATOM 632 O HIS A 38 -3.629 4.622 -5.948 1.00 0.00 O ATOM 633 CB HIS A 38 -6.319 4.436 -7.119 1.00 0.00 C ATOM 634 CG HIS A 38 -7.118 3.873 -5.931 1.00 0.00 C ATOM 635 ND1 HIS A 38 -6.534 3.130 -4.918 1.00 0.00 N ATOM 636 CD2 HIS A 38 -8.502 4.024 -5.661 1.00 0.00 C ATOM 637 CE1 HIS A 38 -7.607 2.892 -4.105 1.00 0.00 C ATOM 638 NE2 HIS A 38 -8.828 3.394 -4.469 1.00 0.00 N ATOM 0 H HIS A 38 -4.409 5.814 -8.560 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.279 6.438 -6.288 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.995 4.586 -7.961 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.581 3.697 -7.431 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -9.201 4.553 -6.292 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.494 2.321 -3.196 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -9.728 3.324 -3.995 1.00 0.00 H new ATOM 647 N SER A 39 -4.213 6.525 -4.892 1.00 0.00 N ATOM 648 CA SER A 39 -3.265 6.348 -3.761 1.00 0.00 C ATOM 649 C SER A 39 -3.817 5.374 -2.675 1.00 0.00 C ATOM 650 O SER A 39 -4.704 5.732 -1.894 1.00 0.00 O ATOM 651 CB SER A 39 -2.903 7.726 -3.140 1.00 0.00 C ATOM 652 OG SER A 39 -4.036 8.474 -2.687 1.00 0.00 O ATOM 0 H SER A 39 -4.728 7.405 -4.866 1.00 0.00 H new ATOM 0 HA SER A 39 -2.359 5.893 -4.161 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.225 7.569 -2.301 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.363 8.316 -3.880 1.00 0.00 H new ATOM 0 HG SER A 39 -4.664 7.874 -2.234 1.00 0.00 H new ATOM 658 N GLY A 40 -3.266 4.157 -2.653 1.00 0.00 N ATOM 659 CA GLY A 40 -3.661 3.102 -1.696 1.00 0.00 C ATOM 660 C GLY A 40 -3.952 1.784 -2.419 1.00 0.00 C ATOM 661 O GLY A 40 -5.108 1.490 -2.724 1.00 0.00 O ATOM 0 H GLY A 40 -2.530 3.868 -3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.865 2.952 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.545 3.420 -1.143 1.00 0.00 H new ATOM 665 N ALA A 41 -2.888 1.029 -2.713 1.00 0.00 N ATOM 666 CA ALA A 41 -2.980 -0.218 -3.502 1.00 0.00 C ATOM 667 C ALA A 41 -2.475 -1.438 -2.689 1.00 0.00 C ATOM 668 O ALA A 41 -1.403 -1.388 -2.070 1.00 0.00 O ATOM 669 CB ALA A 41 -2.138 -0.021 -4.775 1.00 0.00 C ATOM 0 H ALA A 41 -1.940 1.258 -2.415 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.019 -0.423 -3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.182 -0.924 -5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.532 0.821 -5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.103 0.180 -4.499 1.00 0.00 H new ATOM 675 N THR A 42 -3.233 -2.538 -2.740 1.00 0.00 N ATOM 676 CA THR A 42 -2.798 -3.849 -2.194 1.00 0.00 C ATOM 677 C THR A 42 -2.035 -4.674 -3.266 1.00 0.00 C ATOM 678 O THR A 42 -2.565 -4.931 -4.351 1.00 0.00 O ATOM 679 CB THR A 42 -4.025 -4.596 -1.591 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.578 -5.763 -0.908 1.00 0.00 O ATOM 681 CG2 THR A 42 -5.130 -5.044 -2.536 1.00 0.00 C ATOM 0 H THR A 42 -4.164 -2.556 -3.157 1.00 0.00 H new ATOM 0 HA THR A 42 -2.086 -3.694 -1.383 1.00 0.00 H new ATOM 0 HB THR A 42 -4.476 -3.834 -0.956 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.348 -6.234 -0.526 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.912 -5.548 -1.968 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.551 -4.175 -3.041 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.719 -5.731 -3.276 1.00 0.00 H new ATOM 689 N TRP A 43 -0.801 -5.091 -2.958 1.00 0.00 N ATOM 690 CA TRP A 43 -0.040 -6.022 -3.840 1.00 0.00 C ATOM 691 C TRP A 43 0.515 -7.172 -2.956 1.00 0.00 C ATOM 692 O TRP A 43 1.485 -6.982 -2.218 1.00 0.00 O ATOM 693 CB TRP A 43 1.056 -5.231 -4.574 1.00 0.00 C ATOM 694 CG TRP A 43 1.787 -5.942 -5.768 1.00 0.00 C ATOM 695 CD1 TRP A 43 1.945 -7.342 -6.018 1.00 0.00 C ATOM 696 CD2 TRP A 43 2.516 -5.327 -6.799 1.00 0.00 C ATOM 697 NE1 TRP A 43 2.721 -7.595 -7.155 1.00 0.00 N ATOM 698 CE2 TRP A 43 3.083 -6.347 -7.611 1.00 0.00 C ATOM 699 CE3 TRP A 43 2.790 -3.949 -7.097 1.00 0.00 C ATOM 700 CZ2 TRP A 43 3.951 -6.002 -8.689 1.00 0.00 C ATOM 701 CZ3 TRP A 43 3.641 -3.644 -8.154 1.00 0.00 C ATOM 702 CH2 TRP A 43 4.218 -4.658 -8.939 1.00 0.00 C ATOM 0 H TRP A 43 -0.301 -4.809 -2.115 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.670 -6.470 -4.609 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.611 -4.311 -4.952 1.00 0.00 H new ATOM 0 HB3 TRP A 43 1.810 -4.942 -3.842 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.514 -8.116 -5.400 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.964 -8.501 -7.556 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.342 -3.161 -6.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.395 -6.772 -9.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.862 -2.610 -8.376 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.879 -4.390 -9.750 1.00 0.00 H new ATOM 713 N SER A 44 -0.110 -8.353 -3.055 1.00 0.00 N ATOM 714 CA SER A 44 0.310 -9.556 -2.301 1.00 0.00 C ATOM 715 C SER A 44 1.066 -10.565 -3.210 1.00 0.00 C ATOM 716 O SER A 44 0.428 -11.365 -3.907 1.00 0.00 O ATOM 717 CB SER A 44 -0.967 -10.194 -1.683 1.00 0.00 C ATOM 718 OG SER A 44 -1.829 -10.748 -2.683 1.00 0.00 O ATOM 0 H SER A 44 -0.919 -8.508 -3.656 1.00 0.00 H new ATOM 0 HA SER A 44 1.009 -9.277 -1.513 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.678 -10.976 -0.981 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.510 -9.439 -1.114 1.00 0.00 H new ATOM 0 HG SER A 44 -1.290 -11.098 -3.423 1.00 0.00 H new ATOM 724 N GLY A 45 2.401 -10.541 -3.184 1.00 0.00 N ATOM 725 CA GLY A 45 3.214 -11.498 -3.980 1.00 0.00 C ATOM 726 C GLY A 45 4.641 -11.017 -4.255 1.00 0.00 C ATOM 727 O GLY A 45 5.594 -11.580 -3.713 1.00 0.00 O ATOM 0 H GLY A 45 2.948 -9.882 -2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.257 -12.451 -3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.713 -11.683 -4.930 1.00 0.00 H new ATOM 731 N ARG A 46 4.776 -9.971 -5.080 1.00 0.00 N ATOM 732 CA ARG A 46 6.034 -9.177 -5.154 1.00 0.00 C ATOM 733 C ARG A 46 6.023 -8.075 -4.060 1.00 0.00 C ATOM 734 O ARG A 46 5.034 -7.356 -3.873 1.00 0.00 O ATOM 735 CB ARG A 46 6.136 -8.621 -6.585 1.00 0.00 C ATOM 736 CG ARG A 46 7.431 -7.889 -6.985 1.00 0.00 C ATOM 737 CD ARG A 46 7.425 -6.383 -6.671 1.00 0.00 C ATOM 738 NE ARG A 46 8.268 -5.660 -7.659 1.00 0.00 N ATOM 739 CZ ARG A 46 8.480 -4.348 -7.669 1.00 0.00 C ATOM 740 NH1 ARG A 46 8.111 -3.548 -6.702 1.00 0.00 N ATOM 741 NH2 ARG A 46 9.093 -3.830 -8.693 1.00 0.00 N ATOM 0 H ARG A 46 4.040 -9.647 -5.707 1.00 0.00 H new ATOM 0 HA ARG A 46 6.918 -9.783 -4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.994 -9.451 -7.277 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.303 -7.934 -6.737 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.272 -8.353 -6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.597 -8.026 -8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.405 -6.000 -6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.801 -6.211 -5.663 1.00 0.00 H new ATOM 0 HE ARG A 46 8.719 -6.214 -8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.633 -3.924 -5.883 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.302 -2.548 -6.767 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.397 -4.428 -9.461 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.269 -2.826 -8.728 1.00 0.00 H new ATOM 755 N GLY A 47 7.144 -7.956 -3.339 1.00 0.00 N ATOM 756 CA GLY A 47 7.225 -7.077 -2.151 1.00 0.00 C ATOM 757 C GLY A 47 7.462 -5.601 -2.468 1.00 0.00 C ATOM 758 O GLY A 47 8.603 -5.138 -2.476 1.00 0.00 O ATOM 0 H GLY A 47 8.009 -8.453 -3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.299 -7.169 -1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.030 -7.431 -1.507 1.00 0.00 H new ATOM 762 N LYS A 48 6.368 -4.870 -2.716 1.00 0.00 N ATOM 763 CA LYS A 48 6.435 -3.419 -3.014 1.00 0.00 C ATOM 764 C LYS A 48 6.431 -2.564 -1.722 1.00 0.00 C ATOM 765 O LYS A 48 5.407 -2.424 -1.052 1.00 0.00 O ATOM 766 CB LYS A 48 5.366 -3.052 -4.071 1.00 0.00 C ATOM 767 CG LYS A 48 3.887 -3.022 -3.667 1.00 0.00 C ATOM 768 CD LYS A 48 3.331 -1.624 -3.338 1.00 0.00 C ATOM 769 CE LYS A 48 1.797 -1.647 -3.177 1.00 0.00 C ATOM 770 NZ LYS A 48 1.340 -0.760 -2.078 1.00 0.00 N ATOM 0 H LYS A 48 5.422 -5.252 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 48 7.394 -3.173 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.618 -2.067 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.466 -3.758 -4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.296 -3.450 -4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.750 -3.665 -2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.788 -1.257 -2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.604 -0.927 -4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.330 -1.337 -4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.468 -2.667 -2.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.300 -0.739 -2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.696 -1.121 -1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.703 0.202 -2.235 1.00 0.00 H new ATOM 784 N ILE A 49 7.588 -1.984 -1.389 1.00 0.00 N ATOM 785 CA ILE A 49 7.688 -0.910 -0.371 1.00 0.00 C ATOM 786 C ILE A 49 8.167 0.355 -1.180 1.00 0.00 C ATOM 787 O ILE A 49 9.342 0.375 -1.570 1.00 0.00 O ATOM 788 CB ILE A 49 8.654 -1.250 0.821 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.303 -2.544 1.609 1.00 0.00 C ATOM 790 CG2 ILE A 49 8.583 -0.083 1.849 1.00 0.00 C ATOM 791 CD1 ILE A 49 8.868 -3.839 1.026 1.00 0.00 C ATOM 0 H ILE A 49 8.482 -2.237 -1.809 1.00 0.00 H new ATOM 0 HA ILE A 49 6.730 -0.755 0.125 1.00 0.00 H new ATOM 0 HB ILE A 49 9.635 -1.398 0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.666 -2.437 2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.218 -2.633 1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.246 -0.296 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.892 0.845 1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.561 0.020 2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.566 -4.681 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.486 -3.980 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.956 -3.781 0.997 1.00 0.00 H new ATOM 803 N PRO A 50 7.357 1.417 -1.447 1.00 0.00 N ATOM 804 CA PRO A 50 7.820 2.602 -2.244 1.00 0.00 C ATOM 805 C PRO A 50 8.657 3.662 -1.475 1.00 0.00 C ATOM 806 O PRO A 50 8.472 4.866 -1.647 1.00 0.00 O ATOM 807 CB PRO A 50 6.451 3.132 -2.760 1.00 0.00 C ATOM 808 CG PRO A 50 5.484 2.882 -1.577 1.00 0.00 C ATOM 809 CD PRO A 50 5.965 1.548 -0.981 1.00 0.00 C ATOM 0 HA PRO A 50 8.543 2.342 -3.017 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.503 4.190 -3.016 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.130 2.602 -3.657 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.533 3.687 -0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.449 2.819 -1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.910 1.557 0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.351 0.715 -1.325 1.00 0.00 H new ATOM 817 N LYS A 51 9.639 3.195 -0.698 1.00 0.00 N ATOM 818 CA LYS A 51 10.595 4.061 0.027 1.00 0.00 C ATOM 819 C LYS A 51 11.663 4.736 -0.891 1.00 0.00 C ATOM 820 O LYS A 51 11.757 5.956 -0.754 1.00 0.00 O ATOM 821 CB LYS A 51 11.123 3.333 1.289 1.00 0.00 C ATOM 822 CG LYS A 51 10.472 3.828 2.621 1.00 0.00 C ATOM 823 CD LYS A 51 8.993 3.427 2.780 1.00 0.00 C ATOM 824 CE LYS A 51 8.269 4.061 3.978 1.00 0.00 C ATOM 825 NZ LYS A 51 6.822 3.658 3.961 1.00 0.00 N ATOM 0 H LYS A 51 9.800 2.199 -0.548 1.00 0.00 H new ATOM 0 HA LYS A 51 10.063 4.937 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.942 2.263 1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.203 3.469 1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.039 3.428 3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.551 4.914 2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.460 3.698 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.935 2.343 2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.736 3.740 4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.355 5.147 3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.533 3.362 4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.240 4.465 3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.690 2.868 3.298 1.00 0.00 H new ATOM 839 N PRO A 52 12.402 4.129 -1.871 1.00 0.00 N ATOM 840 CA PRO A 52 13.147 4.926 -2.910 1.00 0.00 C ATOM 841 C PRO A 52 12.300 5.791 -3.891 1.00 0.00 C ATOM 842 O PRO A 52 12.775 6.857 -4.291 1.00 0.00 O ATOM 843 CB PRO A 52 14.007 3.848 -3.613 1.00 0.00 C ATOM 844 CG PRO A 52 13.197 2.543 -3.458 1.00 0.00 C ATOM 845 CD PRO A 52 12.537 2.671 -2.068 1.00 0.00 C ATOM 0 HA PRO A 52 13.722 5.724 -2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 52 14.169 4.092 -4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.990 3.762 -3.151 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.450 2.441 -4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.841 1.665 -3.514 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.568 2.173 -2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.152 2.218 -1.290 1.00 0.00 H new ATOM 853 N PHE A 53 11.055 5.388 -4.234 1.00 0.00 N ATOM 854 CA PHE A 53 10.109 6.267 -4.980 1.00 0.00 C ATOM 855 C PHE A 53 9.650 7.494 -4.148 1.00 0.00 C ATOM 856 O PHE A 53 9.976 8.610 -4.549 1.00 0.00 O ATOM 857 CB PHE A 53 8.951 5.404 -5.541 1.00 0.00 C ATOM 858 CG PHE A 53 7.872 6.183 -6.329 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.124 6.681 -7.619 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.617 6.434 -5.748 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.135 7.377 -8.321 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.630 7.128 -6.451 1.00 0.00 C ATOM 863 CZ PHE A 53 5.888 7.590 -7.738 1.00 0.00 C ATOM 0 H PHE A 53 10.679 4.467 -4.010 1.00 0.00 H new ATOM 0 HA PHE A 53 10.624 6.715 -5.830 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.372 4.638 -6.193 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.470 4.887 -4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.091 6.524 -8.073 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.414 6.086 -4.746 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.338 7.749 -9.314 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.667 7.306 -5.996 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.120 8.115 -8.286 1.00 0.00 H new ATOM 873 N GLU A 54 8.946 7.311 -3.017 1.00 0.00 N ATOM 874 CA GLU A 54 8.488 8.445 -2.163 1.00 0.00 C ATOM 875 C GLU A 54 9.608 9.307 -1.472 1.00 0.00 C ATOM 876 O GLU A 54 9.345 10.470 -1.145 1.00 0.00 O ATOM 877 CB GLU A 54 7.387 7.901 -1.206 1.00 0.00 C ATOM 878 CG GLU A 54 6.540 9.015 -0.567 1.00 0.00 C ATOM 879 CD GLU A 54 5.192 8.672 0.043 1.00 0.00 C ATOM 880 OE1 GLU A 54 4.888 7.498 0.311 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.420 9.634 0.274 1.00 0.00 O ATOM 0 H GLU A 54 8.677 6.392 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 54 8.065 9.208 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.733 7.227 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.857 7.313 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.144 9.477 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.370 9.774 -1.330 1.00 0.00 H new ATOM 888 N ALA A 55 10.839 8.780 -1.330 1.00 0.00 N ATOM 889 CA ALA A 55 12.046 9.583 -1.049 1.00 0.00 C ATOM 890 C ALA A 55 12.515 10.490 -2.222 1.00 0.00 C ATOM 891 O ALA A 55 12.649 11.690 -1.995 1.00 0.00 O ATOM 892 CB ALA A 55 13.181 8.634 -0.641 1.00 0.00 C ATOM 0 H ALA A 55 11.026 7.780 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 55 11.781 10.269 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.081 9.212 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.889 8.079 0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.381 7.936 -1.454 1.00 0.00 H new ATOM 898 N TRP A 56 12.742 9.973 -3.449 1.00 0.00 N ATOM 899 CA TRP A 56 13.081 10.843 -4.616 1.00 0.00 C ATOM 900 C TRP A 56 11.912 11.750 -5.133 1.00 0.00 C ATOM 901 O TRP A 56 12.159 12.909 -5.476 1.00 0.00 O ATOM 902 CB TRP A 56 13.739 9.990 -5.721 1.00 0.00 C ATOM 903 CG TRP A 56 14.727 10.843 -6.591 1.00 0.00 C ATOM 904 CD1 TRP A 56 16.006 11.312 -6.182 1.00 0.00 C ATOM 905 CD2 TRP A 56 14.548 11.373 -7.874 1.00 0.00 C ATOM 906 NE1 TRP A 56 16.610 12.125 -7.154 1.00 0.00 N ATOM 907 CE2 TRP A 56 15.697 12.153 -8.189 1.00 0.00 C ATOM 908 CE3 TRP A 56 13.472 11.276 -8.811 1.00 0.00 C ATOM 909 CZ2 TRP A 56 15.769 12.843 -9.432 1.00 0.00 C ATOM 910 CZ3 TRP A 56 13.575 11.953 -10.022 1.00 0.00 C ATOM 911 CH2 TRP A 56 14.708 12.731 -10.328 1.00 0.00 C ATOM 0 H TRP A 56 12.700 8.977 -3.664 1.00 0.00 H new ATOM 0 HA TRP A 56 13.804 11.579 -4.265 1.00 0.00 H new ATOM 0 HB2 TRP A 56 14.277 9.157 -5.268 1.00 0.00 H new ATOM 0 HB3 TRP A 56 12.967 9.561 -6.360 1.00 0.00 H new ATOM 0 HD1 TRP A 56 16.460 11.070 -5.232 1.00 0.00 H new ATOM 0 HE1 TRP A 56 17.517 12.589 -7.106 1.00 0.00 H new ATOM 0 HE3 TRP A 56 12.595 10.688 -8.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 16.632 13.444 -9.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 12.772 11.881 -10.740 1.00 0.00 H new ATOM 0 HH2 TRP A 56 14.755 13.250 -11.274 1.00 0.00 H new ATOM 922 N ILE A 57 10.655 11.284 -5.062 1.00 0.00 N ATOM 923 CA ILE A 57 9.448 12.172 -5.044 1.00 0.00 C ATOM 924 C ILE A 57 9.321 13.170 -3.813 1.00 0.00 C ATOM 925 O ILE A 57 8.413 14.003 -3.822 1.00 0.00 O ATOM 926 CB ILE A 57 8.210 11.253 -5.303 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.130 10.681 -6.751 1.00 0.00 C ATOM 928 CG2 ILE A 57 6.839 11.788 -4.898 1.00 0.00 C ATOM 929 CD1 ILE A 57 7.920 11.673 -7.888 1.00 0.00 C ATOM 0 H ILE A 57 10.432 10.290 -5.015 1.00 0.00 H new ATOM 0 HA ILE A 57 9.537 12.910 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 57 8.432 10.448 -4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.052 10.134 -6.948 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.316 9.956 -6.782 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.075 11.048 -5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.829 11.990 -3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.633 12.709 -5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.884 11.137 -8.836 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.982 12.206 -7.737 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.744 12.386 -7.905 1.00 0.00 H new ATOM 941 N GLY A 58 10.219 13.153 -2.819 1.00 0.00 N ATOM 942 CA GLY A 58 10.378 14.262 -1.851 1.00 0.00 C ATOM 943 C GLY A 58 11.715 15.032 -1.828 1.00 0.00 C ATOM 944 O GLY A 58 11.694 16.170 -1.362 1.00 0.00 O ATOM 0 H GLY A 58 10.858 12.374 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.583 14.983 -2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.211 13.857 -0.853 1.00 0.00 H new ATOM 948 N THR A 59 12.840 14.479 -2.316 1.00 0.00 N ATOM 949 CA THR A 59 14.179 15.159 -2.272 1.00 0.00 C ATOM 950 C THR A 59 14.206 16.619 -2.847 1.00 0.00 C ATOM 951 O THR A 59 14.723 17.522 -2.191 1.00 0.00 O ATOM 952 CB THR A 59 15.247 14.271 -3.007 1.00 0.00 C ATOM 953 OG1 THR A 59 15.246 12.934 -2.527 1.00 0.00 O ATOM 954 CG2 THR A 59 16.680 14.751 -2.810 1.00 0.00 C ATOM 0 H THR A 59 12.864 13.557 -2.751 1.00 0.00 H new ATOM 0 HA THR A 59 14.417 15.266 -1.214 1.00 0.00 H new ATOM 0 HB THR A 59 14.956 14.340 -4.055 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.322 12.621 -2.434 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.362 14.090 -3.346 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.780 15.766 -3.196 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.924 14.741 -1.748 1.00 0.00 H new ATOM 962 N ALA A 60 13.633 16.799 -4.044 1.00 0.00 N ATOM 963 CA ALA A 60 13.334 18.138 -4.607 1.00 0.00 C ATOM 964 C ALA A 60 11.821 18.407 -4.887 1.00 0.00 C ATOM 965 O ALA A 60 11.371 19.541 -4.714 1.00 0.00 O ATOM 966 CB ALA A 60 14.182 18.313 -5.873 1.00 0.00 C ATOM 0 H ALA A 60 13.361 16.028 -4.654 1.00 0.00 H new ATOM 0 HA ALA A 60 13.592 18.882 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.984 19.291 -6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.239 18.238 -5.616 1.00 0.00 H new ATOM 0 HB3 ALA A 60 13.927 17.535 -6.592 1.00 0.00 H new ATOM 972 N ALA A 61 11.042 17.388 -5.290 1.00 0.00 N ATOM 973 CA ALA A 61 9.595 17.524 -5.565 1.00 0.00 C ATOM 974 C ALA A 61 8.645 17.928 -4.408 1.00 0.00 C ATOM 975 O ALA A 61 7.589 18.485 -4.704 1.00 0.00 O ATOM 976 CB ALA A 61 9.147 16.199 -6.187 1.00 0.00 C ATOM 0 H ALA A 61 11.396 16.443 -5.436 1.00 0.00 H new ATOM 0 HA ALA A 61 9.504 18.391 -6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.081 16.244 -6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.704 16.022 -7.107 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.336 15.386 -5.486 1.00 0.00 H new ATOM 982 N TYR A 62 9.015 17.705 -3.137 1.00 0.00 N ATOM 983 CA TYR A 62 8.248 18.202 -1.957 1.00 0.00 C ATOM 984 C TYR A 62 7.798 19.690 -2.009 1.00 0.00 C ATOM 985 O TYR A 62 6.611 19.940 -1.812 1.00 0.00 O ATOM 986 CB TYR A 62 9.063 17.890 -0.682 1.00 0.00 C ATOM 987 CG TYR A 62 8.332 18.037 0.663 1.00 0.00 C ATOM 988 CD1 TYR A 62 7.264 17.189 0.997 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.766 18.974 1.612 1.00 0.00 C ATOM 990 CE1 TYR A 62 6.657 17.271 2.253 1.00 0.00 C ATOM 991 CE2 TYR A 62 8.153 19.056 2.867 1.00 0.00 C ATOM 992 CZ TYR A 62 7.098 18.203 3.188 1.00 0.00 C ATOM 993 OH TYR A 62 6.479 18.320 4.401 1.00 0.00 O ATOM 0 H TYR A 62 9.851 17.177 -2.886 1.00 0.00 H new ATOM 0 HA TYR A 62 7.297 17.669 -1.959 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.433 16.867 -0.757 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.935 18.544 -0.668 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.908 16.467 0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.582 19.639 1.371 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.841 16.608 2.500 1.00 0.00 H new ATOM 0 HE2 TYR A 62 8.498 19.782 3.589 1.00 0.00 H new ATOM 0 HH TYR A 62 6.920 19.019 4.927 1.00 0.00 H new ATOM 1003 N THR A 63 8.687 20.643 -2.341 1.00 0.00 N ATOM 1004 CA THR A 63 8.277 22.068 -2.545 1.00 0.00 C ATOM 1005 C THR A 63 7.193 22.335 -3.639 1.00 0.00 C ATOM 1006 O THR A 63 6.281 23.134 -3.408 1.00 0.00 O ATOM 1007 CB THR A 63 9.529 22.973 -2.653 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.137 24.332 -2.489 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.341 22.909 -3.938 1.00 0.00 C ATOM 0 H THR A 63 9.683 20.469 -2.475 1.00 0.00 H new ATOM 0 HA THR A 63 7.726 22.347 -1.647 1.00 0.00 H new ATOM 0 HB THR A 63 10.181 22.584 -1.871 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.926 24.910 -2.555 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.185 23.595 -3.869 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.709 21.894 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.711 23.192 -4.781 1.00 0.00 H new ATOM 1017 N ALA A 64 7.247 21.617 -4.778 1.00 0.00 N ATOM 1018 CA ALA A 64 6.134 21.617 -5.761 1.00 0.00 C ATOM 1019 C ALA A 64 4.856 20.844 -5.307 1.00 0.00 C ATOM 1020 O ALA A 64 3.745 21.349 -5.479 1.00 0.00 O ATOM 1021 CB ALA A 64 6.693 21.068 -7.082 1.00 0.00 C ATOM 0 H ALA A 64 8.040 21.033 -5.043 1.00 0.00 H new ATOM 0 HA ALA A 64 5.780 22.642 -5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.903 21.052 -7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.507 21.706 -7.426 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.066 20.056 -6.926 1.00 0.00 H new ATOM 1027 N TRP A 65 5.020 19.653 -4.712 1.00 0.00 N ATOM 1028 CA TRP A 65 3.919 18.863 -4.119 1.00 0.00 C ATOM 1029 C TRP A 65 3.113 19.557 -2.978 1.00 0.00 C ATOM 1030 O TRP A 65 1.886 19.466 -2.992 1.00 0.00 O ATOM 1031 CB TRP A 65 4.509 17.495 -3.672 1.00 0.00 C ATOM 1032 CG TRP A 65 3.566 16.312 -4.060 1.00 0.00 C ATOM 1033 CD1 TRP A 65 3.729 15.496 -5.203 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.381 15.855 -3.459 1.00 0.00 C ATOM 1035 NE1 TRP A 65 2.693 14.563 -5.341 1.00 0.00 N ATOM 1036 CE2 TRP A 65 1.872 14.798 -4.256 1.00 0.00 C ATOM 1037 CE3 TRP A 65 1.675 16.266 -2.286 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 0.665 14.139 -3.881 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.508 15.590 -1.932 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.008 14.541 -2.722 1.00 0.00 C ATOM 0 H TRP A 65 5.931 19.202 -4.626 1.00 0.00 H new ATOM 0 HA TRP A 65 3.160 18.739 -4.892 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.486 17.350 -4.134 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.664 17.499 -2.593 1.00 0.00 H new ATOM 0 HD1 TRP A 65 4.557 15.582 -5.891 1.00 0.00 H new ATOM 0 HE1 TRP A 65 2.572 13.867 -6.077 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.039 17.086 -1.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.266 13.339 -4.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.021 15.878 -1.035 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.901 14.039 -2.425 1.00 0.00 H new ATOM 1051 N LYS A 66 3.776 20.248 -2.037 1.00 0.00 N ATOM 1052 CA LYS A 66 3.102 21.089 -1.015 1.00 0.00 C ATOM 1053 C LYS A 66 2.371 22.374 -1.552 1.00 0.00 C ATOM 1054 O LYS A 66 1.353 22.757 -0.973 1.00 0.00 O ATOM 1055 CB LYS A 66 4.097 21.464 0.106 1.00 0.00 C ATOM 1056 CG LYS A 66 4.785 20.327 0.879 1.00 0.00 C ATOM 1057 CD LYS A 66 3.888 19.320 1.608 1.00 0.00 C ATOM 1058 CE LYS A 66 3.601 18.064 0.769 1.00 0.00 C ATOM 1059 NZ LYS A 66 2.943 17.057 1.635 1.00 0.00 N ATOM 0 H LYS A 66 4.793 20.244 -1.957 1.00 0.00 H new ATOM 0 HA LYS A 66 2.298 20.462 -0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.876 22.085 -0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.566 22.084 0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.410 19.774 0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.452 20.776 1.614 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.364 19.026 2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.945 19.801 1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.960 18.312 -0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.528 17.663 0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.365 16.122 1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.075 17.318 2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.926 17.023 1.418 1.00 0.00 H new ATOM 1073 N ALA A 67 2.839 22.993 -2.651 1.00 0.00 N ATOM 1074 CA ALA A 67 2.013 23.947 -3.435 1.00 0.00 C ATOM 1075 C ALA A 67 0.788 23.334 -4.190 1.00 0.00 C ATOM 1076 O ALA A 67 -0.289 23.931 -4.154 1.00 0.00 O ATOM 1077 CB ALA A 67 2.965 24.678 -4.395 1.00 0.00 C ATOM 0 H ALA A 67 3.780 22.855 -3.020 1.00 0.00 H new ATOM 0 HA ALA A 67 1.536 24.627 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.400 25.392 -4.994 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.725 25.207 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.446 23.954 -5.052 1.00 0.00 H new ATOM 1083 N LYS A 68 0.930 22.170 -4.851 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.201 21.506 -5.567 1.00 0.00 C ATOM 1085 C LYS A 68 -1.262 20.749 -4.673 1.00 0.00 C ATOM 1086 O LYS A 68 -2.411 20.608 -5.094 1.00 0.00 O ATOM 1087 CB LYS A 68 0.425 20.516 -6.588 1.00 0.00 C ATOM 1088 CG LYS A 68 1.174 21.201 -7.760 1.00 0.00 C ATOM 1089 CD LYS A 68 2.268 20.281 -8.321 1.00 0.00 C ATOM 1090 CE LYS A 68 3.063 20.884 -9.490 1.00 0.00 C ATOM 1091 NZ LYS A 68 2.306 20.829 -10.773 1.00 0.00 N ATOM 0 H LYS A 68 1.812 21.662 -4.910 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.782 22.305 -6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.119 19.860 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.364 19.885 -6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.467 21.456 -8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.619 22.135 -7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.960 20.028 -7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.809 19.349 -8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.313 21.920 -9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.005 20.347 -9.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.623 21.599 -11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.477 19.915 -11.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.289 20.935 -10.581 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.865 20.233 -3.508 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.745 19.497 -2.553 1.00 0.00 C ATOM 1107 C HIS A 69 -1.242 19.759 -1.066 1.00 0.00 C ATOM 1108 O HIS A 69 -0.086 20.156 -0.898 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.640 17.987 -2.866 1.00 0.00 C ATOM 1110 CG HIS A 69 -2.486 17.467 -4.028 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.812 17.103 -3.880 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -2.034 17.098 -5.318 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -4.060 16.511 -5.091 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -3.052 16.467 -6.018 1.00 0.00 N ATOM 0 H HIS A 69 0.098 20.309 -3.180 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.777 19.835 -2.651 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.596 17.754 -3.074 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.917 17.433 -1.969 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -1.041 17.281 -5.701 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.029 16.088 -5.310 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -3.051 16.078 -6.961 1.00 0.00 H new ATOM 1123 N PRO A 70 -2.016 19.535 0.034 1.00 0.00 N ATOM 1124 CA PRO A 70 -1.541 19.874 1.431 1.00 0.00 C ATOM 1125 C PRO A 70 -0.564 18.813 2.006 1.00 0.00 C ATOM 1126 O PRO A 70 0.325 18.335 1.285 1.00 0.00 O ATOM 1127 CB PRO A 70 -2.913 20.064 2.137 1.00 0.00 C ATOM 1128 CG PRO A 70 -3.809 18.982 1.491 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.407 19.034 0.004 1.00 0.00 C ATOM 0 HA PRO A 70 -0.906 20.753 1.541 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.831 19.925 3.215 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.312 21.065 1.974 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.627 17.998 1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.868 19.200 1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.468 18.051 -0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.059 19.697 -0.564 1.00 0.00 H new ATOM 1137 N ASP A 71 -0.691 18.417 3.291 1.00 0.00 N ATOM 1138 CA ASP A 71 0.119 17.297 3.846 1.00 0.00 C ATOM 1139 C ASP A 71 -0.590 15.922 3.688 1.00 0.00 C ATOM 1140 O ASP A 71 -0.997 15.248 4.638 1.00 0.00 O ATOM 1141 CB ASP A 71 0.680 17.649 5.230 1.00 0.00 C ATOM 1142 CG ASP A 71 2.076 17.033 5.449 1.00 0.00 C ATOM 1143 OD1 ASP A 71 3.029 17.415 4.730 1.00 0.00 O ATOM 1144 OD2 ASP A 71 2.209 16.127 6.295 1.00 0.00 O ATOM 0 H ASP A 71 -1.334 18.844 3.958 1.00 0.00 H new ATOM 0 HA ASP A 71 1.015 17.160 3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.739 18.732 5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.002 17.291 6.002 1.00 0.00 H new ATOM 1149 N GLU A 72 -0.673 15.532 2.406 1.00 0.00 N ATOM 1150 CA GLU A 72 -1.097 14.188 1.983 1.00 0.00 C ATOM 1151 C GLU A 72 0.100 13.220 1.750 1.00 0.00 C ATOM 1152 O GLU A 72 0.112 12.127 2.311 1.00 0.00 O ATOM 1153 CB GLU A 72 -1.988 14.300 0.715 1.00 0.00 C ATOM 1154 CG GLU A 72 -3.385 13.710 0.918 1.00 0.00 C ATOM 1155 CD GLU A 72 -4.499 14.688 1.202 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -4.449 15.842 0.727 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -5.477 14.276 1.857 1.00 0.00 O ATOM 0 H GLU A 72 -0.445 16.148 1.626 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.677 13.752 2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.079 15.349 0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.499 13.788 -0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.649 13.144 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.338 12.999 1.743 1.00 0.00 H new ATOM 1164 N LYS A 73 1.059 13.597 0.884 1.00 0.00 N ATOM 1165 CA LYS A 73 2.334 12.858 0.678 1.00 0.00 C ATOM 1166 C LYS A 73 3.242 12.873 1.920 1.00 0.00 C ATOM 1167 O LYS A 73 3.488 13.935 2.505 1.00 0.00 O ATOM 1168 CB LYS A 73 2.972 13.509 -0.567 1.00 0.00 C ATOM 1169 CG LYS A 73 4.350 13.014 -1.023 1.00 0.00 C ATOM 1170 CD LYS A 73 5.506 13.836 -0.414 1.00 0.00 C ATOM 1171 CE LYS A 73 6.902 13.425 -0.896 1.00 0.00 C ATOM 1172 NZ LYS A 73 7.287 12.133 -0.279 1.00 0.00 N ATOM 0 H LYS A 73 0.977 14.429 0.299 1.00 0.00 H new ATOM 0 HA LYS A 73 2.166 11.793 0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.281 13.381 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.049 14.580 -0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.467 11.967 -0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.408 13.062 -2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.350 14.889 -0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.468 13.743 0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.910 13.336 -1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.628 14.194 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.068 11.709 -0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.592 12.294 0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.471 11.488 -0.287 1.00 0.00 H new ATOM 1186 N PHE A 74 3.762 11.692 2.277 1.00 0.00 N ATOM 1187 CA PHE A 74 4.569 11.517 3.506 1.00 0.00 C ATOM 1188 C PHE A 74 5.974 12.209 3.418 1.00 0.00 C ATOM 1189 O PHE A 74 6.638 12.047 2.386 1.00 0.00 O ATOM 1190 CB PHE A 74 4.705 9.989 3.728 1.00 0.00 C ATOM 1191 CG PHE A 74 5.028 9.594 5.175 1.00 0.00 C ATOM 1192 CD1 PHE A 74 3.993 9.427 6.109 1.00 0.00 C ATOM 1193 CD2 PHE A 74 6.354 9.403 5.596 1.00 0.00 C ATOM 1194 CE1 PHE A 74 4.276 9.085 7.431 1.00 0.00 C ATOM 1195 CE2 PHE A 74 6.637 9.063 6.920 1.00 0.00 C ATOM 1196 CZ PHE A 74 5.597 8.902 7.835 1.00 0.00 C ATOM 0 H PHE A 74 3.641 10.837 1.735 1.00 0.00 H new ATOM 0 HA PHE A 74 4.072 12.000 4.348 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.775 9.505 3.429 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.488 9.606 3.074 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.967 9.565 5.800 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.162 9.520 4.889 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.472 8.962 8.141 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.661 8.925 7.235 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.816 8.635 8.858 1.00 0.00 H new ATOM 1206 N PRO A 75 6.481 12.950 4.439 1.00 0.00 N ATOM 1207 CA PRO A 75 7.813 13.645 4.352 1.00 0.00 C ATOM 1208 C PRO A 75 9.051 12.710 4.463 1.00 0.00 C ATOM 1209 O PRO A 75 9.774 12.671 5.460 1.00 0.00 O ATOM 1210 CB PRO A 75 7.684 14.708 5.474 1.00 0.00 C ATOM 1211 CG PRO A 75 6.740 14.062 6.516 1.00 0.00 C ATOM 1212 CD PRO A 75 5.716 13.310 5.653 1.00 0.00 C ATOM 0 HA PRO A 75 8.011 14.079 3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.655 14.944 5.911 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.272 15.641 5.090 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.278 13.386 7.181 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.261 14.813 7.144 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.334 12.426 6.163 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.856 13.936 5.414 1.00 0.00 H new ATOM 1220 N ALA A 76 9.282 11.982 3.363 1.00 0.00 N ATOM 1221 CA ALA A 76 10.364 10.989 3.249 1.00 0.00 C ATOM 1222 C ALA A 76 11.632 11.565 2.554 1.00 0.00 C ATOM 1223 O ALA A 76 11.557 12.210 1.501 1.00 0.00 O ATOM 1224 CB ALA A 76 9.799 9.804 2.445 1.00 0.00 C ATOM 0 H ALA A 76 8.718 12.065 2.517 1.00 0.00 H new ATOM 0 HA ALA A 76 10.684 10.682 4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.568 9.040 2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.942 9.383 2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.486 10.149 1.460 1.00 0.00 H new ATOM 1230 N PHE A 77 12.788 11.290 3.159 1.00 0.00 N ATOM 1231 CA PHE A 77 14.116 11.723 2.646 1.00 0.00 C ATOM 1232 C PHE A 77 14.909 10.565 1.940 1.00 0.00 C ATOM 1233 O PHE A 77 14.621 9.393 2.218 1.00 0.00 O ATOM 1234 CB PHE A 77 14.895 12.342 3.850 1.00 0.00 C ATOM 1235 CG PHE A 77 15.470 11.363 4.896 1.00 0.00 C ATOM 1236 CD1 PHE A 77 14.687 10.898 5.965 1.00 0.00 C ATOM 1237 CD2 PHE A 77 16.777 10.868 4.756 1.00 0.00 C ATOM 1238 CE1 PHE A 77 15.192 9.948 6.857 1.00 0.00 C ATOM 1239 CE2 PHE A 77 17.279 9.913 5.642 1.00 0.00 C ATOM 1240 CZ PHE A 77 16.487 9.459 6.694 1.00 0.00 C ATOM 0 H PHE A 77 12.844 10.757 4.027 1.00 0.00 H new ATOM 0 HA PHE A 77 13.985 12.468 1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.720 12.933 3.451 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.228 13.033 4.365 1.00 0.00 H new ATOM 0 HD1 PHE A 77 13.685 11.278 6.099 1.00 0.00 H new ATOM 0 HD2 PHE A 77 17.401 11.231 3.953 1.00 0.00 H new ATOM 0 HE1 PHE A 77 14.579 9.593 7.672 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.279 9.527 5.512 1.00 0.00 H new ATOM 0 HZ PHE A 77 16.877 8.726 7.385 1.00 0.00 H new ATOM 1250 N PRO A 78 15.947 10.810 1.095 1.00 0.00 N ATOM 1251 CA PRO A 78 16.813 9.712 0.553 1.00 0.00 C ATOM 1252 C PRO A 78 17.833 9.158 1.590 1.00 0.00 C ATOM 1253 O PRO A 78 18.776 9.849 1.990 1.00 0.00 O ATOM 1254 CB PRO A 78 17.480 10.415 -0.661 1.00 0.00 C ATOM 1255 CG PRO A 78 17.596 11.896 -0.228 1.00 0.00 C ATOM 1256 CD PRO A 78 16.303 12.146 0.568 1.00 0.00 C ATOM 0 HA PRO A 78 16.261 8.811 0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.458 9.987 -0.881 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.876 10.310 -1.563 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.482 12.066 0.384 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.671 12.560 -1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.462 12.864 1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.514 12.548 -0.067 1.00 0.00 H new ATOM 1264 N GLY A 79 17.623 7.905 2.018 1.00 0.00 N ATOM 1265 CA GLY A 79 18.501 7.250 3.007 1.00 0.00 C ATOM 1266 C GLY A 79 18.418 5.728 2.954 1.00 0.00 C ATOM 1267 O GLY A 79 18.712 5.062 1.962 1.00 0.00 O ATOM 0 H GLY A 79 16.851 7.321 1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 79 19.531 7.559 2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.231 7.590 4.007 1.00 0.00 H new