USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=16 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 Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.0911 K(o=0.091,f=-1.6) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.18) 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 180:sc= -0.353 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 33 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 33:sc= 0.957 USER MOD Single : A 42 THR OG1 : rot -170:sc= 0.298 USER MOD Single : A 44 SER OG : rot 41:sc= 0.0255 USER MOD Single : A 48 LYS NZ :NH3+ -134:sc= 2.26 (180deg=-0.38) USER MOD Single : A 51 LYS NZ :NH3+ -129:sc= 0.709 (180deg=-1.34) USER MOD Single : A 59 THR OG1 : rot 58:sc= 0.534 USER MOD Single : A 62 TYR OH : rot -25:sc= 0.432 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 1.91 (180deg=1.73) USER MOD Single : A 68 LYS NZ :NH3+ 152:sc= 0.867 (180deg=0.381) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 73 LYS NZ :NH3+ 179:sc= 1.3 (180deg=1.29) USER MOD ----------------------------------------------------------------- ATOM 52 N LYS A 4 -6.432 11.862 -0.143 1.00 0.00 N ATOM 53 CA LYS A 4 -6.296 10.780 0.869 1.00 0.00 C ATOM 54 C LYS A 4 -4.844 10.634 1.429 1.00 0.00 C ATOM 55 O LYS A 4 -3.892 10.292 0.720 1.00 0.00 O ATOM 56 CB LYS A 4 -6.824 9.423 0.326 1.00 0.00 C ATOM 57 CG LYS A 4 -8.325 9.163 0.605 1.00 0.00 C ATOM 58 CD LYS A 4 -8.661 9.048 2.113 1.00 0.00 C ATOM 59 CE LYS A 4 -9.559 10.184 2.645 1.00 0.00 C ATOM 60 NZ LYS A 4 -9.221 10.539 4.054 1.00 0.00 N ATOM 0 HA LYS A 4 -6.920 11.080 1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.655 9.386 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.240 8.616 0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.913 9.971 0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.626 8.244 0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.156 8.094 2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.731 9.037 2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.447 11.064 2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.604 9.880 2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.845 11.306 4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.352 9.706 4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.231 10.853 4.105 1.00 0.00 H new ATOM 74 N GLN A 5 -4.742 10.836 2.749 1.00 0.00 N ATOM 75 CA GLN A 5 -3.480 10.750 3.519 1.00 0.00 C ATOM 76 C GLN A 5 -2.971 9.284 3.719 1.00 0.00 C ATOM 77 O GLN A 5 -3.681 8.293 3.513 1.00 0.00 O ATOM 78 CB GLN A 5 -3.725 11.447 4.891 1.00 0.00 C ATOM 79 CG GLN A 5 -3.827 12.990 4.865 1.00 0.00 C ATOM 80 CD GLN A 5 -5.088 13.606 4.269 1.00 0.00 C ATOM 81 OE1 GLN A 5 -6.155 12.998 4.157 1.00 0.00 O ATOM 82 NE2 GLN A 5 -5.011 14.848 3.861 1.00 0.00 N ATOM 0 H GLN A 5 -5.547 11.069 3.330 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.691 11.248 2.956 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.646 11.050 5.317 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.916 11.169 5.566 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.729 13.350 5.889 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.971 13.374 4.309 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.133 15.360 3.949 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.829 15.303 3.455 1.00 0.00 H new ATOM 91 N LYS A 6 -1.683 9.170 4.048 1.00 0.00 N ATOM 92 CA LYS A 6 -0.911 7.922 3.840 1.00 0.00 C ATOM 93 C LYS A 6 -1.238 6.754 4.810 1.00 0.00 C ATOM 94 O LYS A 6 -1.450 6.941 6.009 1.00 0.00 O ATOM 95 CB LYS A 6 0.589 8.286 3.780 1.00 0.00 C ATOM 96 CG LYS A 6 1.175 8.280 2.360 1.00 0.00 C ATOM 97 CD LYS A 6 0.779 9.408 1.399 1.00 0.00 C ATOM 98 CE LYS A 6 -0.573 9.277 0.683 1.00 0.00 C ATOM 99 NZ LYS A 6 -0.729 10.337 -0.343 1.00 0.00 N ATOM 0 H LYS A 6 -1.140 9.927 4.463 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.225 7.495 2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.731 9.275 4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.148 7.582 4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.261 8.287 2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.900 7.335 1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.776 10.343 1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.556 9.494 0.640 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.648 8.296 0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.383 9.345 1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.707 10.338 -0.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.512 11.263 0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.077 10.155 -1.132 1.00 0.00 H new ATOM 113 N SER A 7 -1.327 5.550 4.233 1.00 0.00 N ATOM 114 CA SER A 7 -1.881 4.359 4.923 1.00 0.00 C ATOM 115 C SER A 7 -0.970 3.139 4.625 1.00 0.00 C ATOM 116 O SER A 7 -0.907 2.690 3.478 1.00 0.00 O ATOM 117 CB SER A 7 -3.325 4.116 4.404 1.00 0.00 C ATOM 118 OG SER A 7 -4.182 5.214 4.723 1.00 0.00 O ATOM 0 H SER A 7 -1.021 5.365 3.278 1.00 0.00 H new ATOM 0 HA SER A 7 -1.915 4.511 6.002 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.306 3.968 3.324 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.723 3.201 4.844 1.00 0.00 H new ATOM 0 HG SER A 7 -5.084 5.035 4.383 1.00 0.00 H new ATOM 124 N GLU A 8 -0.264 2.643 5.647 1.00 0.00 N ATOM 125 CA GLU A 8 0.780 1.594 5.484 1.00 0.00 C ATOM 126 C GLU A 8 0.371 0.336 6.305 1.00 0.00 C ATOM 127 O GLU A 8 0.486 0.328 7.535 1.00 0.00 O ATOM 128 CB GLU A 8 2.151 2.143 5.958 1.00 0.00 C ATOM 129 CG GLU A 8 2.713 3.286 5.092 1.00 0.00 C ATOM 130 CD GLU A 8 4.015 3.881 5.594 1.00 0.00 C ATOM 131 OE1 GLU A 8 4.875 3.156 6.142 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.241 5.079 5.330 1.00 0.00 O ATOM 0 H GLU A 8 -0.390 2.948 6.612 1.00 0.00 H new ATOM 0 HA GLU A 8 0.869 1.315 4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.052 2.496 6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.871 1.325 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.866 2.914 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.967 4.078 5.032 1.00 0.00 H new ATOM 139 N ILE A 9 -0.142 -0.709 5.633 1.00 0.00 N ATOM 140 CA ILE A 9 -0.716 -1.898 6.328 1.00 0.00 C ATOM 141 C ILE A 9 0.283 -3.101 6.212 1.00 0.00 C ATOM 142 O ILE A 9 0.863 -3.390 5.158 1.00 0.00 O ATOM 143 CB ILE A 9 -2.162 -2.226 5.819 1.00 0.00 C ATOM 144 CG1 ILE A 9 -3.199 -1.095 6.111 1.00 0.00 C ATOM 145 CG2 ILE A 9 -2.728 -3.523 6.459 1.00 0.00 C ATOM 146 CD1 ILE A 9 -3.327 -0.027 5.024 1.00 0.00 C ATOM 0 H ILE A 9 -0.176 -0.765 4.615 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.838 -1.678 7.389 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.038 -2.341 4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.176 -1.552 6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.925 -0.607 7.046 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.731 -3.710 6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.082 -4.364 6.208 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.769 -3.407 7.542 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.072 0.710 5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.365 0.466 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.636 -0.495 4.089 1.00 0.00 H new ATOM 158 N THR A 10 0.407 -3.816 7.338 1.00 0.00 N ATOM 159 CA THR A 10 1.252 -5.031 7.473 1.00 0.00 C ATOM 160 C THR A 10 0.730 -6.265 6.674 1.00 0.00 C ATOM 161 O THR A 10 -0.464 -6.412 6.401 1.00 0.00 O ATOM 162 CB THR A 10 1.368 -5.272 9.009 1.00 0.00 C ATOM 163 OG1 THR A 10 2.053 -4.178 9.618 1.00 0.00 O ATOM 164 CG2 THR A 10 2.135 -6.504 9.460 1.00 0.00 C ATOM 0 H THR A 10 -0.081 -3.571 8.200 1.00 0.00 H new ATOM 0 HA THR A 10 2.232 -4.880 7.021 1.00 0.00 H new ATOM 0 HB THR A 10 0.327 -5.398 9.308 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.122 -4.332 10.583 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.139 -6.551 10.549 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.656 -7.398 9.060 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.161 -6.448 9.095 1.00 0.00 H new ATOM 172 N ALA A 11 1.670 -7.146 6.297 1.00 0.00 N ATOM 173 CA ALA A 11 1.418 -8.262 5.367 1.00 0.00 C ATOM 174 C ALA A 11 0.405 -9.343 5.833 1.00 0.00 C ATOM 175 O ALA A 11 0.623 -10.046 6.823 1.00 0.00 O ATOM 176 CB ALA A 11 2.802 -8.869 5.059 1.00 0.00 C ATOM 0 H ALA A 11 2.633 -7.105 6.630 1.00 0.00 H new ATOM 0 HA ALA A 11 0.917 -7.861 4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.687 -9.706 4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.439 -8.110 4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.259 -9.220 5.984 1.00 0.00 H new ATOM 382 N SER A 24 1.451 -15.175 1.414 1.00 0.00 N ATOM 383 CA SER A 24 2.022 -14.339 0.321 1.00 0.00 C ATOM 384 C SER A 24 2.373 -12.906 0.819 1.00 0.00 C ATOM 385 O SER A 24 1.689 -12.355 1.687 1.00 0.00 O ATOM 386 CB SER A 24 1.036 -14.324 -0.866 1.00 0.00 C ATOM 387 OG SER A 24 1.731 -14.116 -2.090 1.00 0.00 O ATOM 0 HA SER A 24 2.963 -14.775 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.492 -15.268 -0.906 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.297 -13.536 -0.722 1.00 0.00 H new ATOM 0 HG SER A 24 1.091 -14.111 -2.833 1.00 0.00 H new ATOM 393 N LYS A 25 3.440 -12.286 0.282 1.00 0.00 N ATOM 394 CA LYS A 25 3.914 -10.964 0.768 1.00 0.00 C ATOM 395 C LYS A 25 2.989 -9.784 0.313 1.00 0.00 C ATOM 396 O LYS A 25 3.010 -9.375 -0.852 1.00 0.00 O ATOM 397 CB LYS A 25 5.365 -10.677 0.299 1.00 0.00 C ATOM 398 CG LYS A 25 6.488 -11.609 0.780 1.00 0.00 C ATOM 399 CD LYS A 25 6.604 -11.732 2.309 1.00 0.00 C ATOM 400 CE LYS A 25 7.903 -12.441 2.732 1.00 0.00 C ATOM 401 NZ LYS A 25 7.970 -12.556 4.217 1.00 0.00 N ATOM 0 H LYS A 25 3.992 -12.671 -0.484 1.00 0.00 H new ATOM 0 HA LYS A 25 3.883 -11.021 1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.369 -10.687 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.619 -9.664 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.324 -12.601 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.437 -11.248 0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.571 -10.739 2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.747 -12.284 2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.947 -13.432 2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.765 -11.885 2.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.852 -13.036 4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.949 -11.606 4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.156 -13.106 4.560 1.00 0.00 H new ATOM 415 N ALA A 26 2.217 -9.236 1.257 1.00 0.00 N ATOM 416 CA ALA A 26 1.367 -8.054 1.015 1.00 0.00 C ATOM 417 C ALA A 26 2.010 -6.784 1.623 1.00 0.00 C ATOM 418 O ALA A 26 2.476 -6.777 2.765 1.00 0.00 O ATOM 419 CB ALA A 26 -0.003 -8.340 1.642 1.00 0.00 C ATOM 0 H ALA A 26 2.160 -9.595 2.210 1.00 0.00 H new ATOM 0 HA ALA A 26 1.259 -7.869 -0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.661 -7.486 1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.438 -9.225 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.115 -8.513 2.712 1.00 0.00 H new ATOM 425 N LYS A 27 2.027 -5.694 0.858 1.00 0.00 N ATOM 426 CA LYS A 27 2.294 -4.344 1.426 1.00 0.00 C ATOM 427 C LYS A 27 1.247 -3.374 0.818 1.00 0.00 C ATOM 428 O LYS A 27 1.209 -3.191 -0.404 1.00 0.00 O ATOM 429 CB LYS A 27 3.748 -3.862 1.166 1.00 0.00 C ATOM 430 CG LYS A 27 4.778 -4.353 2.206 1.00 0.00 C ATOM 431 CD LYS A 27 5.444 -5.695 1.864 1.00 0.00 C ATOM 432 CE LYS A 27 5.900 -6.495 3.103 1.00 0.00 C ATOM 433 NZ LYS A 27 7.053 -5.847 3.795 1.00 0.00 N ATOM 0 H LYS A 27 1.863 -5.702 -0.149 1.00 0.00 H new ATOM 0 HA LYS A 27 2.200 -4.377 2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.059 -4.200 0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.759 -2.772 1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.554 -3.595 2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.283 -4.444 3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.745 -6.301 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.307 -5.510 1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.067 -6.591 3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.180 -7.504 2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.327 -6.417 4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.857 -5.778 3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.779 -4.894 4.108 1.00 0.00 H new ATOM 447 N ARG A 28 0.412 -2.757 1.666 1.00 0.00 N ATOM 448 CA ARG A 28 -0.625 -1.801 1.197 1.00 0.00 C ATOM 449 C ARG A 28 -0.112 -0.376 1.542 1.00 0.00 C ATOM 450 O ARG A 28 -0.105 -0.007 2.717 1.00 0.00 O ATOM 451 CB ARG A 28 -2.016 -2.036 1.846 1.00 0.00 C ATOM 452 CG ARG A 28 -2.507 -3.487 1.867 1.00 0.00 C ATOM 453 CD ARG A 28 -3.932 -3.655 2.425 1.00 0.00 C ATOM 454 NE ARG A 28 -4.360 -5.020 2.031 1.00 0.00 N ATOM 455 CZ ARG A 28 -5.320 -5.746 2.583 1.00 0.00 C ATOM 456 NH1 ARG A 28 -6.078 -5.332 3.565 1.00 0.00 N ATOM 457 NH2 ARG A 28 -5.503 -6.941 2.103 1.00 0.00 N ATOM 0 H ARG A 28 0.427 -2.896 2.676 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.773 -1.939 0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.984 -1.669 2.872 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.751 -1.432 1.314 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.475 -3.886 0.853 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.820 -4.084 2.466 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.944 -3.539 3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.604 -2.901 2.016 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.860 -5.445 1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.947 -4.397 3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.801 -5.944 3.944 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.920 -7.278 1.337 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.230 -7.541 2.493 1.00 0.00 H new ATOM 471 N GLU A 29 0.368 0.359 0.536 1.00 0.00 N ATOM 472 CA GLU A 29 0.950 1.708 0.745 1.00 0.00 C ATOM 473 C GLU A 29 0.326 2.703 -0.275 1.00 0.00 C ATOM 474 O GLU A 29 0.127 2.378 -1.456 1.00 0.00 O ATOM 475 CB GLU A 29 2.499 1.700 0.620 1.00 0.00 C ATOM 476 CG GLU A 29 3.212 0.972 1.779 1.00 0.00 C ATOM 477 CD GLU A 29 4.682 1.306 1.982 1.00 0.00 C ATOM 478 OE1 GLU A 29 5.140 2.409 1.616 1.00 0.00 O ATOM 479 OE2 GLU A 29 5.403 0.450 2.536 1.00 0.00 O ATOM 0 H GLU A 29 0.370 0.051 -0.437 1.00 0.00 H new ATOM 0 HA GLU A 29 0.714 2.026 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.776 1.225 -0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.856 2.729 0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.679 1.196 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.125 -0.102 1.614 1.00 0.00 H new ATOM 486 N ALA A 30 0.025 3.918 0.196 1.00 0.00 N ATOM 487 CA ALA A 30 -0.497 5.002 -0.660 1.00 0.00 C ATOM 488 C ALA A 30 0.613 5.980 -1.143 1.00 0.00 C ATOM 489 O ALA A 30 1.111 6.733 -0.310 1.00 0.00 O ATOM 490 CB ALA A 30 -1.575 5.695 0.189 1.00 0.00 C ATOM 0 H ALA A 30 0.134 4.182 1.175 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.911 4.611 -1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.013 6.516 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.353 4.976 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.124 6.085 1.102 1.00 0.00 H new ATOM 496 N PRO A 31 1.017 6.066 -2.439 1.00 0.00 N ATOM 497 CA PRO A 31 2.053 7.069 -2.876 1.00 0.00 C ATOM 498 C PRO A 31 1.456 8.468 -3.205 1.00 0.00 C ATOM 499 O PRO A 31 1.103 9.220 -2.289 1.00 0.00 O ATOM 500 CB PRO A 31 2.780 6.273 -3.990 1.00 0.00 C ATOM 501 CG PRO A 31 1.678 5.404 -4.631 1.00 0.00 C ATOM 502 CD PRO A 31 0.831 4.974 -3.422 1.00 0.00 C ATOM 0 HA PRO A 31 2.765 7.400 -2.120 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.234 6.941 -4.722 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.581 5.658 -3.579 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.090 5.967 -5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.096 4.546 -5.157 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.218 4.857 -3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.166 4.017 -3.022 1.00 0.00 H new ATOM 510 N ILE A 32 1.355 8.831 -4.491 1.00 0.00 N ATOM 511 CA ILE A 32 1.127 10.228 -4.937 1.00 0.00 C ATOM 512 C ILE A 32 -0.126 10.320 -5.854 1.00 0.00 C ATOM 513 O ILE A 32 -0.180 9.721 -6.932 1.00 0.00 O ATOM 514 CB ILE A 32 2.377 10.882 -5.661 1.00 0.00 C ATOM 515 CG1 ILE A 32 3.061 9.990 -6.720 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.358 11.399 -4.597 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.322 10.558 -7.366 1.00 0.00 C ATOM 0 H ILE A 32 1.428 8.166 -5.261 1.00 0.00 H new ATOM 0 HA ILE A 32 0.960 10.802 -4.026 1.00 0.00 H new ATOM 0 HB ILE A 32 2.003 11.717 -6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.314 9.038 -6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.338 9.778 -7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.221 11.850 -5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.862 12.145 -3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.688 10.569 -3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.712 9.844 -8.091 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.082 11.494 -7.871 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.073 10.742 -6.598 1.00 0.00 H new ATOM 529 N LYS A 33 -1.093 11.146 -5.442 1.00 0.00 N ATOM 530 CA LYS A 33 -2.308 11.435 -6.249 1.00 0.00 C ATOM 531 C LYS A 33 -2.134 12.392 -7.469 1.00 0.00 C ATOM 532 O LYS A 33 -2.969 12.353 -8.375 1.00 0.00 O ATOM 533 CB LYS A 33 -3.351 11.943 -5.240 1.00 0.00 C ATOM 534 CG LYS A 33 -4.785 12.134 -5.736 1.00 0.00 C ATOM 535 CD LYS A 33 -5.571 10.891 -6.169 1.00 0.00 C ATOM 536 CE LYS A 33 -5.753 9.834 -5.069 1.00 0.00 C ATOM 537 NZ LYS A 33 -7.015 9.086 -5.301 1.00 0.00 N ATOM 0 H LYS A 33 -1.067 11.636 -4.548 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.613 10.521 -6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.376 11.245 -4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.001 12.898 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.349 12.626 -4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.757 12.822 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.554 11.203 -6.521 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.061 10.431 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.907 9.147 -5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.777 10.313 -4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.137 8.371 -4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.818 9.746 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.975 8.616 -6.228 1.00 0.00 H new ATOM 551 N TYR A 34 -1.076 13.222 -7.506 1.00 0.00 N ATOM 552 CA TYR A 34 -0.734 14.020 -8.722 1.00 0.00 C ATOM 553 C TYR A 34 -0.240 13.169 -9.939 1.00 0.00 C ATOM 554 O TYR A 34 -0.677 13.419 -11.062 1.00 0.00 O ATOM 555 CB TYR A 34 0.257 15.126 -8.285 1.00 0.00 C ATOM 556 CG TYR A 34 0.587 16.176 -9.358 1.00 0.00 C ATOM 557 CD1 TYR A 34 -0.356 17.153 -9.727 1.00 0.00 C ATOM 558 CD2 TYR A 34 1.835 16.176 -9.998 1.00 0.00 C ATOM 559 CE1 TYR A 34 -0.057 18.093 -10.718 1.00 0.00 C ATOM 560 CE2 TYR A 34 2.135 17.120 -10.983 1.00 0.00 C ATOM 561 CZ TYR A 34 1.187 18.077 -11.342 1.00 0.00 C ATOM 562 OH TYR A 34 1.497 19.007 -12.290 1.00 0.00 O ATOM 0 H TYR A 34 -0.441 13.365 -6.721 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.642 14.474 -9.120 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.156 15.637 -7.415 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.186 14.653 -7.966 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.320 17.177 -9.240 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.574 15.437 -9.726 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.792 18.832 -11.000 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.101 17.108 -11.466 1.00 0.00 H new ATOM 0 HH TYR A 34 2.406 18.848 -12.619 1.00 0.00 H new ATOM 572 N TRP A 35 0.640 12.181 -9.713 1.00 0.00 N ATOM 573 CA TRP A 35 1.055 11.211 -10.762 1.00 0.00 C ATOM 574 C TRP A 35 0.012 10.069 -11.006 1.00 0.00 C ATOM 575 O TRP A 35 -0.320 9.812 -12.164 1.00 0.00 O ATOM 576 CB TRP A 35 2.445 10.669 -10.358 1.00 0.00 C ATOM 577 CG TRP A 35 3.435 10.368 -11.521 1.00 0.00 C ATOM 578 CD1 TRP A 35 4.604 11.121 -11.802 1.00 0.00 C ATOM 579 CD2 TRP A 35 3.494 9.280 -12.405 1.00 0.00 C ATOM 580 NE1 TRP A 35 5.383 10.544 -12.817 1.00 0.00 N ATOM 581 CE2 TRP A 35 4.685 9.409 -13.176 1.00 0.00 C ATOM 582 CE3 TRP A 35 2.637 8.155 -12.606 1.00 0.00 C ATOM 583 CZ2 TRP A 35 5.024 8.410 -14.134 1.00 0.00 C ATOM 584 CZ3 TRP A 35 2.989 7.200 -13.555 1.00 0.00 C ATOM 585 CH2 TRP A 35 4.171 7.323 -14.307 1.00 0.00 C ATOM 0 H TRP A 35 1.086 12.025 -8.809 1.00 0.00 H new ATOM 0 HA TRP A 35 1.109 11.719 -11.725 1.00 0.00 H new ATOM 0 HB2 TRP A 35 2.913 11.392 -9.690 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.301 9.752 -9.786 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.865 12.036 -11.292 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.264 10.886 -13.201 1.00 0.00 H new ATOM 0 HE3 TRP A 35 1.730 8.047 -12.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.929 8.495 -14.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.343 6.350 -13.717 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.421 6.562 -15.031 1.00 0.00 H new ATOM 596 N LEU A 36 -0.463 9.370 -9.956 1.00 0.00 N ATOM 597 CA LEU A 36 -1.367 8.203 -10.099 1.00 0.00 C ATOM 598 C LEU A 36 -2.804 8.531 -9.562 1.00 0.00 C ATOM 599 O LEU A 36 -2.900 8.984 -8.418 1.00 0.00 O ATOM 600 CB LEU A 36 -0.794 7.009 -9.270 1.00 0.00 C ATOM 601 CG LEU A 36 0.540 6.414 -9.765 1.00 0.00 C ATOM 602 CD1 LEU A 36 1.119 5.478 -8.691 1.00 0.00 C ATOM 603 CD2 LEU A 36 0.382 5.645 -11.077 1.00 0.00 C ATOM 0 H LEU A 36 -0.234 9.594 -8.988 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.433 7.950 -11.157 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.660 7.340 -8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.539 6.214 -9.255 1.00 0.00 H new ATOM 0 HG LEU A 36 1.219 7.247 -9.950 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.062 5.059 -9.043 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.292 6.040 -7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.414 4.670 -8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.349 5.246 -11.383 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.321 4.824 -10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.005 6.316 -11.849 1.00 0.00 H new ATOM 615 N PRO A 37 -3.940 8.260 -10.258 1.00 0.00 N ATOM 616 CA PRO A 37 -5.307 8.581 -9.712 1.00 0.00 C ATOM 617 C PRO A 37 -5.831 7.806 -8.462 1.00 0.00 C ATOM 618 O PRO A 37 -6.871 8.180 -7.912 1.00 0.00 O ATOM 619 CB PRO A 37 -6.210 8.406 -10.963 1.00 0.00 C ATOM 620 CG PRO A 37 -5.458 7.401 -11.861 1.00 0.00 C ATOM 621 CD PRO A 37 -3.975 7.746 -11.642 1.00 0.00 C ATOM 0 HA PRO A 37 -5.295 9.576 -9.267 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.196 8.030 -10.689 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.363 9.356 -11.476 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.675 6.371 -11.577 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.743 7.509 -12.907 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.338 6.870 -11.761 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.627 8.492 -12.356 1.00 0.00 H new ATOM 629 N HIS A 38 -5.114 6.779 -7.988 1.00 0.00 N ATOM 630 CA HIS A 38 -5.453 6.012 -6.771 1.00 0.00 C ATOM 631 C HIS A 38 -4.191 5.845 -5.869 1.00 0.00 C ATOM 632 O HIS A 38 -3.248 5.133 -6.228 1.00 0.00 O ATOM 633 CB HIS A 38 -6.006 4.652 -7.265 1.00 0.00 C ATOM 634 CG HIS A 38 -6.685 3.803 -6.183 1.00 0.00 C ATOM 635 ND1 HIS A 38 -6.003 2.868 -5.421 1.00 0.00 N ATOM 636 CD2 HIS A 38 -8.044 3.839 -5.788 1.00 0.00 C ATOM 637 CE1 HIS A 38 -7.008 2.401 -4.616 1.00 0.00 C ATOM 638 NE2 HIS A 38 -8.265 2.929 -4.766 1.00 0.00 N ATOM 0 H HIS A 38 -4.264 6.447 -8.445 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.196 6.520 -6.156 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.723 4.836 -8.065 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.186 4.078 -7.697 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -8.798 4.481 -6.219 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.815 1.635 -3.880 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -9.126 2.712 -4.264 1.00 0.00 H new ATOM 647 N SER A 39 -4.218 6.445 -4.672 1.00 0.00 N ATOM 648 CA SER A 39 -3.178 6.225 -3.640 1.00 0.00 C ATOM 649 C SER A 39 -3.602 5.080 -2.672 1.00 0.00 C ATOM 650 O SER A 39 -4.369 5.308 -1.729 1.00 0.00 O ATOM 651 CB SER A 39 -2.941 7.557 -2.881 1.00 0.00 C ATOM 652 OG SER A 39 -4.072 7.948 -2.099 1.00 0.00 O ATOM 0 H SER A 39 -4.952 7.093 -4.386 1.00 0.00 H new ATOM 0 HA SER A 39 -2.245 5.916 -4.110 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.072 7.452 -2.231 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.709 8.344 -3.598 1.00 0.00 H new ATOM 0 HG SER A 39 -4.531 7.149 -1.766 1.00 0.00 H new ATOM 658 N GLY A 40 -3.095 3.871 -2.922 1.00 0.00 N ATOM 659 CA GLY A 40 -3.329 2.702 -2.046 1.00 0.00 C ATOM 660 C GLY A 40 -3.303 1.398 -2.845 1.00 0.00 C ATOM 661 O GLY A 40 -4.356 0.941 -3.300 1.00 0.00 O ATOM 0 H GLY A 40 -2.511 3.666 -3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.567 2.670 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.292 2.806 -1.546 1.00 0.00 H new ATOM 665 N ALA A 41 -2.106 0.831 -3.033 1.00 0.00 N ATOM 666 CA ALA A 41 -1.917 -0.369 -3.878 1.00 0.00 C ATOM 667 C ALA A 41 -1.648 -1.630 -3.015 1.00 0.00 C ATOM 668 O ALA A 41 -0.561 -1.798 -2.448 1.00 0.00 O ATOM 669 CB ALA A 41 -0.767 -0.064 -4.852 1.00 0.00 C ATOM 0 H ALA A 41 -1.245 1.181 -2.612 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.823 -0.593 -4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.596 -0.928 -5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.028 0.799 -5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.140 0.153 -4.288 1.00 0.00 H new ATOM 675 N THR A 42 -2.650 -2.518 -2.937 1.00 0.00 N ATOM 676 CA THR A 42 -2.526 -3.828 -2.238 1.00 0.00 C ATOM 677 C THR A 42 -1.948 -4.936 -3.160 1.00 0.00 C ATOM 678 O THR A 42 -2.690 -5.729 -3.745 1.00 0.00 O ATOM 679 CB THR A 42 -3.868 -4.202 -1.541 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.718 -5.440 -0.840 1.00 0.00 O ATOM 681 CG2 THR A 42 -5.114 -4.362 -2.403 1.00 0.00 C ATOM 0 H THR A 42 -3.569 -2.360 -3.351 1.00 0.00 H new ATOM 0 HA THR A 42 -1.786 -3.732 -1.443 1.00 0.00 H new ATOM 0 HB THR A 42 -4.046 -3.328 -0.915 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.596 -5.753 -0.537 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.963 -4.622 -1.771 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.321 -3.425 -2.921 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.951 -5.153 -3.135 1.00 0.00 H new ATOM 689 N TRP A 43 -0.611 -5.019 -3.249 1.00 0.00 N ATOM 690 CA TRP A 43 0.060 -6.094 -4.038 1.00 0.00 C ATOM 691 C TRP A 43 0.382 -7.280 -3.088 1.00 0.00 C ATOM 692 O TRP A 43 1.391 -7.258 -2.379 1.00 0.00 O ATOM 693 CB TRP A 43 1.297 -5.490 -4.736 1.00 0.00 C ATOM 694 CG TRP A 43 2.006 -6.382 -5.827 1.00 0.00 C ATOM 695 CD1 TRP A 43 2.056 -7.810 -5.908 1.00 0.00 C ATOM 696 CD2 TRP A 43 2.821 -5.959 -6.896 1.00 0.00 C ATOM 697 NE1 TRP A 43 2.857 -8.265 -6.963 1.00 0.00 N ATOM 698 CE2 TRP A 43 3.334 -7.116 -7.547 1.00 0.00 C ATOM 699 CE3 TRP A 43 3.214 -4.657 -7.360 1.00 0.00 C ATOM 700 CZ2 TRP A 43 4.266 -6.985 -8.613 1.00 0.00 C ATOM 701 CZ3 TRP A 43 4.132 -4.561 -8.404 1.00 0.00 C ATOM 702 CH2 TRP A 43 4.661 -5.712 -9.013 1.00 0.00 C ATOM 0 H TRP A 43 0.030 -4.369 -2.795 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.580 -6.492 -4.825 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.998 -4.553 -5.206 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.032 -5.242 -3.970 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.532 -8.466 -5.229 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.044 -9.230 -7.236 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.804 -3.767 -6.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.662 -7.861 -9.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.442 -3.586 -8.751 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.387 -5.607 -9.806 1.00 0.00 H new ATOM 713 N SER A 44 -0.475 -8.311 -3.104 1.00 0.00 N ATOM 714 CA SER A 44 -0.247 -9.570 -2.348 1.00 0.00 C ATOM 715 C SER A 44 0.436 -10.653 -3.233 1.00 0.00 C ATOM 716 O SER A 44 -0.214 -11.412 -3.960 1.00 0.00 O ATOM 717 CB SER A 44 -1.585 -10.002 -1.688 1.00 0.00 C ATOM 718 OG SER A 44 -2.659 -10.189 -2.609 1.00 0.00 O ATOM 0 H SER A 44 -1.345 -8.305 -3.636 1.00 0.00 H new ATOM 0 HA SER A 44 0.467 -9.413 -1.539 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.424 -10.931 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.876 -9.248 -0.956 1.00 0.00 H new ATOM 0 HG SER A 44 -2.328 -10.648 -3.409 1.00 0.00 H new ATOM 724 N GLY A 45 1.775 -10.677 -3.185 1.00 0.00 N ATOM 725 CA GLY A 45 2.592 -11.553 -4.050 1.00 0.00 C ATOM 726 C GLY A 45 4.084 -11.220 -3.963 1.00 0.00 C ATOM 727 O GLY A 45 4.797 -11.774 -3.123 1.00 0.00 O ATOM 0 H GLY A 45 2.324 -10.096 -2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.436 -12.593 -3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.259 -11.454 -5.083 1.00 0.00 H new ATOM 731 N ARG A 46 4.535 -10.295 -4.821 1.00 0.00 N ATOM 732 CA ARG A 46 5.894 -9.694 -4.708 1.00 0.00 C ATOM 733 C ARG A 46 5.877 -8.537 -3.674 1.00 0.00 C ATOM 734 O ARG A 46 5.004 -7.661 -3.697 1.00 0.00 O ATOM 735 CB ARG A 46 6.327 -9.253 -6.127 1.00 0.00 C ATOM 736 CG ARG A 46 7.743 -8.656 -6.262 1.00 0.00 C ATOM 737 CD ARG A 46 7.778 -7.118 -6.233 1.00 0.00 C ATOM 738 NE ARG A 46 9.193 -6.668 -6.257 1.00 0.00 N ATOM 739 CZ ARG A 46 9.611 -5.442 -6.552 1.00 0.00 C ATOM 740 NH1 ARG A 46 8.818 -4.473 -6.939 1.00 0.00 N ATOM 741 NH2 ARG A 46 10.883 -5.188 -6.461 1.00 0.00 N ATOM 0 H ARG A 46 3.988 -9.939 -5.605 1.00 0.00 H new ATOM 0 HA ARG A 46 6.627 -10.409 -4.336 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.257 -10.116 -6.789 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.610 -8.515 -6.488 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.366 -9.039 -5.454 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.185 -9.002 -7.197 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.239 -6.713 -7.089 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.280 -6.747 -5.338 1.00 0.00 H new ATOM 0 HE ARG A 46 9.906 -7.360 -6.027 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.816 -4.639 -7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.203 -3.553 -7.151 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.530 -5.921 -6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.234 -4.256 -6.681 1.00 0.00 H new ATOM 755 N GLY A 47 6.879 -8.527 -2.783 1.00 0.00 N ATOM 756 CA GLY A 47 6.977 -7.512 -1.710 1.00 0.00 C ATOM 757 C GLY A 47 7.411 -6.117 -2.178 1.00 0.00 C ATOM 758 O GLY A 47 8.594 -5.782 -2.122 1.00 0.00 O ATOM 0 H GLY A 47 7.637 -9.209 -2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.008 -7.429 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.685 -7.864 -0.960 1.00 0.00 H new ATOM 762 N LYS A 48 6.434 -5.317 -2.622 1.00 0.00 N ATOM 763 CA LYS A 48 6.689 -3.932 -3.096 1.00 0.00 C ATOM 764 C LYS A 48 6.624 -2.902 -1.930 1.00 0.00 C ATOM 765 O LYS A 48 5.538 -2.551 -1.447 1.00 0.00 O ATOM 766 CB LYS A 48 5.768 -3.618 -4.308 1.00 0.00 C ATOM 767 CG LYS A 48 4.274 -3.374 -4.037 1.00 0.00 C ATOM 768 CD LYS A 48 3.875 -1.888 -4.078 1.00 0.00 C ATOM 769 CE LYS A 48 2.595 -1.564 -3.290 1.00 0.00 C ATOM 770 NZ LYS A 48 2.874 -1.555 -1.826 1.00 0.00 N ATOM 0 H LYS A 48 5.454 -5.597 -2.667 1.00 0.00 H new ATOM 0 HA LYS A 48 7.712 -3.845 -3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.165 -2.735 -4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.849 -4.447 -5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.686 -3.920 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.019 -3.783 -3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.696 -1.291 -3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.736 -1.588 -5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.206 -0.593 -3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.825 -2.302 -3.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.133 -2.089 -1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.799 -1.996 -1.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.885 -0.574 -1.481 1.00 0.00 H new ATOM 784 N ILE A 49 7.790 -2.413 -1.488 1.00 0.00 N ATOM 785 CA ILE A 49 7.878 -1.321 -0.481 1.00 0.00 C ATOM 786 C ILE A 49 8.272 -0.015 -1.266 1.00 0.00 C ATOM 787 O ILE A 49 9.464 0.140 -1.557 1.00 0.00 O ATOM 788 CB ILE A 49 8.901 -1.605 0.687 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.731 -2.965 1.412 1.00 0.00 C ATOM 790 CG2 ILE A 49 8.751 -0.497 1.770 1.00 0.00 C ATOM 791 CD1 ILE A 49 9.544 -4.096 0.786 1.00 0.00 C ATOM 0 H ILE A 49 8.697 -2.752 -1.808 1.00 0.00 H new ATOM 0 HA ILE A 49 6.914 -1.225 0.019 1.00 0.00 H new ATOM 0 HB ILE A 49 9.878 -1.622 0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.026 -2.851 2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.676 -3.241 1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.454 -0.684 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.960 0.476 1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.734 -0.506 2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.376 -5.017 1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.233 -4.238 -0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.604 -3.842 0.815 1.00 0.00 H new ATOM 803 N PRO A 50 7.379 0.958 -1.587 1.00 0.00 N ATOM 804 CA PRO A 50 7.797 2.244 -2.247 1.00 0.00 C ATOM 805 C PRO A 50 8.423 3.331 -1.320 1.00 0.00 C ATOM 806 O PRO A 50 8.176 4.527 -1.476 1.00 0.00 O ATOM 807 CB PRO A 50 6.466 2.670 -2.925 1.00 0.00 C ATOM 808 CG PRO A 50 5.374 2.178 -1.949 1.00 0.00 C ATOM 809 CD PRO A 50 5.919 0.833 -1.442 1.00 0.00 C ATOM 0 HA PRO A 50 8.636 2.111 -2.930 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.418 3.750 -3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.356 2.215 -3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.221 2.882 -1.131 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.413 2.058 -2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.636 0.654 -0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.530 -0.000 -2.027 1.00 0.00 H new ATOM 817 N LYS A 51 9.347 2.899 -0.454 1.00 0.00 N ATOM 818 CA LYS A 51 10.252 3.787 0.312 1.00 0.00 C ATOM 819 C LYS A 51 11.291 4.524 -0.583 1.00 0.00 C ATOM 820 O LYS A 51 11.233 5.753 -0.544 1.00 0.00 O ATOM 821 CB LYS A 51 10.876 3.018 1.511 1.00 0.00 C ATOM 822 CG LYS A 51 10.242 3.372 2.879 1.00 0.00 C ATOM 823 CD LYS A 51 8.778 2.932 3.019 1.00 0.00 C ATOM 824 CE LYS A 51 8.008 3.721 4.083 1.00 0.00 C ATOM 825 NZ LYS A 51 6.563 3.609 3.775 1.00 0.00 N ATOM 0 H LYS A 51 9.495 1.909 -0.257 1.00 0.00 H new ATOM 0 HA LYS A 51 9.655 4.597 0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.770 1.947 1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.944 3.230 1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.828 2.907 3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.303 4.450 3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.277 3.048 2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.747 1.872 3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.218 3.326 5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.318 4.766 4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.136 4.557 3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.440 3.161 2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.097 3.030 4.502 1.00 0.00 H new ATOM 839 N PRO A 52 12.168 3.918 -1.439 1.00 0.00 N ATOM 840 CA PRO A 52 12.948 4.701 -2.460 1.00 0.00 C ATOM 841 C PRO A 52 12.158 5.530 -3.513 1.00 0.00 C ATOM 842 O PRO A 52 12.694 6.527 -3.998 1.00 0.00 O ATOM 843 CB PRO A 52 13.863 3.619 -3.086 1.00 0.00 C ATOM 844 CG PRO A 52 13.090 2.296 -2.900 1.00 0.00 C ATOM 845 CD PRO A 52 12.393 2.461 -1.539 1.00 0.00 C ATOM 0 HA PRO A 52 13.472 5.526 -1.976 1.00 0.00 H new ATOM 0 HB2 PRO A 52 14.052 3.822 -4.140 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.832 3.584 -2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.368 2.139 -3.702 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.762 1.437 -2.903 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.455 1.907 -1.499 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.015 2.094 -0.723 1.00 0.00 H new ATOM 853 N PHE A 53 10.896 5.171 -3.820 1.00 0.00 N ATOM 854 CA PHE A 53 9.989 6.043 -4.609 1.00 0.00 C ATOM 855 C PHE A 53 9.481 7.274 -3.808 1.00 0.00 C ATOM 856 O PHE A 53 9.827 8.383 -4.206 1.00 0.00 O ATOM 857 CB PHE A 53 8.874 5.165 -5.216 1.00 0.00 C ATOM 858 CG PHE A 53 7.917 5.925 -6.151 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.326 6.320 -7.434 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.630 6.279 -5.714 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.455 7.007 -8.281 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.766 6.979 -6.556 1.00 0.00 C ATOM 863 CZ PHE A 53 6.171 7.327 -7.842 1.00 0.00 C ATOM 0 H PHE A 53 10.477 4.285 -3.536 1.00 0.00 H new ATOM 0 HA PHE A 53 10.540 6.500 -5.431 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.332 4.346 -5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.296 4.719 -4.407 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.326 6.090 -7.770 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.307 6.007 -4.720 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.775 7.290 -9.273 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.780 7.252 -6.210 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.490 7.845 -8.500 1.00 0.00 H new ATOM 873 N GLU A 54 8.723 7.112 -2.706 1.00 0.00 N ATOM 874 CA GLU A 54 8.278 8.266 -1.855 1.00 0.00 C ATOM 875 C GLU A 54 9.426 9.185 -1.291 1.00 0.00 C ATOM 876 O GLU A 54 9.236 10.399 -1.200 1.00 0.00 O ATOM 877 CB GLU A 54 7.385 7.706 -0.714 1.00 0.00 C ATOM 878 CG GLU A 54 6.560 8.753 0.072 1.00 0.00 C ATOM 879 CD GLU A 54 5.103 8.942 -0.328 1.00 0.00 C ATOM 880 OE1 GLU A 54 4.754 8.778 -1.515 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.293 9.308 0.557 1.00 0.00 O ATOM 0 H GLU A 54 8.400 6.203 -2.374 1.00 0.00 H new ATOM 0 HA GLU A 54 7.721 8.941 -2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.697 6.976 -1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.022 7.170 -0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.587 8.480 1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.062 9.716 -0.021 1.00 0.00 H new ATOM 888 N ALA A 55 10.592 8.604 -0.968 1.00 0.00 N ATOM 889 CA ALA A 55 11.830 9.349 -0.654 1.00 0.00 C ATOM 890 C ALA A 55 12.415 10.180 -1.822 1.00 0.00 C ATOM 891 O ALA A 55 12.603 11.380 -1.636 1.00 0.00 O ATOM 892 CB ALA A 55 12.839 8.319 -0.131 1.00 0.00 C ATOM 0 H ALA A 55 10.707 7.592 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 55 11.594 10.109 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.775 8.820 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.438 7.837 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.022 7.567 -0.898 1.00 0.00 H new ATOM 898 N TRP A 56 12.649 9.603 -3.018 1.00 0.00 N ATOM 899 CA TRP A 56 13.043 10.406 -4.216 1.00 0.00 C ATOM 900 C TRP A 56 11.938 11.379 -4.751 1.00 0.00 C ATOM 901 O TRP A 56 12.256 12.515 -5.108 1.00 0.00 O ATOM 902 CB TRP A 56 13.568 9.453 -5.312 1.00 0.00 C ATOM 903 CG TRP A 56 14.567 10.168 -6.281 1.00 0.00 C ATOM 904 CD1 TRP A 56 14.243 10.974 -7.406 1.00 0.00 C ATOM 905 CD2 TRP A 56 15.962 10.220 -6.195 1.00 0.00 C ATOM 906 NE1 TRP A 56 15.388 11.523 -8.010 1.00 0.00 N ATOM 907 CE2 TRP A 56 16.438 11.046 -7.249 1.00 0.00 C ATOM 908 CE3 TRP A 56 16.887 9.636 -5.270 1.00 0.00 C ATOM 909 CZ2 TRP A 56 17.835 11.292 -7.385 1.00 0.00 C ATOM 910 CZ3 TRP A 56 18.246 9.888 -5.432 1.00 0.00 C ATOM 911 CH2 TRP A 56 18.715 10.706 -6.477 1.00 0.00 C ATOM 0 H TRP A 56 12.576 8.600 -3.189 1.00 0.00 H new ATOM 0 HA TRP A 56 13.839 11.080 -3.900 1.00 0.00 H new ATOM 0 HB2 TRP A 56 14.063 8.601 -4.845 1.00 0.00 H new ATOM 0 HB3 TRP A 56 12.727 9.060 -5.884 1.00 0.00 H new ATOM 0 HD1 TRP A 56 13.236 11.145 -7.756 1.00 0.00 H new ATOM 0 HE1 TRP A 56 15.433 12.135 -8.825 1.00 0.00 H new ATOM 0 HE3 TRP A 56 16.536 9.012 -4.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 18.206 11.923 -8.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 18.953 9.448 -4.744 1.00 0.00 H new ATOM 0 HH2 TRP A 56 19.776 10.883 -6.577 1.00 0.00 H new ATOM 922 N ILE A 57 10.654 10.985 -4.708 1.00 0.00 N ATOM 923 CA ILE A 57 9.499 11.937 -4.819 1.00 0.00 C ATOM 924 C ILE A 57 9.345 12.960 -3.610 1.00 0.00 C ATOM 925 O ILE A 57 8.475 13.831 -3.664 1.00 0.00 O ATOM 926 CB ILE A 57 8.235 11.074 -5.140 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.302 10.293 -6.494 1.00 0.00 C ATOM 928 CG2 ILE A 57 6.864 11.754 -5.058 1.00 0.00 C ATOM 929 CD1 ILE A 57 8.368 11.114 -7.777 1.00 0.00 C ATOM 0 H ILE A 57 10.373 10.011 -4.597 1.00 0.00 H new ATOM 0 HA ILE A 57 9.674 12.640 -5.633 1.00 0.00 H new ATOM 0 HB ILE A 57 8.295 10.385 -4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.177 9.643 -6.465 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.427 9.646 -6.553 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.085 11.033 -5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.703 12.128 -4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.827 12.585 -5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.410 10.444 -8.636 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.482 11.744 -7.852 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.259 11.741 -7.762 1.00 0.00 H new ATOM 941 N GLY A 58 10.203 12.934 -2.582 1.00 0.00 N ATOM 942 CA GLY A 58 10.294 13.980 -1.541 1.00 0.00 C ATOM 943 C GLY A 58 11.612 14.772 -1.432 1.00 0.00 C ATOM 944 O GLY A 58 11.540 15.938 -1.046 1.00 0.00 O ATOM 0 H GLY A 58 10.868 12.173 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.488 14.693 -1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.105 13.510 -0.576 1.00 0.00 H new ATOM 948 N THR A 59 12.773 14.187 -1.774 1.00 0.00 N ATOM 949 CA THR A 59 14.115 14.847 -1.674 1.00 0.00 C ATOM 950 C THR A 59 14.218 16.300 -2.245 1.00 0.00 C ATOM 951 O THR A 59 14.724 17.195 -1.568 1.00 0.00 O ATOM 952 CB THR A 59 15.185 13.910 -2.342 1.00 0.00 C ATOM 953 OG1 THR A 59 15.142 12.591 -1.810 1.00 0.00 O ATOM 954 CG2 THR A 59 16.627 14.372 -2.161 1.00 0.00 C ATOM 0 H THR A 59 12.822 13.233 -2.133 1.00 0.00 H new ATOM 0 HA THR A 59 14.300 14.981 -0.608 1.00 0.00 H new ATOM 0 HB THR A 59 14.915 13.942 -3.398 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.247 12.214 -1.942 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.299 13.668 -2.653 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.750 15.361 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.864 14.417 -1.098 1.00 0.00 H new ATOM 962 N ALA A 60 13.717 16.492 -3.470 1.00 0.00 N ATOM 963 CA ALA A 60 13.496 17.839 -4.058 1.00 0.00 C ATOM 964 C ALA A 60 12.014 18.141 -4.455 1.00 0.00 C ATOM 965 O ALA A 60 11.590 19.293 -4.354 1.00 0.00 O ATOM 966 CB ALA A 60 14.443 17.978 -5.260 1.00 0.00 C ATOM 0 H ALA A 60 13.450 15.727 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 60 13.714 18.583 -3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.308 18.958 -5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.475 17.873 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.219 17.202 -5.991 1.00 0.00 H new ATOM 972 N ALA A 61 11.234 17.138 -4.885 1.00 0.00 N ATOM 973 CA ALA A 61 9.825 17.315 -5.280 1.00 0.00 C ATOM 974 C ALA A 61 8.802 17.780 -4.212 1.00 0.00 C ATOM 975 O ALA A 61 7.821 18.412 -4.600 1.00 0.00 O ATOM 976 CB ALA A 61 9.394 16.001 -5.937 1.00 0.00 C ATOM 0 H ALA A 61 11.563 16.176 -4.970 1.00 0.00 H new ATOM 0 HA ALA A 61 9.807 18.175 -5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.353 16.076 -6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.022 15.806 -6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.500 15.185 -5.222 1.00 0.00 H new ATOM 982 N TYR A 62 9.030 17.528 -2.912 1.00 0.00 N ATOM 983 CA TYR A 62 8.184 18.075 -1.808 1.00 0.00 C ATOM 984 C TYR A 62 7.810 19.588 -1.882 1.00 0.00 C ATOM 985 O TYR A 62 6.629 19.900 -1.734 1.00 0.00 O ATOM 986 CB TYR A 62 8.840 17.712 -0.457 1.00 0.00 C ATOM 987 CG TYR A 62 7.954 17.883 0.802 1.00 0.00 C ATOM 988 CD1 TYR A 62 6.763 17.152 0.976 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.346 18.762 1.823 1.00 0.00 C ATOM 990 CE1 TYR A 62 5.993 17.298 2.133 1.00 0.00 C ATOM 991 CE2 TYR A 62 7.573 18.908 2.979 1.00 0.00 C ATOM 992 CZ TYR A 62 6.399 18.177 3.133 1.00 0.00 C ATOM 993 OH TYR A 62 5.638 18.346 4.253 1.00 0.00 O ATOM 0 H TYR A 62 9.799 16.943 -2.585 1.00 0.00 H new ATOM 0 HA TYR A 62 7.211 17.597 -1.922 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.171 16.674 -0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.732 18.326 -0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.440 16.469 0.204 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.256 19.333 1.715 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.083 16.729 2.251 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.888 19.590 3.755 1.00 0.00 H new ATOM 0 HH TYR A 62 4.705 18.126 4.051 1.00 0.00 H new ATOM 1003 N THR A 63 8.762 20.493 -2.164 1.00 0.00 N ATOM 1004 CA THR A 63 8.435 21.932 -2.413 1.00 0.00 C ATOM 1005 C THR A 63 7.492 22.233 -3.624 1.00 0.00 C ATOM 1006 O THR A 63 6.594 23.070 -3.504 1.00 0.00 O ATOM 1007 CB THR A 63 9.725 22.787 -2.373 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.375 24.164 -2.298 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.704 22.650 -3.529 1.00 0.00 C ATOM 0 H THR A 63 9.756 20.271 -2.228 1.00 0.00 H new ATOM 0 HA THR A 63 7.797 22.240 -1.585 1.00 0.00 H new ATOM 0 HB THR A 63 10.245 22.398 -1.498 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.190 24.708 -2.271 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.557 23.308 -3.363 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.049 21.618 -3.594 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.209 22.926 -4.460 1.00 0.00 H new ATOM 1017 N ALA A 64 7.648 21.509 -4.750 1.00 0.00 N ATOM 1018 CA ALA A 64 6.661 21.547 -5.863 1.00 0.00 C ATOM 1019 C ALA A 64 5.300 20.827 -5.591 1.00 0.00 C ATOM 1020 O ALA A 64 4.255 21.341 -5.999 1.00 0.00 O ATOM 1021 CB ALA A 64 7.371 20.968 -7.098 1.00 0.00 C ATOM 0 H ALA A 64 8.442 20.892 -4.919 1.00 0.00 H new ATOM 0 HA ALA A 64 6.355 22.583 -6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.687 20.973 -7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.245 21.575 -7.333 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.684 19.945 -6.891 1.00 0.00 H new ATOM 1027 N TRP A 65 5.335 19.667 -4.925 1.00 0.00 N ATOM 1028 CA TRP A 65 4.147 18.916 -4.456 1.00 0.00 C ATOM 1029 C TRP A 65 3.236 19.628 -3.407 1.00 0.00 C ATOM 1030 O TRP A 65 2.011 19.541 -3.513 1.00 0.00 O ATOM 1031 CB TRP A 65 4.673 17.549 -3.922 1.00 0.00 C ATOM 1032 CG TRP A 65 3.778 16.365 -4.369 1.00 0.00 C ATOM 1033 CD1 TRP A 65 3.969 15.592 -5.539 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.591 15.891 -3.809 1.00 0.00 C ATOM 1035 NE1 TRP A 65 2.936 14.664 -5.730 1.00 0.00 N ATOM 1036 CE2 TRP A 65 2.089 14.870 -4.661 1.00 0.00 C ATOM 1037 CE3 TRP A 65 1.857 16.277 -2.644 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 0.853 14.241 -4.362 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.659 15.630 -2.368 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.155 14.629 -3.223 1.00 0.00 C ATOM 0 H TRP A 65 6.213 19.205 -4.687 1.00 0.00 H new ATOM 0 HA TRP A 65 3.471 18.811 -5.305 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.691 17.388 -4.278 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.717 17.578 -2.833 1.00 0.00 H new ATOM 0 HD1 TRP A 65 4.811 15.704 -6.206 1.00 0.00 H new ATOM 0 HE1 TRP A 65 2.834 13.989 -6.488 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.226 17.055 -1.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.459 13.472 -5.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.103 15.899 -1.482 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.788 14.156 -2.990 1.00 0.00 H new ATOM 1051 N LYS A 66 3.830 20.329 -2.433 1.00 0.00 N ATOM 1052 CA LYS A 66 3.097 21.141 -1.427 1.00 0.00 C ATOM 1053 C LYS A 66 2.272 22.350 -1.976 1.00 0.00 C ATOM 1054 O LYS A 66 1.196 22.618 -1.438 1.00 0.00 O ATOM 1055 CB LYS A 66 4.125 21.601 -0.355 1.00 0.00 C ATOM 1056 CG LYS A 66 4.583 20.489 0.616 1.00 0.00 C ATOM 1057 CD LYS A 66 3.565 20.122 1.703 1.00 0.00 C ATOM 1058 CE LYS A 66 3.425 21.166 2.818 1.00 0.00 C ATOM 1059 NZ LYS A 66 2.318 20.727 3.701 1.00 0.00 N ATOM 0 H LYS A 66 4.842 20.355 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 66 2.324 20.496 -1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.001 22.007 -0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.687 22.414 0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.814 19.594 0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.508 20.805 1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.591 19.974 1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.854 19.170 2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.354 21.252 3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.214 22.150 2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.293 21.326 4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.415 20.809 3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.469 19.737 3.981 1.00 0.00 H new ATOM 1073 N ALA A 67 2.718 23.030 -3.048 1.00 0.00 N ATOM 1074 CA ALA A 67 1.827 23.897 -3.860 1.00 0.00 C ATOM 1075 C ALA A 67 0.636 23.187 -4.593 1.00 0.00 C ATOM 1076 O ALA A 67 -0.442 23.776 -4.672 1.00 0.00 O ATOM 1077 CB ALA A 67 2.716 24.660 -4.854 1.00 0.00 C ATOM 0 H ALA A 67 3.684 23.000 -3.375 1.00 0.00 H new ATOM 0 HA ALA A 67 1.313 24.559 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.096 25.310 -5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.441 25.262 -4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.243 23.949 -5.491 1.00 0.00 H new ATOM 1083 N LYS A 68 0.809 21.955 -5.109 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.299 21.190 -5.754 1.00 0.00 C ATOM 1085 C LYS A 68 -1.353 20.549 -4.786 1.00 0.00 C ATOM 1086 O LYS A 68 -2.544 20.592 -5.098 1.00 0.00 O ATOM 1087 CB LYS A 68 0.339 20.095 -6.657 1.00 0.00 C ATOM 1088 CG LYS A 68 1.075 20.659 -7.897 1.00 0.00 C ATOM 1089 CD LYS A 68 2.343 19.853 -8.212 1.00 0.00 C ATOM 1090 CE LYS A 68 3.225 20.440 -9.326 1.00 0.00 C ATOM 1091 NZ LYS A 68 3.863 21.710 -8.871 1.00 0.00 N ATOM 0 H LYS A 68 1.701 21.460 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.880 21.917 -6.322 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.042 19.512 -6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.442 19.411 -6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.407 20.640 -8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.339 21.702 -7.722 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.939 19.771 -7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.052 18.841 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.994 19.720 -9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.623 20.627 -10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.764 21.845 -9.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.229 22.509 -9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.041 21.662 -7.848 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.935 19.916 -3.681 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.857 19.282 -2.691 1.00 0.00 C ATOM 1107 C HIS A 69 -1.415 19.628 -1.211 1.00 0.00 C ATOM 1108 O HIS A 69 -0.215 19.812 -0.986 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.869 17.751 -2.928 1.00 0.00 C ATOM 1110 CG HIS A 69 -3.129 17.175 -3.597 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.839 16.120 -3.046 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -3.695 17.510 -4.854 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -4.782 15.895 -4.010 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -4.783 16.693 -5.121 1.00 0.00 N ATOM 0 H HIS A 69 0.051 19.822 -3.436 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.865 19.674 -2.826 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.007 17.493 -3.543 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.735 17.255 -1.967 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.331 18.289 -5.508 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.510 15.105 -3.897 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.411 16.688 -5.925 1.00 0.00 H new ATOM 1123 N PRO A 70 -2.311 19.700 -0.182 1.00 0.00 N ATOM 1124 CA PRO A 70 -1.996 20.405 1.118 1.00 0.00 C ATOM 1125 C PRO A 70 -0.916 19.759 2.009 1.00 0.00 C ATOM 1126 O PRO A 70 0.230 20.212 1.978 1.00 0.00 O ATOM 1127 CB PRO A 70 -3.396 20.614 1.753 1.00 0.00 C ATOM 1128 CG PRO A 70 -4.270 19.497 1.133 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.760 19.429 -0.318 1.00 0.00 C ATOM 0 HA PRO A 70 -1.479 21.351 0.957 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.356 20.531 2.839 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.793 21.603 1.523 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.140 18.547 1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.331 19.742 1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.947 18.452 -0.765 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.250 20.168 -0.952 1.00 0.00 H new ATOM 1137 N ASP A 71 -1.218 18.708 2.779 1.00 0.00 N ATOM 1138 CA ASP A 71 -0.215 17.660 3.109 1.00 0.00 C ATOM 1139 C ASP A 71 -0.878 16.267 2.879 1.00 0.00 C ATOM 1140 O ASP A 71 -1.268 15.558 3.811 1.00 0.00 O ATOM 1141 CB ASP A 71 0.334 17.883 4.529 1.00 0.00 C ATOM 1142 CG ASP A 71 1.737 17.301 4.714 1.00 0.00 C ATOM 1143 OD1 ASP A 71 2.684 17.824 4.088 1.00 0.00 O ATOM 1144 OD2 ASP A 71 1.909 16.335 5.485 1.00 0.00 O ATOM 0 H ASP A 71 -2.139 18.551 3.188 1.00 0.00 H new ATOM 0 HA ASP A 71 0.658 17.711 2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.357 18.952 4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.343 17.428 5.252 1.00 0.00 H new ATOM 1149 N GLU A 72 -1.027 15.902 1.593 1.00 0.00 N ATOM 1150 CA GLU A 72 -1.524 14.558 1.211 1.00 0.00 C ATOM 1151 C GLU A 72 -0.408 13.454 1.173 1.00 0.00 C ATOM 1152 O GLU A 72 -0.640 12.350 1.664 1.00 0.00 O ATOM 1153 CB GLU A 72 -2.266 14.630 -0.149 1.00 0.00 C ATOM 1154 CG GLU A 72 -3.248 13.461 -0.349 1.00 0.00 C ATOM 1155 CD GLU A 72 -3.329 12.911 -1.755 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -2.399 12.186 -2.174 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -4.330 13.191 -2.445 1.00 0.00 O ATOM 0 H GLU A 72 -0.814 16.510 0.802 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.216 14.253 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.810 15.572 -0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.536 14.629 -0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.963 12.651 0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.243 13.790 -0.048 1.00 0.00 H new ATOM 1164 N LYS A 73 0.740 13.733 0.530 1.00 0.00 N ATOM 1165 CA LYS A 73 1.910 12.817 0.497 1.00 0.00 C ATOM 1166 C LYS A 73 2.762 12.912 1.794 1.00 0.00 C ATOM 1167 O LYS A 73 2.904 13.992 2.376 1.00 0.00 O ATOM 1168 CB LYS A 73 2.742 13.188 -0.753 1.00 0.00 C ATOM 1169 CG LYS A 73 3.815 12.153 -1.138 1.00 0.00 C ATOM 1170 CD LYS A 73 5.009 12.767 -1.879 1.00 0.00 C ATOM 1171 CE LYS A 73 5.984 13.468 -0.920 1.00 0.00 C ATOM 1172 NZ LYS A 73 6.763 14.484 -1.667 1.00 0.00 N ATOM 0 H LYS A 73 0.890 14.601 0.015 1.00 0.00 H new ATOM 0 HA LYS A 73 1.573 11.782 0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.066 13.322 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.228 14.148 -0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.172 11.657 -0.236 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.362 11.386 -1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.537 11.986 -2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.648 13.484 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.434 13.941 -0.106 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.656 12.738 -0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.412 14.971 -1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.311 14.018 -2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.113 15.176 -2.092 1.00 0.00 H new ATOM 1186 N PHE A 74 3.363 11.791 2.218 1.00 0.00 N ATOM 1187 CA PHE A 74 4.196 11.764 3.444 1.00 0.00 C ATOM 1188 C PHE A 74 5.522 12.596 3.315 1.00 0.00 C ATOM 1189 O PHE A 74 6.172 12.512 2.263 1.00 0.00 O ATOM 1190 CB PHE A 74 4.497 10.277 3.776 1.00 0.00 C ATOM 1191 CG PHE A 74 4.804 10.024 5.259 1.00 0.00 C ATOM 1192 CD1 PHE A 74 3.750 9.779 6.153 1.00 0.00 C ATOM 1193 CD2 PHE A 74 6.115 10.083 5.761 1.00 0.00 C ATOM 1194 CE1 PHE A 74 3.997 9.613 7.517 1.00 0.00 C ATOM 1195 CE2 PHE A 74 6.360 9.924 7.127 1.00 0.00 C ATOM 1196 CZ PHE A 74 5.300 9.690 8.002 1.00 0.00 C ATOM 0 H PHE A 74 3.293 10.893 1.739 1.00 0.00 H new ATOM 0 HA PHE A 74 3.642 12.240 4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.642 9.668 3.483 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.345 9.945 3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.738 9.718 5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.940 10.253 5.085 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.178 9.425 8.196 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.370 9.982 7.505 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.490 9.568 9.058 1.00 0.00 H new ATOM 1206 N PRO A 75 5.979 13.361 4.343 1.00 0.00 N ATOM 1207 CA PRO A 75 7.318 14.038 4.318 1.00 0.00 C ATOM 1208 C PRO A 75 8.517 13.058 4.459 1.00 0.00 C ATOM 1209 O PRO A 75 9.105 12.876 5.528 1.00 0.00 O ATOM 1210 CB PRO A 75 7.173 15.065 5.470 1.00 0.00 C ATOM 1211 CG PRO A 75 6.177 14.419 6.459 1.00 0.00 C ATOM 1212 CD PRO A 75 5.185 13.678 5.553 1.00 0.00 C ATOM 0 HA PRO A 75 7.559 14.508 3.364 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.133 15.260 5.948 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.800 16.021 5.102 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.680 13.736 7.143 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.676 15.170 7.069 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.806 12.775 6.030 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.322 14.299 5.313 1.00 0.00 H new ATOM 1220 N ALA A 76 8.848 12.422 3.327 1.00 0.00 N ATOM 1221 CA ALA A 76 9.842 11.333 3.275 1.00 0.00 C ATOM 1222 C ALA A 76 11.232 11.816 2.783 1.00 0.00 C ATOM 1223 O ALA A 76 11.371 12.439 1.725 1.00 0.00 O ATOM 1224 CB ALA A 76 9.274 10.264 2.331 1.00 0.00 C ATOM 0 H ALA A 76 8.437 12.645 2.421 1.00 0.00 H new ATOM 0 HA ALA A 76 10.007 10.938 4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.976 9.433 2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.323 9.903 2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.120 10.696 1.342 1.00 0.00 H new ATOM 1230 N PHE A 77 12.256 11.492 3.574 1.00 0.00 N ATOM 1231 CA PHE A 77 13.663 11.868 3.293 1.00 0.00 C ATOM 1232 C PHE A 77 14.462 10.777 2.498 1.00 0.00 C ATOM 1233 O PHE A 77 14.086 9.601 2.568 1.00 0.00 O ATOM 1234 CB PHE A 77 14.314 12.249 4.657 1.00 0.00 C ATOM 1235 CG PHE A 77 14.720 11.094 5.592 1.00 0.00 C ATOM 1236 CD1 PHE A 77 13.798 10.520 6.483 1.00 0.00 C ATOM 1237 CD2 PHE A 77 16.020 10.565 5.536 1.00 0.00 C ATOM 1238 CE1 PHE A 77 14.167 9.440 7.289 1.00 0.00 C ATOM 1239 CE2 PHE A 77 16.386 9.482 6.336 1.00 0.00 C ATOM 1240 CZ PHE A 77 15.460 8.923 7.212 1.00 0.00 C ATOM 0 H PHE A 77 12.143 10.958 4.436 1.00 0.00 H new ATOM 0 HA PHE A 77 13.689 12.722 2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.203 12.846 4.452 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.617 12.891 5.196 1.00 0.00 H new ATOM 0 HD1 PHE A 77 12.796 10.917 6.546 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.745 11.002 4.865 1.00 0.00 H new ATOM 0 HE1 PHE A 77 13.451 9.006 7.971 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.386 9.078 6.276 1.00 0.00 H new ATOM 0 HZ PHE A 77 15.744 8.087 7.834 1.00 0.00 H new ATOM 1250 N PRO A 78 15.594 11.078 1.800 1.00 0.00 N ATOM 1251 CA PRO A 78 16.467 10.017 1.197 1.00 0.00 C ATOM 1252 C PRO A 78 17.288 9.215 2.245 1.00 0.00 C ATOM 1253 O PRO A 78 18.263 9.716 2.815 1.00 0.00 O ATOM 1254 CB PRO A 78 17.334 10.850 0.218 1.00 0.00 C ATOM 1255 CG PRO A 78 17.471 12.225 0.907 1.00 0.00 C ATOM 1256 CD PRO A 78 16.109 12.448 1.583 1.00 0.00 C ATOM 0 HA PRO A 78 15.911 9.217 0.708 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.308 10.387 0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.857 10.940 -0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.282 12.226 1.636 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.690 13.012 0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.213 12.990 2.523 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.440 13.032 0.951 1.00 0.00 H new ATOM 1264 N GLY A 79 16.864 7.966 2.493 1.00 0.00 N ATOM 1265 CA GLY A 79 17.494 7.107 3.512 1.00 0.00 C ATOM 1266 C GLY A 79 17.189 5.633 3.284 1.00 0.00 C ATOM 1267 O GLY A 79 18.060 4.764 3.284 1.00 0.00 O ATOM 0 H GLY A 79 16.086 7.526 2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.573 7.260 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.143 7.401 4.501 1.00 0.00 H new