USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 400 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 9 THR OG1 : rot -27:sc= 0.0949! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.64! C(o=-1.6!,f=-1.3!) USER MOD Single : A 25 THR OG1 : rot -90:sc= 1.25 USER MOD Single : A 26 ASN : amide:sc= -0.879! X(o=-0.88!,f=-1.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -153:sc= -0.183 (180deg=-1) USER MOD Single : A 55 ASN : amide:sc= -0.074 K(o=-0.074,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.086 -9.991 -0.488 1.00 0.00 N ATOM 2 CA GLY A 1 1.237 -9.307 0.783 1.00 0.00 C ATOM 3 C GLY A 1 0.375 -8.064 0.879 1.00 0.00 C ATOM 4 O GLY A 1 0.840 -6.956 0.611 1.00 0.00 O ATOM 0 H1 GLY A 1 1.696 -10.833 -0.503 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.094 -10.279 -0.612 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.360 -9.351 -1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.977 -9.989 1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.283 -9.032 0.922 1.00 0.00 H new ATOM 8 N SER A 2 -0.885 -8.247 1.259 1.00 0.00 N ATOM 9 CA SER A 2 -1.816 -7.132 1.384 1.00 0.00 C ATOM 10 C SER A 2 -2.365 -7.039 2.805 1.00 0.00 C ATOM 11 O SER A 2 -2.688 -8.053 3.425 1.00 0.00 O ATOM 12 CB SER A 2 -2.967 -7.287 0.389 1.00 0.00 C ATOM 13 OG SER A 2 -2.542 -7.002 -0.932 1.00 0.00 O ATOM 0 H SER A 2 -1.285 -9.157 1.486 1.00 0.00 H new ATOM 0 HA SER A 2 -1.275 -6.212 1.162 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.359 -8.303 0.437 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.782 -6.618 0.664 1.00 0.00 H new ATOM 0 HG SER A 2 -3.296 -7.110 -1.549 1.00 0.00 H new ATOM 19 N SER A 3 -2.468 -5.816 3.314 1.00 0.00 N ATOM 20 CA SER A 3 -2.974 -5.589 4.663 1.00 0.00 C ATOM 21 C SER A 3 -4.456 -5.225 4.633 1.00 0.00 C ATOM 22 O SER A 3 -5.047 -5.070 3.565 1.00 0.00 O ATOM 23 CB SER A 3 -2.178 -4.478 5.349 1.00 0.00 C ATOM 24 OG SER A 3 -2.361 -3.237 4.690 1.00 0.00 O ATOM 0 H SER A 3 -2.208 -4.967 2.813 1.00 0.00 H new ATOM 0 HA SER A 3 -2.856 -6.513 5.229 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.492 -4.391 6.389 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.119 -4.737 5.356 1.00 0.00 H new ATOM 0 HG SER A 3 -1.843 -2.543 5.149 1.00 0.00 H new ATOM 30 N GLY A 4 -5.050 -5.090 5.815 1.00 0.00 N ATOM 31 CA GLY A 4 -6.457 -4.746 5.903 1.00 0.00 C ATOM 32 C GLY A 4 -6.755 -3.375 5.329 1.00 0.00 C ATOM 33 O GLY A 4 -6.605 -2.362 6.012 1.00 0.00 O ATOM 0 H GLY A 4 -4.582 -5.213 6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.045 -5.495 5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.771 -4.776 6.946 1.00 0.00 H new ATOM 37 N SER A 5 -7.176 -3.342 4.068 1.00 0.00 N ATOM 38 CA SER A 5 -7.490 -2.084 3.400 1.00 0.00 C ATOM 39 C SER A 5 -8.784 -1.487 3.947 1.00 0.00 C ATOM 40 O SER A 5 -9.665 -2.209 4.413 1.00 0.00 O ATOM 41 CB SER A 5 -7.613 -2.301 1.891 1.00 0.00 C ATOM 42 OG SER A 5 -8.788 -3.026 1.573 1.00 0.00 O ATOM 0 H SER A 5 -7.307 -4.171 3.489 1.00 0.00 H new ATOM 0 HA SER A 5 -6.677 -1.385 3.594 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.628 -1.337 1.382 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.739 -2.841 1.526 1.00 0.00 H new ATOM 0 HG SER A 5 -8.844 -3.150 0.602 1.00 0.00 H new ATOM 48 N SER A 6 -8.890 -0.164 3.885 1.00 0.00 N ATOM 49 CA SER A 6 -10.073 0.532 4.377 1.00 0.00 C ATOM 50 C SER A 6 -11.229 0.401 3.390 1.00 0.00 C ATOM 51 O SER A 6 -12.361 0.110 3.777 1.00 0.00 O ATOM 52 CB SER A 6 -9.759 2.009 4.618 1.00 0.00 C ATOM 53 OG SER A 6 -8.629 2.160 5.461 1.00 0.00 O ATOM 0 H SER A 6 -8.171 0.448 3.499 1.00 0.00 H new ATOM 0 HA SER A 6 -10.368 0.073 5.320 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.574 2.505 3.665 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.622 2.498 5.070 1.00 0.00 H new ATOM 0 HG SER A 6 -8.448 3.113 5.598 1.00 0.00 H new ATOM 59 N GLY A 7 -10.936 0.618 2.112 1.00 0.00 N ATOM 60 CA GLY A 7 -11.960 0.520 1.088 1.00 0.00 C ATOM 61 C GLY A 7 -12.507 -0.887 0.948 1.00 0.00 C ATOM 62 O GLY A 7 -13.224 -1.372 1.823 1.00 0.00 O ATOM 0 H GLY A 7 -10.007 0.860 1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.776 1.202 1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.546 0.842 0.133 1.00 0.00 H new ATOM 66 N TYR A 8 -12.169 -1.543 -0.156 1.00 0.00 N ATOM 67 CA TYR A 8 -12.634 -2.901 -0.411 1.00 0.00 C ATOM 68 C TYR A 8 -11.793 -3.572 -1.493 1.00 0.00 C ATOM 69 O TYR A 8 -10.905 -2.952 -2.080 1.00 0.00 O ATOM 70 CB TYR A 8 -14.106 -2.889 -0.827 1.00 0.00 C ATOM 71 CG TYR A 8 -14.312 -2.777 -2.321 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.309 -3.907 -3.129 1.00 0.00 C ATOM 73 CD2 TYR A 8 -14.508 -1.540 -2.924 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.496 -3.809 -4.494 1.00 0.00 C ATOM 75 CE2 TYR A 8 -14.697 -1.433 -4.288 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.690 -2.570 -5.069 1.00 0.00 C ATOM 77 OH TYR A 8 -14.877 -2.467 -6.428 1.00 0.00 O ATOM 0 H TYR A 8 -11.574 -1.156 -0.889 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.529 -3.472 0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.583 -3.802 -0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.607 -2.055 -0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.158 -4.879 -2.682 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.513 -0.648 -2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.490 -4.698 -5.108 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.849 -0.464 -4.741 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.000 -1.526 -6.671 1.00 0.00 H new ATOM 87 N THR A 9 -12.080 -4.843 -1.754 1.00 0.00 N ATOM 88 CA THR A 9 -11.352 -5.600 -2.764 1.00 0.00 C ATOM 89 C THR A 9 -12.101 -6.871 -3.145 1.00 0.00 C ATOM 90 O THR A 9 -12.884 -7.403 -2.357 1.00 0.00 O ATOM 91 CB THR A 9 -9.940 -5.976 -2.276 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.301 -4.832 -1.698 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.095 -6.511 -3.422 1.00 0.00 C ATOM 0 H THR A 9 -12.813 -5.370 -1.279 1.00 0.00 H new ATOM 0 HA THR A 9 -11.266 -4.956 -3.639 1.00 0.00 H new ATOM 0 HB THR A 9 -10.036 -6.757 -1.522 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.670 -4.016 -2.096 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.103 -6.770 -3.053 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.569 -7.399 -3.840 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.007 -5.748 -4.196 1.00 0.00 H new ATOM 101 N CYS A 10 -11.856 -7.356 -4.358 1.00 0.00 N ATOM 102 CA CYS A 10 -12.507 -8.566 -4.845 1.00 0.00 C ATOM 103 C CYS A 10 -12.308 -9.721 -3.867 1.00 0.00 C ATOM 104 O CYS A 10 -11.192 -10.206 -3.681 1.00 0.00 O ATOM 105 CB CYS A 10 -11.958 -8.948 -6.221 1.00 0.00 C ATOM 106 SG CYS A 10 -12.649 -10.493 -6.894 1.00 0.00 S ATOM 0 H CYS A 10 -11.210 -6.929 -5.022 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.575 -8.365 -4.931 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.162 -8.137 -6.920 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.875 -9.046 -6.154 1.00 0.00 H new ATOM 111 N PHE A 11 -13.399 -10.157 -3.245 1.00 0.00 N ATOM 112 CA PHE A 11 -13.345 -11.255 -2.287 1.00 0.00 C ATOM 113 C PHE A 11 -13.155 -12.591 -2.999 1.00 0.00 C ATOM 114 O PHE A 11 -13.022 -13.634 -2.360 1.00 0.00 O ATOM 115 CB PHE A 11 -14.623 -11.289 -1.446 1.00 0.00 C ATOM 116 CG PHE A 11 -14.634 -12.383 -0.417 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.793 -12.326 0.683 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.486 -13.467 -0.549 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.801 -13.332 1.631 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.499 -14.476 0.397 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.656 -14.407 1.488 1.00 0.00 C ATOM 0 H PHE A 11 -14.331 -9.767 -3.387 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.490 -11.089 -1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.744 -10.329 -0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.480 -11.414 -2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.124 -11.486 0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.148 -13.525 -1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.139 -13.277 2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.168 -15.316 0.282 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.665 -15.193 2.229 1.00 0.00 H new ATOM 131 N ARG A 12 -13.144 -12.550 -4.328 1.00 0.00 N ATOM 132 CA ARG A 12 -12.973 -13.756 -5.128 1.00 0.00 C ATOM 133 C ARG A 12 -11.498 -14.135 -5.232 1.00 0.00 C ATOM 134 O ARG A 12 -11.067 -15.151 -4.686 1.00 0.00 O ATOM 135 CB ARG A 12 -13.558 -13.554 -6.527 1.00 0.00 C ATOM 136 CG ARG A 12 -13.964 -14.849 -7.210 1.00 0.00 C ATOM 137 CD ARG A 12 -14.775 -14.584 -8.469 1.00 0.00 C ATOM 138 NE ARG A 12 -15.651 -15.704 -8.802 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.229 -16.817 -9.391 1.00 0.00 C ATOM 140 NH1 ARG A 12 -13.950 -16.958 -9.710 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.087 -17.792 -9.662 1.00 0.00 N ATOM 0 H ARG A 12 -13.252 -11.694 -4.873 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.506 -14.568 -4.633 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.428 -12.902 -6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.824 -13.040 -7.148 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.073 -15.423 -7.464 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.549 -15.458 -6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.374 -13.684 -8.331 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.099 -14.393 -9.302 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.641 -15.627 -8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.287 -16.211 -9.503 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.629 -17.814 -10.162 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.072 -17.687 -9.418 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.762 -18.646 -10.114 1.00 0.00 H new ATOM 155 N CYS A 13 -10.730 -13.311 -5.937 1.00 0.00 N ATOM 156 CA CYS A 13 -9.304 -13.559 -6.114 1.00 0.00 C ATOM 157 C CYS A 13 -8.482 -12.736 -5.126 1.00 0.00 C ATOM 158 O CYS A 13 -7.378 -13.123 -4.747 1.00 0.00 O ATOM 159 CB CYS A 13 -8.882 -13.227 -7.547 1.00 0.00 C ATOM 160 SG CYS A 13 -9.036 -11.464 -7.978 1.00 0.00 S ATOM 0 H CYS A 13 -11.071 -12.466 -6.395 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.117 -14.616 -5.923 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.847 -13.536 -7.690 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.488 -13.813 -8.238 1.00 0.00 H new ATOM 165 N GLY A 14 -9.030 -11.596 -4.714 1.00 0.00 N ATOM 166 CA GLY A 14 -8.334 -10.737 -3.774 1.00 0.00 C ATOM 167 C GLY A 14 -7.541 -9.645 -4.465 1.00 0.00 C ATOM 168 O GLY A 14 -6.420 -9.332 -4.064 1.00 0.00 O ATOM 0 H GLY A 14 -9.942 -11.253 -5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.057 -10.283 -3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.661 -11.340 -3.164 1.00 0.00 H new ATOM 172 N LYS A 15 -8.123 -9.063 -5.508 1.00 0.00 N ATOM 173 CA LYS A 15 -7.465 -8.000 -6.258 1.00 0.00 C ATOM 174 C LYS A 15 -8.357 -6.766 -6.349 1.00 0.00 C ATOM 175 O LYS A 15 -9.544 -6.850 -6.663 1.00 0.00 O ATOM 176 CB LYS A 15 -7.104 -8.487 -7.663 1.00 0.00 C ATOM 177 CG LYS A 15 -6.102 -9.628 -7.672 1.00 0.00 C ATOM 178 CD LYS A 15 -4.678 -9.120 -7.819 1.00 0.00 C ATOM 179 CE LYS A 15 -4.248 -9.077 -9.277 1.00 0.00 C ATOM 180 NZ LYS A 15 -3.603 -10.350 -9.702 1.00 0.00 N ATOM 0 H LYS A 15 -9.050 -9.310 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.552 -7.728 -5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.013 -8.809 -8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.697 -7.653 -8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.192 -10.199 -6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.332 -10.309 -8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.600 -8.123 -7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.001 -9.764 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.116 -8.882 -9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.554 -8.250 -9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.324 -10.281 -10.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.760 -10.524 -9.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.274 -11.136 -9.583 1.00 0.00 H new ATOM 194 N PRO A 16 -7.773 -5.591 -6.070 1.00 0.00 N ATOM 195 CA PRO A 16 -8.496 -4.317 -6.117 1.00 0.00 C ATOM 196 C PRO A 16 -8.862 -3.909 -7.540 1.00 0.00 C ATOM 197 O PRO A 16 -8.488 -4.577 -8.503 1.00 0.00 O ATOM 198 CB PRO A 16 -7.502 -3.321 -5.514 1.00 0.00 C ATOM 199 CG PRO A 16 -6.163 -3.926 -5.763 1.00 0.00 C ATOM 200 CD PRO A 16 -6.361 -5.415 -5.689 1.00 0.00 C ATOM 0 HA PRO A 16 -9.445 -4.368 -5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.588 -2.342 -5.985 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.681 -3.179 -4.448 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.777 -3.632 -6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.439 -3.591 -5.020 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.693 -5.943 -6.369 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.164 -5.797 -4.687 1.00 0.00 H new ATOM 208 N GLY A 17 -9.595 -2.807 -7.665 1.00 0.00 N ATOM 209 CA GLY A 17 -9.998 -2.329 -8.975 1.00 0.00 C ATOM 210 C GLY A 17 -11.322 -2.915 -9.424 1.00 0.00 C ATOM 211 O GLY A 17 -12.065 -2.285 -10.177 1.00 0.00 O ATOM 0 H GLY A 17 -9.917 -2.237 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.074 -1.242 -8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.227 -2.581 -9.703 1.00 0.00 H new ATOM 215 N HIS A 18 -11.618 -4.126 -8.962 1.00 0.00 N ATOM 216 CA HIS A 18 -12.862 -4.799 -9.322 1.00 0.00 C ATOM 217 C HIS A 18 -13.426 -5.570 -8.132 1.00 0.00 C ATOM 218 O HIS A 18 -12.710 -5.864 -7.175 1.00 0.00 O ATOM 219 CB HIS A 18 -12.631 -5.748 -10.498 1.00 0.00 C ATOM 220 CG HIS A 18 -11.864 -6.981 -10.130 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.490 -7.063 -10.207 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.287 -8.186 -9.680 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.100 -8.265 -9.821 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.172 -8.966 -9.496 1.00 0.00 N ATOM 0 H HIS A 18 -11.014 -4.661 -8.338 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.586 -4.039 -9.616 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.595 -6.040 -10.913 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.094 -5.216 -11.283 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.871 -6.313 -10.514 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.311 -8.479 -9.499 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.079 -8.615 -9.778 1.00 0.00 H new ATOM 232 N TYR A 19 -14.712 -5.893 -8.200 1.00 0.00 N ATOM 233 CA TYR A 19 -15.373 -6.628 -7.127 1.00 0.00 C ATOM 234 C TYR A 19 -15.579 -8.089 -7.514 1.00 0.00 C ATOM 235 O TYR A 19 -15.329 -8.482 -8.654 1.00 0.00 O ATOM 236 CB TYR A 19 -16.719 -5.983 -6.794 1.00 0.00 C ATOM 237 CG TYR A 19 -17.385 -5.322 -7.980 1.00 0.00 C ATOM 238 CD1 TYR A 19 -18.211 -6.047 -8.830 1.00 0.00 C ATOM 239 CD2 TYR A 19 -17.189 -3.973 -8.249 1.00 0.00 C ATOM 240 CE1 TYR A 19 -18.821 -5.448 -9.915 1.00 0.00 C ATOM 241 CE2 TYR A 19 -17.796 -3.366 -9.331 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.610 -4.107 -10.162 1.00 0.00 C ATOM 243 OH TYR A 19 -19.217 -3.506 -11.241 1.00 0.00 O ATOM 0 H TYR A 19 -15.318 -5.658 -8.986 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.731 -6.591 -6.247 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.387 -6.744 -6.391 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.572 -5.240 -6.010 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -18.379 -7.097 -8.639 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -16.551 -3.389 -7.601 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.460 -6.026 -10.566 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.634 -2.316 -9.525 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.966 -2.559 -11.272 1.00 0.00 H new ATOM 253 N ILE A 20 -16.035 -8.889 -6.556 1.00 0.00 N ATOM 254 CA ILE A 20 -16.277 -10.306 -6.796 1.00 0.00 C ATOM 255 C ILE A 20 -17.372 -10.509 -7.836 1.00 0.00 C ATOM 256 O ILE A 20 -17.522 -11.598 -8.393 1.00 0.00 O ATOM 257 CB ILE A 20 -16.674 -11.037 -5.499 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.016 -12.498 -5.796 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.849 -10.336 -4.835 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.795 -13.422 -4.619 1.00 0.00 C ATOM 0 H ILE A 20 -16.244 -8.580 -5.607 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.343 -10.726 -7.169 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.828 -11.014 -4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.059 -12.563 -6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.411 -12.841 -6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.118 -10.864 -3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.571 -9.310 -4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.701 -10.331 -5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.058 -14.441 -4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.747 -13.387 -4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.420 -13.104 -3.785 1.00 0.00 H new ATOM 272 N LYS A 21 -18.137 -9.454 -8.097 1.00 0.00 N ATOM 273 CA LYS A 21 -19.218 -9.514 -9.073 1.00 0.00 C ATOM 274 C LYS A 21 -18.695 -9.244 -10.481 1.00 0.00 C ATOM 275 O LYS A 21 -19.264 -9.715 -11.464 1.00 0.00 O ATOM 276 CB LYS A 21 -20.308 -8.499 -8.720 1.00 0.00 C ATOM 277 CG LYS A 21 -20.321 -8.107 -7.253 1.00 0.00 C ATOM 278 CD LYS A 21 -21.693 -7.619 -6.818 1.00 0.00 C ATOM 279 CE LYS A 21 -21.591 -6.571 -5.721 1.00 0.00 C ATOM 280 NZ LYS A 21 -21.414 -7.189 -4.378 1.00 0.00 N ATOM 0 H LYS A 21 -18.028 -8.546 -7.645 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.642 -10.518 -9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.169 -7.603 -9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.280 -8.915 -8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.028 -8.963 -6.644 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.583 -7.324 -7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -22.220 -7.199 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.284 -8.463 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -20.751 -5.908 -5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.491 -5.956 -5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.349 -6.442 -3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.227 -7.802 -4.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -20.542 -7.756 -4.369 1.00 0.00 H new ATOM 294 N ASN A 22 -17.607 -8.486 -10.568 1.00 0.00 N ATOM 295 CA ASN A 22 -17.008 -8.155 -11.856 1.00 0.00 C ATOM 296 C ASN A 22 -15.630 -8.796 -11.994 1.00 0.00 C ATOM 297 O ASN A 22 -14.827 -8.391 -12.835 1.00 0.00 O ATOM 298 CB ASN A 22 -16.895 -6.637 -12.015 1.00 0.00 C ATOM 299 CG ASN A 22 -16.111 -6.242 -13.251 1.00 0.00 C ATOM 300 OD1 ASN A 22 -16.438 -6.652 -14.365 1.00 0.00 O ATOM 301 ND2 ASN A 22 -15.069 -5.442 -13.060 1.00 0.00 N ATOM 0 H ASN A 22 -17.122 -8.090 -9.763 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.654 -8.548 -12.641 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.894 -6.205 -12.068 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.413 -6.217 -11.132 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.503 -5.143 -13.854 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.834 -5.126 -12.119 1.00 0.00 H new ATOM 308 N CYS A 23 -15.363 -9.798 -11.164 1.00 0.00 N ATOM 309 CA CYS A 23 -14.083 -10.496 -11.193 1.00 0.00 C ATOM 310 C CYS A 23 -13.902 -11.245 -12.510 1.00 0.00 C ATOM 311 O CYS A 23 -14.809 -11.919 -13.000 1.00 0.00 O ATOM 312 CB CYS A 23 -13.985 -11.473 -10.020 1.00 0.00 C ATOM 313 SG CYS A 23 -12.388 -12.343 -9.909 1.00 0.00 S ATOM 0 H CYS A 23 -16.016 -10.145 -10.462 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.290 -9.753 -11.106 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.155 -10.928 -9.092 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.783 -12.210 -10.107 1.00 0.00 H new ATOM 318 N PRO A 24 -12.702 -11.127 -13.098 1.00 0.00 N ATOM 319 CA PRO A 24 -12.373 -11.787 -14.365 1.00 0.00 C ATOM 320 C PRO A 24 -12.261 -13.301 -14.218 1.00 0.00 C ATOM 321 O PRO A 24 -12.835 -14.055 -15.004 1.00 0.00 O ATOM 322 CB PRO A 24 -11.016 -11.184 -14.736 1.00 0.00 C ATOM 323 CG PRO A 24 -10.420 -10.762 -13.437 1.00 0.00 C ATOM 324 CD PRO A 24 -11.574 -10.341 -12.570 1.00 0.00 C ATOM 0 HA PRO A 24 -13.145 -11.631 -15.119 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.384 -11.913 -15.243 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.131 -10.337 -15.412 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.865 -11.580 -12.978 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.718 -9.940 -13.578 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.388 -10.561 -11.519 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.762 -9.270 -12.643 1.00 0.00 H new ATOM 332 N THR A 25 -11.519 -13.740 -13.206 1.00 0.00 N ATOM 333 CA THR A 25 -11.332 -15.164 -12.957 1.00 0.00 C ATOM 334 C THR A 25 -12.632 -15.933 -13.162 1.00 0.00 C ATOM 335 O THR A 25 -12.617 -17.118 -13.491 1.00 0.00 O ATOM 336 CB THR A 25 -10.815 -15.421 -11.529 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.811 -15.043 -10.572 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.534 -14.643 -11.269 1.00 0.00 C ATOM 0 H THR A 25 -11.038 -13.130 -12.546 1.00 0.00 H new ATOM 0 HA THR A 25 -10.589 -15.516 -13.673 1.00 0.00 H new ATOM 0 HB THR A 25 -10.602 -16.485 -11.430 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.684 -14.104 -10.321 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.188 -14.840 -10.254 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.769 -14.954 -11.980 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.726 -13.576 -11.386 1.00 0.00 H new ATOM 346 N ASN A 26 -13.755 -15.250 -12.965 1.00 0.00 N ATOM 347 CA ASN A 26 -15.065 -15.871 -13.128 1.00 0.00 C ATOM 348 C ASN A 26 -15.121 -16.696 -14.410 1.00 0.00 C ATOM 349 O ASN A 26 -15.298 -17.912 -14.371 1.00 0.00 O ATOM 350 CB ASN A 26 -16.160 -14.802 -13.147 1.00 0.00 C ATOM 351 CG ASN A 26 -16.709 -14.511 -11.764 1.00 0.00 C ATOM 352 OD1 ASN A 26 -17.439 -15.320 -11.191 1.00 0.00 O ATOM 353 ND2 ASN A 26 -16.359 -13.351 -11.221 1.00 0.00 N ATOM 0 H ASN A 26 -13.785 -14.267 -12.693 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.231 -16.537 -12.282 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.760 -13.884 -13.576 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -16.972 -15.130 -13.796 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.697 -13.100 -10.292 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.752 -12.711 -11.733 1.00 0.00 H new ATOM 360 N GLY A 27 -14.967 -16.023 -15.547 1.00 0.00 N ATOM 361 CA GLY A 27 -15.003 -16.709 -16.825 1.00 0.00 C ATOM 362 C GLY A 27 -13.625 -17.131 -17.295 1.00 0.00 C ATOM 363 O GLY A 27 -13.246 -16.878 -18.439 1.00 0.00 O ATOM 0 H GLY A 27 -14.818 -15.016 -15.605 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.641 -17.589 -16.744 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.454 -16.056 -17.572 1.00 0.00 H new ATOM 367 N ASP A 28 -12.872 -17.776 -16.410 1.00 0.00 N ATOM 368 CA ASP A 28 -11.527 -18.233 -16.740 1.00 0.00 C ATOM 369 C ASP A 28 -11.210 -19.546 -16.031 1.00 0.00 C ATOM 370 O ASP A 28 -11.990 -20.023 -15.206 1.00 0.00 O ATOM 371 CB ASP A 28 -10.495 -17.171 -16.358 1.00 0.00 C ATOM 372 CG ASP A 28 -10.250 -16.174 -17.474 1.00 0.00 C ATOM 373 OD1 ASP A 28 -11.183 -15.413 -17.804 1.00 0.00 O ATOM 374 OD2 ASP A 28 -9.126 -16.156 -18.017 1.00 0.00 O ATOM 0 H ASP A 28 -13.170 -17.994 -15.459 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.482 -18.401 -17.816 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.836 -16.640 -15.469 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.556 -17.659 -16.097 1.00 0.00 H new ATOM 379 N LYS A 29 -10.060 -20.127 -16.357 1.00 0.00 N ATOM 380 CA LYS A 29 -9.639 -21.385 -15.752 1.00 0.00 C ATOM 381 C LYS A 29 -9.674 -21.294 -14.229 1.00 0.00 C ATOM 382 O LYS A 29 -9.974 -20.242 -13.668 1.00 0.00 O ATOM 383 CB LYS A 29 -8.229 -21.752 -16.219 1.00 0.00 C ATOM 384 CG LYS A 29 -8.167 -22.206 -17.667 1.00 0.00 C ATOM 385 CD LYS A 29 -8.815 -23.568 -17.853 1.00 0.00 C ATOM 386 CE LYS A 29 -8.966 -23.917 -19.325 1.00 0.00 C ATOM 387 NZ LYS A 29 -9.730 -25.180 -19.520 1.00 0.00 N ATOM 0 H LYS A 29 -9.403 -19.746 -17.037 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.334 -22.163 -16.069 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.576 -20.889 -16.089 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.839 -22.545 -15.581 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.668 -21.474 -18.300 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.127 -22.249 -17.991 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.213 -24.329 -17.357 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.794 -23.575 -17.374 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.474 -23.102 -19.841 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.979 -24.016 -19.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.811 -25.383 -20.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.233 -25.963 -19.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.680 -25.078 -19.111 1.00 0.00 H new ATOM 401 N ASN A 30 -9.365 -22.405 -13.568 1.00 0.00 N ATOM 402 CA ASN A 30 -9.360 -22.450 -12.110 1.00 0.00 C ATOM 403 C ASN A 30 -8.299 -21.514 -11.540 1.00 0.00 C ATOM 404 O ASN A 30 -8.345 -21.148 -10.365 1.00 0.00 O ATOM 405 CB ASN A 30 -9.109 -23.879 -11.625 1.00 0.00 C ATOM 406 CG ASN A 30 -10.296 -24.791 -11.873 1.00 0.00 C ATOM 407 OD1 ASN A 30 -11.190 -24.907 -11.035 1.00 0.00 O ATOM 408 ND2 ASN A 30 -10.308 -25.443 -13.030 1.00 0.00 N ATOM 0 H ASN A 30 -9.115 -23.285 -14.018 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.337 -22.119 -11.758 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.232 -24.283 -12.131 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.883 -23.863 -10.559 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.080 -26.071 -13.254 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.545 -25.316 -13.695 1.00 0.00 H new ATOM 415 N PHE A 31 -7.344 -21.129 -12.381 1.00 0.00 N ATOM 416 CA PHE A 31 -6.271 -20.236 -11.961 1.00 0.00 C ATOM 417 C PHE A 31 -5.723 -20.647 -10.597 1.00 0.00 C ATOM 418 O PHE A 31 -5.289 -19.804 -9.813 1.00 0.00 O ATOM 419 CB PHE A 31 -6.773 -18.791 -11.907 1.00 0.00 C ATOM 420 CG PHE A 31 -7.701 -18.522 -10.757 1.00 0.00 C ATOM 421 CD1 PHE A 31 -9.059 -18.769 -10.873 1.00 0.00 C ATOM 422 CD2 PHE A 31 -7.215 -18.021 -9.560 1.00 0.00 C ATOM 423 CE1 PHE A 31 -9.915 -18.521 -9.817 1.00 0.00 C ATOM 424 CE2 PHE A 31 -8.066 -17.772 -8.500 1.00 0.00 C ATOM 425 CZ PHE A 31 -9.418 -18.023 -8.629 1.00 0.00 C ATOM 0 H PHE A 31 -7.292 -21.422 -13.357 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.466 -20.307 -12.693 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.917 -18.120 -11.838 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.286 -18.558 -12.840 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.453 -19.160 -11.799 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.159 -17.823 -9.454 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.972 -18.717 -9.921 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.674 -17.382 -7.572 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.085 -17.830 -7.802 1.00 0.00 H new ATOM 435 N GLU A 32 -5.748 -21.947 -10.324 1.00 0.00 N ATOM 436 CA GLU A 32 -5.255 -22.470 -9.055 1.00 0.00 C ATOM 437 C GLU A 32 -3.731 -22.423 -9.002 1.00 0.00 C ATOM 438 O GLU A 32 -3.145 -22.032 -7.993 1.00 0.00 O ATOM 439 CB GLU A 32 -5.740 -23.906 -8.847 1.00 0.00 C ATOM 440 CG GLU A 32 -5.405 -24.469 -7.475 1.00 0.00 C ATOM 441 CD GLU A 32 -5.262 -25.978 -7.483 1.00 0.00 C ATOM 442 OE1 GLU A 32 -5.962 -26.637 -8.280 1.00 0.00 O ATOM 443 OE2 GLU A 32 -4.449 -26.501 -6.692 1.00 0.00 O ATOM 0 H GLU A 32 -6.104 -22.657 -10.964 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.648 -21.842 -8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.820 -23.940 -8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.296 -24.545 -9.611 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.477 -24.022 -7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.186 -24.186 -6.769 1.00 0.00 H new ATOM 450 N SER A 33 -3.094 -22.826 -10.098 1.00 0.00 N ATOM 451 CA SER A 33 -1.638 -22.834 -10.176 1.00 0.00 C ATOM 452 C SER A 33 -1.139 -21.746 -11.121 1.00 0.00 C ATOM 453 O SER A 33 -1.840 -21.342 -12.047 1.00 0.00 O ATOM 454 CB SER A 33 -1.140 -24.202 -10.647 1.00 0.00 C ATOM 455 OG SER A 33 0.139 -24.492 -10.109 1.00 0.00 O ATOM 0 H SER A 33 -3.564 -23.151 -10.943 1.00 0.00 H new ATOM 0 HA SER A 33 -1.244 -22.634 -9.180 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.848 -24.974 -10.346 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.093 -24.220 -11.736 1.00 0.00 H new ATOM 0 HG SER A 33 0.434 -25.372 -10.423 1.00 0.00 H new ATOM 461 N GLY A 34 0.081 -21.275 -10.879 1.00 0.00 N ATOM 462 CA GLY A 34 0.655 -20.237 -11.716 1.00 0.00 C ATOM 463 C GLY A 34 1.431 -20.802 -12.889 1.00 0.00 C ATOM 464 O GLY A 34 2.364 -21.588 -12.724 1.00 0.00 O ATOM 0 H GLY A 34 0.682 -21.594 -10.119 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.141 -19.592 -12.088 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.315 -19.613 -11.114 1.00 0.00 H new ATOM 468 N PRO A 35 1.043 -20.399 -14.108 1.00 0.00 N ATOM 469 CA PRO A 35 1.695 -20.859 -15.338 1.00 0.00 C ATOM 470 C PRO A 35 3.103 -20.296 -15.493 1.00 0.00 C ATOM 471 O PRO A 35 3.773 -20.541 -16.497 1.00 0.00 O ATOM 472 CB PRO A 35 0.781 -20.326 -16.445 1.00 0.00 C ATOM 473 CG PRO A 35 0.104 -19.145 -15.840 1.00 0.00 C ATOM 474 CD PRO A 35 -0.062 -19.464 -14.380 1.00 0.00 C ATOM 0 HA PRO A 35 1.819 -21.942 -15.353 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.353 -20.045 -17.329 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.058 -21.079 -16.759 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.699 -18.242 -15.977 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.862 -18.965 -16.312 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.008 -18.569 -13.762 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.032 -19.917 -14.175 1.00 0.00 H new ATOM 482 N ARG A 36 3.547 -19.541 -14.493 1.00 0.00 N ATOM 483 CA ARG A 36 4.876 -18.943 -14.520 1.00 0.00 C ATOM 484 C ARG A 36 5.953 -19.999 -14.283 1.00 0.00 C ATOM 485 O ARG A 36 5.825 -20.841 -13.394 1.00 0.00 O ATOM 486 CB ARG A 36 4.985 -17.843 -13.462 1.00 0.00 C ATOM 487 CG ARG A 36 3.946 -16.744 -13.617 1.00 0.00 C ATOM 488 CD ARG A 36 4.353 -15.741 -14.685 1.00 0.00 C ATOM 489 NE ARG A 36 5.371 -14.811 -14.203 1.00 0.00 N ATOM 490 CZ ARG A 36 5.885 -13.836 -14.944 1.00 0.00 C ATOM 491 NH1 ARG A 36 5.479 -13.664 -16.195 1.00 0.00 N ATOM 492 NH2 ARG A 36 6.808 -13.030 -14.434 1.00 0.00 N ATOM 0 H ARG A 36 3.006 -19.329 -13.655 1.00 0.00 H new ATOM 0 HA ARG A 36 5.030 -18.506 -15.507 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.884 -18.290 -12.473 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.980 -17.400 -13.511 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.984 -17.185 -13.878 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.813 -16.230 -12.665 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.732 -16.274 -15.557 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.476 -15.182 -15.010 1.00 0.00 H new ATOM 0 HE ARG A 36 5.705 -14.916 -13.245 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.770 -14.281 -16.591 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.876 -12.914 -16.761 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.123 -13.159 -13.472 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.202 -12.281 -15.004 1.00 0.00 H new ATOM 506 N ILE A 37 7.011 -19.947 -15.085 1.00 0.00 N ATOM 507 CA ILE A 37 8.109 -20.898 -14.962 1.00 0.00 C ATOM 508 C ILE A 37 9.141 -20.418 -13.948 1.00 0.00 C ATOM 509 O ILE A 37 9.839 -21.221 -13.328 1.00 0.00 O ATOM 510 CB ILE A 37 8.805 -21.131 -16.316 1.00 0.00 C ATOM 511 CG1 ILE A 37 9.895 -22.196 -16.177 1.00 0.00 C ATOM 512 CG2 ILE A 37 9.393 -19.830 -16.840 1.00 0.00 C ATOM 513 CD1 ILE A 37 10.480 -22.639 -17.499 1.00 0.00 C ATOM 0 H ILE A 37 7.131 -19.257 -15.826 1.00 0.00 H new ATOM 0 HA ILE A 37 7.676 -21.838 -14.618 1.00 0.00 H new ATOM 0 HB ILE A 37 8.064 -21.487 -17.032 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.695 -21.805 -15.548 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.480 -23.064 -15.664 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.881 -20.011 -17.797 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.596 -19.098 -16.972 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.123 -19.447 -16.127 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.246 -23.394 -17.323 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.692 -23.060 -18.123 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.925 -21.782 -18.005 1.00 0.00 H new ATOM 525 N LYS A 38 9.232 -19.103 -13.782 1.00 0.00 N ATOM 526 CA LYS A 38 10.177 -18.514 -12.841 1.00 0.00 C ATOM 527 C LYS A 38 9.888 -18.979 -11.417 1.00 0.00 C ATOM 528 O LYS A 38 10.802 -19.334 -10.671 1.00 0.00 O ATOM 529 CB LYS A 38 10.114 -16.986 -12.912 1.00 0.00 C ATOM 530 CG LYS A 38 11.074 -16.384 -13.924 1.00 0.00 C ATOM 531 CD LYS A 38 10.491 -16.406 -15.327 1.00 0.00 C ATOM 532 CE LYS A 38 9.544 -15.238 -15.555 1.00 0.00 C ATOM 533 NZ LYS A 38 8.771 -15.389 -16.819 1.00 0.00 N ATOM 0 H LYS A 38 8.662 -18.424 -14.287 1.00 0.00 H new ATOM 0 HA LYS A 38 11.179 -18.844 -13.116 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.097 -16.684 -13.164 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.334 -16.575 -11.926 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.305 -15.357 -13.641 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.013 -16.938 -13.910 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.298 -16.369 -16.058 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.959 -17.344 -15.486 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.854 -15.160 -14.715 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.114 -14.309 -15.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.137 -14.573 -16.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.428 -15.438 -17.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.207 -16.262 -16.779 1.00 0.00 H new ATOM 547 N LYS A 39 8.613 -18.976 -11.046 1.00 0.00 N ATOM 548 CA LYS A 39 8.202 -19.400 -9.713 1.00 0.00 C ATOM 549 C LYS A 39 6.911 -20.209 -9.773 1.00 0.00 C ATOM 550 O LYS A 39 6.045 -19.954 -10.610 1.00 0.00 O ATOM 551 CB LYS A 39 8.013 -18.184 -8.804 1.00 0.00 C ATOM 552 CG LYS A 39 7.757 -18.544 -7.350 1.00 0.00 C ATOM 553 CD LYS A 39 9.045 -18.566 -6.546 1.00 0.00 C ATOM 554 CE LYS A 39 9.642 -19.964 -6.488 1.00 0.00 C ATOM 555 NZ LYS A 39 11.024 -19.954 -5.933 1.00 0.00 N ATOM 0 H LYS A 39 7.845 -18.684 -11.651 1.00 0.00 H new ATOM 0 HA LYS A 39 8.988 -20.034 -9.302 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.902 -17.556 -8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.178 -17.590 -9.175 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.066 -17.824 -6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.276 -19.521 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.765 -17.880 -6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.850 -18.210 -5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.009 -20.604 -5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.656 -20.395 -7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.396 -20.925 -5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.635 -19.364 -6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.008 -19.566 -4.968 1.00 0.00 H new ATOM 569 N SER A 40 6.787 -21.185 -8.878 1.00 0.00 N ATOM 570 CA SER A 40 5.601 -22.033 -8.832 1.00 0.00 C ATOM 571 C SER A 40 4.847 -21.840 -7.519 1.00 0.00 C ATOM 572 O SER A 40 5.416 -21.399 -6.521 1.00 0.00 O ATOM 573 CB SER A 40 5.992 -23.502 -8.997 1.00 0.00 C ATOM 574 OG SER A 40 4.862 -24.299 -9.307 1.00 0.00 O ATOM 0 H SER A 40 7.493 -21.408 -8.176 1.00 0.00 H new ATOM 0 HA SER A 40 4.946 -21.745 -9.654 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.736 -23.597 -9.788 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.455 -23.864 -8.079 1.00 0.00 H new ATOM 0 HG SER A 40 5.139 -25.234 -9.409 1.00 0.00 H new ATOM 580 N THR A 41 3.560 -22.174 -7.529 1.00 0.00 N ATOM 581 CA THR A 41 2.726 -22.038 -6.342 1.00 0.00 C ATOM 582 C THR A 41 2.935 -23.206 -5.386 1.00 0.00 C ATOM 583 O THR A 41 3.290 -23.014 -4.223 1.00 0.00 O ATOM 584 CB THR A 41 1.233 -21.952 -6.711 1.00 0.00 C ATOM 585 OG1 THR A 41 1.034 -20.956 -7.720 1.00 0.00 O ATOM 586 CG2 THR A 41 0.392 -21.618 -5.488 1.00 0.00 C ATOM 0 H THR A 41 3.073 -22.541 -8.347 1.00 0.00 H new ATOM 0 HA THR A 41 3.025 -21.112 -5.851 1.00 0.00 H new ATOM 0 HB THR A 41 0.919 -22.923 -7.094 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.083 -20.909 -7.950 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.659 -21.563 -5.773 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.523 -22.394 -4.734 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.708 -20.658 -5.080 1.00 0.00 H new ATOM 594 N GLY A 42 2.714 -24.419 -5.883 1.00 0.00 N ATOM 595 CA GLY A 42 2.884 -25.601 -5.059 1.00 0.00 C ATOM 596 C GLY A 42 2.668 -26.885 -5.835 1.00 0.00 C ATOM 597 O GLY A 42 2.323 -26.854 -7.016 1.00 0.00 O ATOM 0 H GLY A 42 2.420 -24.604 -6.842 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.887 -25.602 -4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.184 -25.562 -4.225 1.00 0.00 H new ATOM 601 N ILE A 43 2.874 -28.018 -5.171 1.00 0.00 N ATOM 602 CA ILE A 43 2.700 -29.318 -5.807 1.00 0.00 C ATOM 603 C ILE A 43 1.508 -30.063 -5.217 1.00 0.00 C ATOM 604 O ILE A 43 1.172 -29.917 -4.042 1.00 0.00 O ATOM 605 CB ILE A 43 3.961 -30.190 -5.658 1.00 0.00 C ATOM 606 CG1 ILE A 43 4.300 -30.387 -4.179 1.00 0.00 C ATOM 607 CG2 ILE A 43 5.132 -29.559 -6.396 1.00 0.00 C ATOM 608 CD1 ILE A 43 3.384 -31.364 -3.474 1.00 0.00 C ATOM 0 H ILE A 43 3.161 -28.062 -4.193 1.00 0.00 H new ATOM 0 HA ILE A 43 2.520 -29.131 -6.866 1.00 0.00 H new ATOM 0 HB ILE A 43 3.763 -31.167 -6.099 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.328 -30.739 -4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.250 -29.424 -3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.015 -30.187 -6.281 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.888 -29.466 -7.454 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.333 -28.571 -5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.683 -31.454 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.357 -31.003 -3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.452 -32.339 -3.956 1.00 0.00 H new ATOM 620 N PRO A 44 0.852 -30.884 -6.051 1.00 0.00 N ATOM 621 CA PRO A 44 -0.312 -31.671 -5.634 1.00 0.00 C ATOM 622 C PRO A 44 0.060 -32.791 -4.668 1.00 0.00 C ATOM 623 O PRO A 44 0.080 -32.594 -3.453 1.00 0.00 O ATOM 624 CB PRO A 44 -0.837 -32.252 -6.949 1.00 0.00 C ATOM 625 CG PRO A 44 0.351 -32.290 -7.848 1.00 0.00 C ATOM 626 CD PRO A 44 1.197 -31.107 -7.465 1.00 0.00 C ATOM 0 HA PRO A 44 -1.042 -31.065 -5.098 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.255 -33.248 -6.803 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.630 -31.632 -7.367 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.904 -33.221 -7.725 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.051 -32.233 -8.894 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.259 -31.315 -7.591 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.968 -30.234 -8.077 1.00 0.00 H new ATOM 634 N ARG A 45 0.356 -33.965 -5.217 1.00 0.00 N ATOM 635 CA ARG A 45 0.727 -35.116 -4.403 1.00 0.00 C ATOM 636 C ARG A 45 2.185 -35.500 -4.638 1.00 0.00 C ATOM 637 O ARG A 45 2.697 -36.438 -4.027 1.00 0.00 O ATOM 638 CB ARG A 45 -0.182 -36.305 -4.719 1.00 0.00 C ATOM 639 CG ARG A 45 -0.461 -36.481 -6.203 1.00 0.00 C ATOM 640 CD ARG A 45 -1.538 -37.526 -6.447 1.00 0.00 C ATOM 641 NE ARG A 45 -2.881 -36.963 -6.339 1.00 0.00 N ATOM 642 CZ ARG A 45 -3.905 -37.355 -7.089 1.00 0.00 C ATOM 643 NH1 ARG A 45 -3.739 -38.308 -7.997 1.00 0.00 N ATOM 644 NH2 ARG A 45 -5.097 -36.795 -6.932 1.00 0.00 N ATOM 0 H ARG A 45 0.346 -34.144 -6.221 1.00 0.00 H new ATOM 0 HA ARG A 45 0.605 -34.843 -3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.278 -37.215 -4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.128 -36.178 -4.193 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.773 -35.528 -6.631 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.456 -36.775 -6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.405 -37.959 -7.438 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.426 -38.337 -5.727 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.042 -36.228 -5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.824 -38.741 -8.120 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.527 -38.608 -8.572 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.228 -36.062 -6.235 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.882 -37.097 -7.509 1.00 0.00 H new ATOM 658 N SER A 46 2.849 -34.768 -5.527 1.00 0.00 N ATOM 659 CA SER A 46 4.247 -35.034 -5.846 1.00 0.00 C ATOM 660 C SER A 46 5.018 -35.453 -4.598 1.00 0.00 C ATOM 661 O SER A 46 5.845 -36.365 -4.643 1.00 0.00 O ATOM 662 CB SER A 46 4.895 -33.795 -6.468 1.00 0.00 C ATOM 663 OG SER A 46 4.173 -33.360 -7.607 1.00 0.00 O ATOM 0 H SER A 46 2.441 -33.986 -6.039 1.00 0.00 H new ATOM 0 HA SER A 46 4.281 -35.852 -6.565 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.935 -32.993 -5.731 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.923 -34.021 -6.750 1.00 0.00 H new ATOM 0 HG SER A 46 4.606 -32.566 -7.985 1.00 0.00 H new ATOM 669 N PHE A 47 4.742 -34.781 -3.486 1.00 0.00 N ATOM 670 CA PHE A 47 5.410 -35.082 -2.225 1.00 0.00 C ATOM 671 C PHE A 47 4.466 -35.804 -1.268 1.00 0.00 C ATOM 672 O PHE A 47 3.437 -35.261 -0.868 1.00 0.00 O ATOM 673 CB PHE A 47 5.925 -33.795 -1.577 1.00 0.00 C ATOM 674 CG PHE A 47 6.625 -34.023 -0.267 1.00 0.00 C ATOM 675 CD1 PHE A 47 5.905 -34.095 0.915 1.00 0.00 C ATOM 676 CD2 PHE A 47 8.003 -34.163 -0.218 1.00 0.00 C ATOM 677 CE1 PHE A 47 6.546 -34.304 2.121 1.00 0.00 C ATOM 678 CE2 PHE A 47 8.649 -34.373 0.986 1.00 0.00 C ATOM 679 CZ PHE A 47 7.920 -34.443 2.157 1.00 0.00 C ATOM 0 H PHE A 47 4.060 -34.024 -3.432 1.00 0.00 H new ATOM 0 HA PHE A 47 6.255 -35.737 -2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.610 -33.300 -2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.087 -33.116 -1.419 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.831 -33.987 0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.578 -34.107 -1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.973 -34.359 3.035 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.723 -34.482 1.011 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.423 -34.606 3.099 1.00 0.00 H new ATOM 689 N MET A 48 4.825 -37.032 -0.907 1.00 0.00 N ATOM 690 CA MET A 48 4.010 -37.829 0.003 1.00 0.00 C ATOM 691 C MET A 48 4.889 -38.649 0.942 1.00 0.00 C ATOM 692 O MET A 48 5.878 -39.247 0.517 1.00 0.00 O ATOM 693 CB MET A 48 3.083 -38.755 -0.786 1.00 0.00 C ATOM 694 CG MET A 48 3.821 -39.724 -1.695 1.00 0.00 C ATOM 695 SD MET A 48 4.229 -41.275 -0.870 1.00 0.00 S ATOM 696 CE MET A 48 5.027 -42.166 -2.203 1.00 0.00 C ATOM 0 H MET A 48 5.674 -37.496 -1.230 1.00 0.00 H new ATOM 0 HA MET A 48 3.406 -37.147 0.602 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.469 -39.322 -0.087 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.405 -38.150 -1.388 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.207 -39.933 -2.571 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.738 -39.255 -2.052 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.338 -43.149 -1.849 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.329 -42.283 -3.032 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.901 -41.609 -2.541 1.00 0.00 H new ATOM 706 N MET A 49 4.522 -38.674 2.219 1.00 0.00 N ATOM 707 CA MET A 49 5.277 -39.423 3.217 1.00 0.00 C ATOM 708 C MET A 49 4.365 -40.370 3.991 1.00 0.00 C ATOM 709 O MET A 49 3.600 -39.941 4.854 1.00 0.00 O ATOM 710 CB MET A 49 5.975 -38.465 4.183 1.00 0.00 C ATOM 711 CG MET A 49 6.840 -39.168 5.217 1.00 0.00 C ATOM 712 SD MET A 49 7.227 -38.117 6.630 1.00 0.00 S ATOM 713 CE MET A 49 9.012 -38.037 6.514 1.00 0.00 C ATOM 0 H MET A 49 3.707 -38.184 2.587 1.00 0.00 H new ATOM 0 HA MET A 49 6.030 -40.016 2.698 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.595 -37.774 3.612 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.222 -37.868 4.697 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.327 -40.064 5.566 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.768 -39.495 4.747 1.00 0.00 H new ATOM 0 HE1 MET A 49 9.402 -37.420 7.323 1.00 0.00 H new ATOM 0 HE2 MET A 49 9.427 -39.042 6.592 1.00 0.00 H new ATOM 0 HE3 MET A 49 9.295 -37.601 5.556 1.00 0.00 H new ATOM 723 N GLU A 50 4.453 -41.658 3.676 1.00 0.00 N ATOM 724 CA GLU A 50 3.634 -42.664 4.342 1.00 0.00 C ATOM 725 C GLU A 50 4.381 -43.279 5.522 1.00 0.00 C ATOM 726 O GLU A 50 3.942 -44.275 6.098 1.00 0.00 O ATOM 727 CB GLU A 50 3.228 -43.760 3.354 1.00 0.00 C ATOM 728 CG GLU A 50 2.055 -44.602 3.826 1.00 0.00 C ATOM 729 CD GLU A 50 1.438 -45.421 2.710 1.00 0.00 C ATOM 730 OE1 GLU A 50 2.175 -46.195 2.064 1.00 0.00 O ATOM 731 OE2 GLU A 50 0.217 -45.289 2.482 1.00 0.00 O ATOM 0 H GLU A 50 5.082 -42.029 2.965 1.00 0.00 H new ATOM 0 HA GLU A 50 2.736 -42.174 4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.973 -43.300 2.399 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.083 -44.412 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.389 -45.270 4.620 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.295 -43.950 4.256 1.00 0.00 H new ATOM 738 N VAL A 51 5.513 -42.679 5.876 1.00 0.00 N ATOM 739 CA VAL A 51 6.321 -43.166 6.987 1.00 0.00 C ATOM 740 C VAL A 51 6.674 -44.638 6.806 1.00 0.00 C ATOM 741 O VAL A 51 6.631 -45.420 7.756 1.00 0.00 O ATOM 742 CB VAL A 51 5.594 -42.986 8.332 1.00 0.00 C ATOM 743 CG1 VAL A 51 6.508 -43.361 9.489 1.00 0.00 C ATOM 744 CG2 VAL A 51 5.093 -41.557 8.479 1.00 0.00 C ATOM 0 H VAL A 51 5.891 -41.855 5.409 1.00 0.00 H new ATOM 0 HA VAL A 51 7.236 -42.574 6.995 1.00 0.00 H new ATOM 0 HB VAL A 51 4.732 -43.653 8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.976 -43.227 10.431 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.813 -44.403 9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.391 -42.722 9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.582 -41.447 9.435 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.938 -40.869 8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.400 -41.329 7.669 1.00 0.00 H new ATOM 754 N LYS A 52 7.024 -45.011 5.580 1.00 0.00 N ATOM 755 CA LYS A 52 7.387 -46.389 5.272 1.00 0.00 C ATOM 756 C LYS A 52 8.192 -46.464 3.978 1.00 0.00 C ATOM 757 O LYS A 52 8.183 -45.531 3.176 1.00 0.00 O ATOM 758 CB LYS A 52 6.130 -47.254 5.154 1.00 0.00 C ATOM 759 CG LYS A 52 5.255 -46.897 3.965 1.00 0.00 C ATOM 760 CD LYS A 52 5.652 -47.680 2.725 1.00 0.00 C ATOM 761 CE LYS A 52 4.926 -49.014 2.652 1.00 0.00 C ATOM 762 NZ LYS A 52 5.660 -50.087 3.379 1.00 0.00 N ATOM 0 H LYS A 52 7.064 -44.377 4.782 1.00 0.00 H new ATOM 0 HA LYS A 52 8.006 -46.766 6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.425 -48.300 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.544 -47.155 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.212 -47.100 4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.333 -45.829 3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.426 -47.093 1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.729 -47.850 2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.927 -48.907 3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.801 -49.303 1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.430 -51.010 2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.684 -49.918 3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.379 -50.083 4.380 1.00 0.00 H new ATOM 776 N ASP A 53 8.885 -47.580 3.783 1.00 0.00 N ATOM 777 CA ASP A 53 9.693 -47.778 2.585 1.00 0.00 C ATOM 778 C ASP A 53 8.808 -47.959 1.356 1.00 0.00 C ATOM 779 O ASP A 53 7.994 -48.880 1.277 1.00 0.00 O ATOM 780 CB ASP A 53 10.606 -48.993 2.755 1.00 0.00 C ATOM 781 CG ASP A 53 11.807 -48.949 1.831 1.00 0.00 C ATOM 782 OD1 ASP A 53 12.236 -47.834 1.468 1.00 0.00 O ATOM 783 OD2 ASP A 53 12.319 -50.030 1.471 1.00 0.00 O ATOM 0 H ASP A 53 8.904 -48.361 4.439 1.00 0.00 H new ATOM 0 HA ASP A 53 10.307 -46.889 2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.948 -49.045 3.789 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.036 -49.902 2.562 1.00 0.00 H new ATOM 788 N PRO A 54 8.968 -47.061 0.373 1.00 0.00 N ATOM 789 CA PRO A 54 8.192 -47.100 -0.870 1.00 0.00 C ATOM 790 C PRO A 54 8.574 -48.282 -1.755 1.00 0.00 C ATOM 791 O PRO A 54 7.714 -48.918 -2.362 1.00 0.00 O ATOM 792 CB PRO A 54 8.553 -45.780 -1.555 1.00 0.00 C ATOM 793 CG PRO A 54 9.895 -45.427 -1.015 1.00 0.00 C ATOM 794 CD PRO A 54 9.920 -45.937 0.399 1.00 0.00 C ATOM 0 HA PRO A 54 7.125 -47.220 -0.681 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.579 -45.891 -2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.820 -45.005 -1.332 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.687 -45.884 -1.609 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.056 -44.349 -1.044 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.918 -46.263 0.691 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.615 -45.168 1.109 1.00 0.00 H new ATOM 802 N ASN A 55 9.870 -48.570 -1.823 1.00 0.00 N ATOM 803 CA ASN A 55 10.366 -49.675 -2.634 1.00 0.00 C ATOM 804 C ASN A 55 9.949 -49.510 -4.092 1.00 0.00 C ATOM 805 O ASN A 55 9.645 -50.505 -4.749 1.00 0.00 O ATOM 806 CB ASN A 55 9.844 -51.008 -2.091 1.00 0.00 C ATOM 807 CG ASN A 55 10.551 -51.429 -0.817 1.00 0.00 C ATOM 808 OD1 ASN A 55 11.780 -51.478 -0.763 1.00 0.00 O ATOM 809 ND2 ASN A 55 9.775 -51.735 0.216 1.00 0.00 N ATOM 0 H ASN A 55 10.595 -48.053 -1.326 1.00 0.00 H new ATOM 0 HA ASN A 55 11.455 -49.670 -2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.774 -50.925 -1.899 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.974 -51.781 -2.848 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.193 -52.025 1.100 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.760 -51.680 0.126 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -11.092 -10.895 -8.668 1.00 0.00 ZN