USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot -29:sc= 0.823 USER MOD Set 1.2: A 52 THR OG1 : rot 42:sc= 0.22 USER MOD Set 2.1: A 1 MET N :NH3+ -165:sc= 0.764 (180deg=0.489) USER MOD Set 2.2: A 4 TYR OH : rot 30:sc= 0.0316 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -163:sc= -1.81 (180deg=-2.36) USER MOD Single : A 9 ASN : amide:sc= -0.0948 K(o=-0.095,f=-1.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.217) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -130:sc= 0.0858 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -136:sc= 0.469 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.676 K(o=0.68,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.122 X(o=0.12,f=-0.017) USER MOD Single : A 38 ASN : amide:sc= 1.22 K(o=1.2,f=-0.043) USER MOD Single : A 45 THR OG1 : rot 170:sc= -0.671 USER MOD Single : A 46 TYR OH : rot -137:sc= 0.247 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.118 -0.445 1.098 1.00 0.00 N ATOM 2 CA MET A 1 -14.912 -1.057 -0.228 1.00 0.00 C ATOM 3 C MET A 1 -14.547 -0.005 -1.267 1.00 0.00 C ATOM 4 O MET A 1 -14.858 1.175 -1.083 1.00 0.00 O ATOM 5 CB MET A 1 -16.145 -1.873 -0.661 1.00 0.00 C ATOM 6 CG MET A 1 -15.811 -2.908 -1.744 1.00 0.00 C ATOM 7 SD MET A 1 -16.847 -4.385 -1.678 1.00 0.00 S ATOM 8 CE MET A 1 -15.756 -5.528 -2.571 1.00 0.00 C ATOM 0 H1 MET A 1 -15.113 -1.187 1.827 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.354 0.234 1.289 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.033 0.049 1.114 1.00 0.00 H new ATOM 0 HA MET A 1 -14.072 -1.748 -0.151 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.564 -2.382 0.207 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.913 -1.195 -1.034 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.918 -2.443 -2.724 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.766 -3.203 -1.643 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.229 -6.508 -2.634 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.574 -5.147 -3.576 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.808 -5.616 -2.040 1.00 0.00 H new ATOM 18 N GLY A 2 -13.982 -0.433 -2.397 1.00 0.00 N ATOM 19 CA GLY A 2 -13.560 0.414 -3.506 1.00 0.00 C ATOM 20 C GLY A 2 -12.149 0.063 -3.956 1.00 0.00 C ATOM 21 O GLY A 2 -11.518 -0.826 -3.382 1.00 0.00 O ATOM 0 H GLY A 2 -13.800 -1.422 -2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.251 0.297 -4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.599 1.461 -3.204 1.00 0.00 H new ATOM 25 N THR A 3 -11.670 0.724 -5.007 1.00 0.00 N ATOM 26 CA THR A 3 -10.331 0.504 -5.533 1.00 0.00 C ATOM 27 C THR A 3 -9.358 1.301 -4.672 1.00 0.00 C ATOM 28 O THR A 3 -9.424 2.532 -4.624 1.00 0.00 O ATOM 29 CB THR A 3 -10.213 0.952 -6.994 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.323 0.531 -7.763 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.938 0.414 -7.648 1.00 0.00 C ATOM 0 H THR A 3 -12.203 1.428 -5.517 1.00 0.00 H new ATOM 0 HA THR A 3 -10.105 -0.562 -5.503 1.00 0.00 H new ATOM 0 HB THR A 3 -10.180 2.041 -6.973 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.215 0.836 -8.688 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.889 0.752 -8.683 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.067 0.782 -7.105 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.948 -0.676 -7.623 1.00 0.00 H new ATOM 39 N TYR A 4 -8.495 0.597 -3.958 1.00 0.00 N ATOM 40 CA TYR A 4 -7.474 1.168 -3.098 1.00 0.00 C ATOM 41 C TYR A 4 -6.167 1.203 -3.885 1.00 0.00 C ATOM 42 O TYR A 4 -6.008 0.471 -4.869 1.00 0.00 O ATOM 43 CB TYR A 4 -7.350 0.346 -1.812 1.00 0.00 C ATOM 44 CG TYR A 4 -8.586 0.440 -0.950 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.749 1.566 -0.128 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.597 -0.532 -1.028 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.951 1.762 0.575 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.805 -0.334 -0.342 1.00 0.00 C ATOM 49 CZ TYR A 4 -11.000 0.826 0.433 1.00 0.00 C ATOM 50 OH TYR A 4 -12.217 1.048 1.000 1.00 0.00 O ATOM 0 H TYR A 4 -8.487 -0.423 -3.962 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.736 2.183 -2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.166 -0.698 -2.067 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.487 0.692 -1.244 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.948 2.285 -0.035 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.445 -1.427 -1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -10.071 2.621 1.218 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.589 -1.074 -0.409 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.385 2.012 1.047 1.00 0.00 H new ATOM 60 N LYS A 5 -5.196 1.994 -3.429 1.00 0.00 N ATOM 61 CA LYS A 5 -3.895 2.153 -4.083 1.00 0.00 C ATOM 62 C LYS A 5 -2.766 2.151 -3.071 1.00 0.00 C ATOM 63 O LYS A 5 -2.969 2.546 -1.924 1.00 0.00 O ATOM 64 CB LYS A 5 -3.904 3.437 -4.913 1.00 0.00 C ATOM 65 CG LYS A 5 -2.635 3.699 -5.747 1.00 0.00 C ATOM 66 CD LYS A 5 -2.753 5.103 -6.335 1.00 0.00 C ATOM 67 CE LYS A 5 -1.703 5.429 -7.396 1.00 0.00 C ATOM 68 NZ LYS A 5 -0.585 6.199 -6.829 1.00 0.00 N ATOM 0 H LYS A 5 -5.292 2.552 -2.581 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.721 1.305 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.760 3.407 -5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.057 4.282 -4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.744 3.618 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.538 2.958 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.744 5.219 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.675 5.831 -5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.325 4.504 -7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.165 5.997 -8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.047 6.647 -7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.956 6.933 -6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.040 5.562 -6.294 1.00 0.00 H new ATOM 82 N LEU A 6 -1.605 1.641 -3.469 1.00 0.00 N ATOM 83 CA LEU A 6 -0.418 1.588 -2.634 1.00 0.00 C ATOM 84 C LEU A 6 0.750 2.164 -3.416 1.00 0.00 C ATOM 85 O LEU A 6 0.990 1.737 -4.545 1.00 0.00 O ATOM 86 CB LEU A 6 -0.121 0.142 -2.223 1.00 0.00 C ATOM 87 CG LEU A 6 1.240 -0.056 -1.520 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.247 0.627 -0.147 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.536 -1.556 -1.408 1.00 0.00 C ATOM 0 H LEU A 6 -1.464 1.246 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.578 2.171 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.913 -0.204 -1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.152 -0.489 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 6 2.028 0.411 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.215 0.475 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.068 1.695 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.463 0.197 0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.496 -1.701 -0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.751 -2.039 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.572 -1.995 -2.405 1.00 0.00 H new ATOM 101 N ILE A 7 1.472 3.093 -2.798 1.00 0.00 N ATOM 102 CA ILE A 7 2.657 3.757 -3.322 1.00 0.00 C ATOM 103 C ILE A 7 3.823 3.218 -2.487 1.00 0.00 C ATOM 104 O ILE A 7 3.874 3.412 -1.273 1.00 0.00 O ATOM 105 CB ILE A 7 2.532 5.295 -3.247 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.232 5.769 -3.931 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.771 5.956 -3.884 1.00 0.00 C ATOM 108 CD1 ILE A 7 1.038 7.288 -3.934 1.00 0.00 C ATOM 0 H ILE A 7 1.230 3.421 -1.863 1.00 0.00 H new ATOM 0 HA ILE A 7 2.806 3.548 -4.381 1.00 0.00 H new ATOM 0 HB ILE A 7 2.483 5.596 -2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.226 5.412 -4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.382 5.307 -3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.675 7.040 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.667 5.643 -3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.849 5.653 -4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.101 7.534 -4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.009 7.653 -2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.866 7.760 -4.463 1.00 0.00 H new ATOM 120 N LEU A 8 4.706 2.449 -3.116 1.00 0.00 N ATOM 121 CA LEU A 8 5.881 1.853 -2.507 1.00 0.00 C ATOM 122 C LEU A 8 7.029 2.827 -2.705 1.00 0.00 C ATOM 123 O LEU A 8 7.496 3.013 -3.829 1.00 0.00 O ATOM 124 CB LEU A 8 6.238 0.517 -3.172 1.00 0.00 C ATOM 125 CG LEU A 8 5.169 -0.572 -3.055 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.536 -1.779 -3.922 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.968 -1.054 -1.624 1.00 0.00 C ATOM 0 H LEU A 8 4.615 2.217 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 8 5.689 1.658 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.438 0.697 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.163 0.145 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 8 4.239 -0.118 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.765 -2.543 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.612 -1.469 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.493 -2.186 -3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.198 -1.825 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.903 -1.465 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.659 -0.217 -0.998 1.00 0.00 H new ATOM 139 N ASN A 9 7.467 3.463 -1.627 1.00 0.00 N ATOM 140 CA ASN A 9 8.571 4.421 -1.627 1.00 0.00 C ATOM 141 C ASN A 9 9.741 3.788 -0.884 1.00 0.00 C ATOM 142 O ASN A 9 10.031 4.152 0.256 1.00 0.00 O ATOM 143 CB ASN A 9 8.157 5.751 -0.970 1.00 0.00 C ATOM 144 CG ASN A 9 7.402 6.678 -1.895 1.00 0.00 C ATOM 145 OD1 ASN A 9 7.576 6.652 -3.110 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.603 7.564 -1.340 1.00 0.00 N ATOM 0 H ASN A 9 7.056 3.326 -0.704 1.00 0.00 H new ATOM 0 HA ASN A 9 8.858 4.653 -2.652 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.537 5.538 -0.099 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.050 6.261 -0.609 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.115 8.245 -1.921 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.472 7.569 -0.329 1.00 0.00 H new ATOM 153 N GLY A 10 10.433 2.841 -1.512 1.00 0.00 N ATOM 154 CA GLY A 10 11.560 2.184 -0.877 1.00 0.00 C ATOM 155 C GLY A 10 12.872 2.897 -1.140 1.00 0.00 C ATOM 156 O GLY A 10 13.060 3.555 -2.167 1.00 0.00 O ATOM 0 H GLY A 10 10.230 2.516 -2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.388 2.132 0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.629 1.158 -1.238 1.00 0.00 H new ATOM 160 N LYS A 11 13.820 2.744 -0.210 1.00 0.00 N ATOM 161 CA LYS A 11 15.136 3.372 -0.326 1.00 0.00 C ATOM 162 C LYS A 11 15.918 2.774 -1.482 1.00 0.00 C ATOM 163 O LYS A 11 16.822 3.430 -2.002 1.00 0.00 O ATOM 164 CB LYS A 11 15.965 3.192 0.960 1.00 0.00 C ATOM 165 CG LYS A 11 15.284 3.648 2.254 1.00 0.00 C ATOM 166 CD LYS A 11 14.662 5.044 2.199 1.00 0.00 C ATOM 167 CE LYS A 11 15.670 6.179 2.020 1.00 0.00 C ATOM 168 NZ LYS A 11 14.963 7.470 1.944 1.00 0.00 N ATOM 0 H LYS A 11 13.697 2.187 0.636 1.00 0.00 H new ATOM 0 HA LYS A 11 14.963 4.434 -0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.225 2.138 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.900 3.742 0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.505 2.929 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.017 3.625 3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.946 5.077 1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.101 5.215 3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.373 6.188 2.853 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.253 6.020 1.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.654 8.238 1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.310 7.461 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.426 7.624 2.821 1.00 0.00 H new ATOM 182 N THR A 12 15.572 1.562 -1.900 1.00 0.00 N ATOM 183 CA THR A 12 16.240 0.862 -2.973 1.00 0.00 C ATOM 184 C THR A 12 15.282 0.554 -4.125 1.00 0.00 C ATOM 185 O THR A 12 15.742 0.583 -5.274 1.00 0.00 O ATOM 186 CB THR A 12 16.859 -0.415 -2.389 1.00 0.00 C ATOM 187 OG1 THR A 12 15.816 -1.194 -1.875 1.00 0.00 O ATOM 188 CG2 THR A 12 17.829 -0.175 -1.226 1.00 0.00 C ATOM 0 H THR A 12 14.802 1.034 -1.489 1.00 0.00 H new ATOM 0 HA THR A 12 17.024 1.490 -3.396 1.00 0.00 H new ATOM 0 HB THR A 12 17.419 -0.884 -3.198 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.181 -2.020 -1.495 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.219 -1.130 -0.875 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.654 0.452 -1.564 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.304 0.324 -0.412 1.00 0.00 H new ATOM 196 N LEU A 13 13.989 0.281 -3.865 1.00 0.00 N ATOM 197 CA LEU A 13 13.019 -0.038 -4.920 1.00 0.00 C ATOM 198 C LEU A 13 11.725 0.712 -4.670 1.00 0.00 C ATOM 199 O LEU A 13 11.371 0.921 -3.517 1.00 0.00 O ATOM 200 CB LEU A 13 12.803 -1.556 -4.974 1.00 0.00 C ATOM 201 CG LEU A 13 11.774 -2.030 -6.019 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.119 -1.634 -7.460 1.00 0.00 C ATOM 203 CD2 LEU A 13 11.633 -3.550 -5.920 1.00 0.00 C ATOM 0 H LEU A 13 13.594 0.276 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 13 13.401 0.280 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.759 -2.037 -5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.483 -1.898 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 13 10.835 -1.528 -5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.347 -2.004 -8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.176 -0.548 -7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.080 -2.068 -7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.907 -3.897 -6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.598 -4.018 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.294 -3.820 -4.920 1.00 0.00 H new ATOM 215 N LYS A 14 11.058 1.179 -5.725 1.00 0.00 N ATOM 216 CA LYS A 14 9.802 1.910 -5.618 1.00 0.00 C ATOM 217 C LYS A 14 8.840 1.371 -6.669 1.00 0.00 C ATOM 218 O LYS A 14 9.289 0.896 -7.716 1.00 0.00 O ATOM 219 CB LYS A 14 10.013 3.430 -5.778 1.00 0.00 C ATOM 220 CG LYS A 14 10.957 4.099 -4.768 1.00 0.00 C ATOM 221 CD LYS A 14 12.253 4.663 -5.372 1.00 0.00 C ATOM 222 CE LYS A 14 13.244 3.620 -5.912 1.00 0.00 C ATOM 223 NZ LYS A 14 13.087 3.334 -7.358 1.00 0.00 N ATOM 0 H LYS A 14 11.380 1.058 -6.685 1.00 0.00 H new ATOM 0 HA LYS A 14 9.381 1.761 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.397 3.618 -6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.041 3.919 -5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.421 4.909 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.218 3.372 -3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.989 5.341 -6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.758 5.258 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.260 3.970 -5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.121 2.693 -5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.850 2.330 -7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.324 3.923 -7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.976 3.548 -7.853 1.00 0.00 H new ATOM 237 N GLY A 15 7.541 1.536 -6.452 1.00 0.00 N ATOM 238 CA GLY A 15 6.492 1.077 -7.351 1.00 0.00 C ATOM 239 C GLY A 15 5.115 1.541 -6.888 1.00 0.00 C ATOM 240 O GLY A 15 4.995 2.291 -5.920 1.00 0.00 O ATOM 0 H GLY A 15 7.179 2.006 -5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.684 1.451 -8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.510 -0.011 -7.407 1.00 0.00 H new ATOM 244 N GLU A 16 4.074 1.150 -7.620 1.00 0.00 N ATOM 245 CA GLU A 16 2.677 1.463 -7.346 1.00 0.00 C ATOM 246 C GLU A 16 1.812 0.264 -7.729 1.00 0.00 C ATOM 247 O GLU A 16 2.086 -0.391 -8.744 1.00 0.00 O ATOM 248 CB GLU A 16 2.210 2.693 -8.145 1.00 0.00 C ATOM 249 CG GLU A 16 2.682 3.989 -7.483 1.00 0.00 C ATOM 250 CD GLU A 16 2.050 5.258 -8.058 1.00 0.00 C ATOM 251 OE1 GLU A 16 1.385 5.247 -9.121 1.00 0.00 O ATOM 252 OE2 GLU A 16 2.061 6.279 -7.340 1.00 0.00 O ATOM 0 H GLU A 16 4.189 0.580 -8.458 1.00 0.00 H new ATOM 0 HA GLU A 16 2.579 1.686 -6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.597 2.638 -9.163 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.122 2.693 -8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.462 3.939 -6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.765 4.060 -7.582 1.00 0.00 H new ATOM 259 N THR A 17 0.751 -0.004 -6.964 1.00 0.00 N ATOM 260 CA THR A 17 -0.190 -1.100 -7.196 1.00 0.00 C ATOM 261 C THR A 17 -1.582 -0.662 -6.718 1.00 0.00 C ATOM 262 O THR A 17 -1.717 0.354 -6.024 1.00 0.00 O ATOM 263 CB THR A 17 0.323 -2.410 -6.549 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.420 -3.514 -7.026 1.00 0.00 O ATOM 265 CG2 THR A 17 0.269 -2.416 -5.016 1.00 0.00 C ATOM 0 H THR A 17 0.517 0.553 -6.142 1.00 0.00 H new ATOM 0 HA THR A 17 -0.271 -1.326 -8.259 1.00 0.00 H new ATOM 0 HB THR A 17 1.372 -2.482 -6.836 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.086 -4.337 -6.612 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.645 -3.368 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.884 -1.605 -4.627 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.761 -2.279 -4.688 1.00 0.00 H new ATOM 273 N THR A 18 -2.623 -1.416 -7.073 1.00 0.00 N ATOM 274 CA THR A 18 -4.003 -1.138 -6.708 1.00 0.00 C ATOM 275 C THR A 18 -4.769 -2.432 -6.454 1.00 0.00 C ATOM 276 O THR A 18 -4.471 -3.452 -7.078 1.00 0.00 O ATOM 277 CB THR A 18 -4.703 -0.397 -7.868 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.454 -1.019 -9.123 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.250 1.056 -7.987 1.00 0.00 C ATOM 0 H THR A 18 -2.521 -2.259 -7.638 1.00 0.00 H new ATOM 0 HA THR A 18 -3.996 -0.531 -5.802 1.00 0.00 H new ATOM 0 HB THR A 18 -5.766 -0.437 -7.628 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.915 -0.523 -9.831 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.771 1.533 -8.817 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.479 1.586 -7.062 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.175 1.089 -8.167 1.00 0.00 H new ATOM 287 N THR A 19 -5.722 -2.424 -5.526 1.00 0.00 N ATOM 288 CA THR A 19 -6.542 -3.594 -5.261 1.00 0.00 C ATOM 289 C THR A 19 -7.957 -3.178 -4.849 1.00 0.00 C ATOM 290 O THR A 19 -8.120 -2.200 -4.114 1.00 0.00 O ATOM 291 CB THR A 19 -5.832 -4.525 -4.260 1.00 0.00 C ATOM 292 OG1 THR A 19 -6.399 -5.816 -4.338 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.912 -4.033 -2.812 1.00 0.00 C ATOM 0 H THR A 19 -5.943 -1.615 -4.945 1.00 0.00 H new ATOM 0 HA THR A 19 -6.667 -4.179 -6.172 1.00 0.00 H new ATOM 0 HB THR A 19 -4.778 -4.538 -4.537 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.948 -6.410 -3.703 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.392 -4.735 -2.160 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.444 -3.051 -2.735 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.957 -3.962 -2.509 1.00 0.00 H new ATOM 301 N GLU A 20 -8.990 -3.870 -5.331 1.00 0.00 N ATOM 302 CA GLU A 20 -10.360 -3.581 -4.939 1.00 0.00 C ATOM 303 C GLU A 20 -10.562 -4.467 -3.725 1.00 0.00 C ATOM 304 O GLU A 20 -10.629 -5.691 -3.875 1.00 0.00 O ATOM 305 CB GLU A 20 -11.400 -3.895 -6.017 1.00 0.00 C ATOM 306 CG GLU A 20 -11.126 -3.111 -7.298 1.00 0.00 C ATOM 307 CD GLU A 20 -10.104 -3.776 -8.222 1.00 0.00 C ATOM 308 OE1 GLU A 20 -10.286 -4.959 -8.592 1.00 0.00 O ATOM 309 OE2 GLU A 20 -9.134 -3.120 -8.651 1.00 0.00 O ATOM 0 H GLU A 20 -8.898 -4.637 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.500 -2.516 -4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.391 -4.963 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.396 -3.653 -5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.062 -2.981 -7.841 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.770 -2.115 -7.034 1.00 0.00 H new ATOM 316 N ALA A 21 -10.576 -3.872 -2.536 1.00 0.00 N ATOM 317 CA ALA A 21 -10.746 -4.590 -1.285 1.00 0.00 C ATOM 318 C ALA A 21 -12.091 -4.241 -0.679 1.00 0.00 C ATOM 319 O ALA A 21 -12.632 -3.160 -0.912 1.00 0.00 O ATOM 320 CB ALA A 21 -9.634 -4.208 -0.316 1.00 0.00 C ATOM 0 H ALA A 21 -10.468 -2.865 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.702 -5.662 -1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.766 -4.749 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.668 -4.465 -0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.671 -3.136 -0.124 1.00 0.00 H new ATOM 326 N VAL A 22 -12.589 -5.143 0.157 1.00 0.00 N ATOM 327 CA VAL A 22 -13.863 -5.003 0.838 1.00 0.00 C ATOM 328 C VAL A 22 -13.810 -3.871 1.868 1.00 0.00 C ATOM 329 O VAL A 22 -14.745 -3.079 1.956 1.00 0.00 O ATOM 330 CB VAL A 22 -14.240 -6.370 1.437 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.344 -6.763 2.615 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.712 -6.438 1.841 1.00 0.00 C ATOM 0 H VAL A 22 -12.104 -6.011 0.383 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.649 -4.714 0.140 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.075 -7.095 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.654 -7.735 2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.308 -6.818 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.432 -6.016 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.930 -7.421 2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.920 -5.673 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.338 -6.269 0.965 1.00 0.00 H new ATOM 342 N ASP A 23 -12.712 -3.740 2.611 1.00 0.00 N ATOM 343 CA ASP A 23 -12.540 -2.723 3.633 1.00 0.00 C ATOM 344 C ASP A 23 -11.069 -2.340 3.697 1.00 0.00 C ATOM 345 O ASP A 23 -10.199 -3.038 3.164 1.00 0.00 O ATOM 346 CB ASP A 23 -13.056 -3.237 4.994 1.00 0.00 C ATOM 347 CG ASP A 23 -14.499 -2.794 5.244 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.729 -1.561 5.260 1.00 0.00 O ATOM 349 OD2 ASP A 23 -15.387 -3.650 5.453 1.00 0.00 O ATOM 0 H ASP A 23 -11.903 -4.354 2.513 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.123 -1.837 3.384 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.998 -4.325 5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.415 -2.864 5.793 1.00 0.00 H new ATOM 354 N ALA A 24 -10.791 -1.229 4.379 1.00 0.00 N ATOM 355 CA ALA A 24 -9.465 -0.674 4.556 1.00 0.00 C ATOM 356 C ALA A 24 -8.528 -1.662 5.230 1.00 0.00 C ATOM 357 O ALA A 24 -7.356 -1.719 4.870 1.00 0.00 O ATOM 358 CB ALA A 24 -9.581 0.587 5.410 1.00 0.00 C ATOM 0 H ALA A 24 -11.516 -0.676 4.837 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.048 -0.443 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.591 1.021 5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.224 1.309 4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.011 0.332 6.379 1.00 0.00 H new ATOM 364 N ALA A 25 -9.027 -2.437 6.199 1.00 0.00 N ATOM 365 CA ALA A 25 -8.203 -3.403 6.908 1.00 0.00 C ATOM 366 C ALA A 25 -7.721 -4.475 5.934 1.00 0.00 C ATOM 367 O ALA A 25 -6.539 -4.805 5.877 1.00 0.00 O ATOM 368 CB ALA A 25 -8.990 -4.019 8.064 1.00 0.00 C ATOM 0 H ALA A 25 -9.999 -2.409 6.505 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.331 -2.901 7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.363 -4.741 8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.295 -3.234 8.756 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.875 -4.523 7.674 1.00 0.00 H new ATOM 374 N THR A 26 -8.643 -5.036 5.158 1.00 0.00 N ATOM 375 CA THR A 26 -8.356 -6.052 4.165 1.00 0.00 C ATOM 376 C THR A 26 -7.377 -5.495 3.127 1.00 0.00 C ATOM 377 O THR A 26 -6.417 -6.184 2.767 1.00 0.00 O ATOM 378 CB THR A 26 -9.669 -6.551 3.537 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.769 -6.355 4.414 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.574 -8.043 3.221 1.00 0.00 C ATOM 0 H THR A 26 -9.631 -4.788 5.207 1.00 0.00 H new ATOM 0 HA THR A 26 -7.877 -6.913 4.631 1.00 0.00 H new ATOM 0 HB THR A 26 -9.826 -5.977 2.624 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.278 -7.189 4.491 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.510 -8.381 2.777 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.757 -8.215 2.520 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.386 -8.598 4.140 1.00 0.00 H new ATOM 388 N ALA A 27 -7.582 -4.252 2.675 1.00 0.00 N ATOM 389 CA ALA A 27 -6.708 -3.626 1.697 1.00 0.00 C ATOM 390 C ALA A 27 -5.296 -3.522 2.269 1.00 0.00 C ATOM 391 O ALA A 27 -4.338 -3.963 1.644 1.00 0.00 O ATOM 392 CB ALA A 27 -7.212 -2.219 1.342 1.00 0.00 C ATOM 0 H ALA A 27 -8.356 -3.661 2.980 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.703 -4.238 0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.544 -1.768 0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.217 -2.287 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.234 -1.603 2.241 1.00 0.00 H new ATOM 398 N GLU A 28 -5.184 -2.975 3.480 1.00 0.00 N ATOM 399 CA GLU A 28 -3.940 -2.775 4.206 1.00 0.00 C ATOM 400 C GLU A 28 -3.173 -4.085 4.369 1.00 0.00 C ATOM 401 O GLU A 28 -1.967 -4.130 4.151 1.00 0.00 O ATOM 402 CB GLU A 28 -4.288 -2.124 5.552 1.00 0.00 C ATOM 403 CG GLU A 28 -3.104 -1.996 6.504 1.00 0.00 C ATOM 404 CD GLU A 28 -3.494 -1.175 7.734 1.00 0.00 C ATOM 405 OE1 GLU A 28 -4.016 -1.766 8.708 1.00 0.00 O ATOM 406 OE2 GLU A 28 -3.317 0.070 7.733 1.00 0.00 O ATOM 0 H GLU A 28 -5.997 -2.646 4.000 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.273 -2.117 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.702 -1.133 5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.069 -2.710 6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.768 -2.986 6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.267 -1.520 5.992 1.00 0.00 H new ATOM 413 N LYS A 29 -3.857 -5.172 4.725 1.00 0.00 N ATOM 414 CA LYS A 29 -3.219 -6.471 4.902 1.00 0.00 C ATOM 415 C LYS A 29 -2.640 -6.949 3.579 1.00 0.00 C ATOM 416 O LYS A 29 -1.494 -7.408 3.553 1.00 0.00 O ATOM 417 CB LYS A 29 -4.248 -7.471 5.442 1.00 0.00 C ATOM 418 CG LYS A 29 -4.517 -7.232 6.933 1.00 0.00 C ATOM 419 CD LYS A 29 -5.610 -8.146 7.494 1.00 0.00 C ATOM 420 CE LYS A 29 -6.979 -7.883 6.866 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.057 -8.645 7.525 1.00 0.00 N ATOM 0 H LYS A 29 -4.862 -5.175 4.897 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.402 -6.386 5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.178 -7.379 4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.885 -8.488 5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.595 -7.389 7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.807 -6.192 7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.331 -9.186 7.324 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.677 -8.006 8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.203 -6.818 6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.947 -8.145 5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.964 -8.433 7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.859 -9.663 7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.108 -8.377 8.529 1.00 0.00 H new ATOM 435 N VAL A 30 -3.417 -6.868 2.500 1.00 0.00 N ATOM 436 CA VAL A 30 -2.961 -7.281 1.178 1.00 0.00 C ATOM 437 C VAL A 30 -1.752 -6.435 0.797 1.00 0.00 C ATOM 438 O VAL A 30 -0.727 -6.971 0.380 1.00 0.00 O ATOM 439 CB VAL A 30 -4.123 -7.174 0.171 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.692 -7.184 -1.304 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.058 -8.361 0.415 1.00 0.00 C ATOM 0 H VAL A 30 -4.374 -6.516 2.519 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.647 -8.325 1.174 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.603 -6.210 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.573 -7.105 -1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.029 -6.340 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.168 -8.114 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.894 -8.315 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.511 -9.292 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.436 -8.322 1.437 1.00 0.00 H new ATOM 451 N PHE A 31 -1.836 -5.122 0.988 1.00 0.00 N ATOM 452 CA PHE A 31 -0.755 -4.225 0.662 1.00 0.00 C ATOM 453 C PHE A 31 0.475 -4.517 1.504 1.00 0.00 C ATOM 454 O PHE A 31 1.557 -4.520 0.935 1.00 0.00 O ATOM 455 CB PHE A 31 -1.228 -2.784 0.782 1.00 0.00 C ATOM 456 CG PHE A 31 -2.182 -2.325 -0.307 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.043 -2.716 -1.658 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.181 -1.406 0.038 1.00 0.00 C ATOM 459 CE1 PHE A 31 -2.872 -2.159 -2.646 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.993 -0.834 -0.952 1.00 0.00 C ATOM 461 CZ PHE A 31 -3.829 -1.195 -2.298 1.00 0.00 C ATOM 0 H PHE A 31 -2.659 -4.659 1.374 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.453 -4.385 -0.373 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.717 -2.658 1.748 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.356 -2.130 0.778 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.296 -3.446 -1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.327 -1.136 1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.772 -2.474 -3.674 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.748 -0.112 -0.677 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.437 -0.733 -3.062 1.00 0.00 H new ATOM 471 N LYS A 32 0.367 -4.812 2.803 1.00 0.00 N ATOM 472 CA LYS A 32 1.541 -5.128 3.626 1.00 0.00 C ATOM 473 C LYS A 32 2.260 -6.334 3.058 1.00 0.00 C ATOM 474 O LYS A 32 3.483 -6.323 2.917 1.00 0.00 O ATOM 475 CB LYS A 32 1.162 -5.391 5.091 1.00 0.00 C ATOM 476 CG LYS A 32 1.308 -4.118 5.933 1.00 0.00 C ATOM 477 CD LYS A 32 1.935 -4.426 7.298 1.00 0.00 C ATOM 478 CE LYS A 32 2.373 -3.130 8.003 1.00 0.00 C ATOM 479 NZ LYS A 32 3.835 -2.958 8.041 1.00 0.00 N ATOM 0 H LYS A 32 -0.519 -4.839 3.308 1.00 0.00 H new ATOM 0 HA LYS A 32 2.200 -4.260 3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.135 -5.752 5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.798 -6.177 5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.926 -3.395 5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.330 -3.658 6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.217 -4.959 7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.795 -5.083 7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.926 -2.277 7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.987 -3.130 9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.122 -2.638 8.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.297 -3.865 7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.120 -2.249 7.335 1.00 0.00 H new ATOM 493 N GLN A 33 1.492 -7.370 2.743 1.00 0.00 N ATOM 494 CA GLN A 33 1.990 -8.592 2.175 1.00 0.00 C ATOM 495 C GLN A 33 2.681 -8.259 0.852 1.00 0.00 C ATOM 496 O GLN A 33 3.748 -8.812 0.591 1.00 0.00 O ATOM 497 CB GLN A 33 0.803 -9.564 2.034 1.00 0.00 C ATOM 498 CG GLN A 33 1.057 -10.768 1.125 1.00 0.00 C ATOM 499 CD GLN A 33 2.048 -11.755 1.722 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.673 -12.719 2.385 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.324 -11.534 1.489 1.00 0.00 N ATOM 0 H GLN A 33 0.482 -7.372 2.884 1.00 0.00 H new ATOM 0 HA GLN A 33 2.734 -9.081 2.803 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.531 -9.927 3.025 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.055 -9.012 1.650 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.113 -11.278 0.933 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.433 -10.419 0.163 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.609 -10.726 0.935 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.028 -12.171 1.862 1.00 0.00 H new ATOM 510 N TYR A 34 2.093 -7.377 0.039 1.00 0.00 N ATOM 511 CA TYR A 34 2.625 -6.983 -1.255 1.00 0.00 C ATOM 512 C TYR A 34 3.912 -6.187 -1.099 1.00 0.00 C ATOM 513 O TYR A 34 4.903 -6.480 -1.753 1.00 0.00 O ATOM 514 CB TYR A 34 1.576 -6.188 -2.036 1.00 0.00 C ATOM 515 CG TYR A 34 1.908 -6.064 -3.504 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.527 -7.086 -4.393 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.622 -4.949 -3.978 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.855 -6.996 -5.757 1.00 0.00 C ATOM 519 CE2 TYR A 34 2.937 -4.848 -5.342 1.00 0.00 C ATOM 520 CZ TYR A 34 2.557 -5.871 -6.237 1.00 0.00 C ATOM 521 OH TYR A 34 2.885 -5.777 -7.553 1.00 0.00 O ATOM 0 H TYR A 34 1.216 -6.911 0.273 1.00 0.00 H new ATOM 0 HA TYR A 34 2.865 -7.885 -1.819 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.605 -6.672 -1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.486 -5.192 -1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.981 -7.942 -4.026 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.928 -4.172 -3.293 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.570 -7.786 -6.436 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.472 -3.984 -5.708 1.00 0.00 H new ATOM 0 HH TYR A 34 3.365 -4.938 -7.711 1.00 0.00 H new ATOM 531 N ALA A 35 3.935 -5.176 -0.237 1.00 0.00 N ATOM 532 CA ALA A 35 5.122 -4.374 -0.016 1.00 0.00 C ATOM 533 C ALA A 35 6.269 -5.272 0.431 1.00 0.00 C ATOM 534 O ALA A 35 7.354 -5.176 -0.139 1.00 0.00 O ATOM 535 CB ALA A 35 4.808 -3.312 1.017 1.00 0.00 C ATOM 0 H ALA A 35 3.131 -4.894 0.324 1.00 0.00 H new ATOM 0 HA ALA A 35 5.428 -3.880 -0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.694 -2.702 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.998 -2.680 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.506 -3.789 1.949 1.00 0.00 H new ATOM 541 N ASN A 36 6.025 -6.181 1.384 1.00 0.00 N ATOM 542 CA ASN A 36 7.062 -7.090 1.854 1.00 0.00 C ATOM 543 C ASN A 36 7.494 -7.996 0.695 1.00 0.00 C ATOM 544 O ASN A 36 8.659 -8.362 0.624 1.00 0.00 O ATOM 545 CB ASN A 36 6.603 -7.900 3.086 1.00 0.00 C ATOM 546 CG ASN A 36 6.868 -9.388 2.916 1.00 0.00 C ATOM 547 OD1 ASN A 36 7.872 -9.920 3.382 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.985 -10.063 2.199 1.00 0.00 N ATOM 0 H ASN A 36 5.120 -6.301 1.839 1.00 0.00 H new ATOM 0 HA ASN A 36 7.922 -6.509 2.186 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.122 -7.538 3.973 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.538 -7.737 3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.127 -11.057 2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.162 -9.590 1.827 1.00 0.00 H new ATOM 555 N ASP A 37 6.575 -8.343 -0.218 1.00 0.00 N ATOM 556 CA ASP A 37 6.873 -9.194 -1.369 1.00 0.00 C ATOM 557 C ASP A 37 7.884 -8.503 -2.280 1.00 0.00 C ATOM 558 O ASP A 37 8.630 -9.168 -2.994 1.00 0.00 O ATOM 559 CB ASP A 37 5.594 -9.571 -2.125 1.00 0.00 C ATOM 560 CG ASP A 37 5.846 -10.675 -3.142 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.332 -11.760 -2.743 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.493 -10.489 -4.329 1.00 0.00 O ATOM 0 H ASP A 37 5.603 -8.038 -0.175 1.00 0.00 H new ATOM 0 HA ASP A 37 7.316 -10.124 -1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.834 -9.897 -1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.199 -8.691 -2.633 1.00 0.00 H new ATOM 567 N ASN A 38 7.930 -7.169 -2.259 1.00 0.00 N ATOM 568 CA ASN A 38 8.870 -6.350 -3.024 1.00 0.00 C ATOM 569 C ASN A 38 10.052 -5.938 -2.125 1.00 0.00 C ATOM 570 O ASN A 38 10.984 -5.292 -2.600 1.00 0.00 O ATOM 571 CB ASN A 38 8.180 -5.102 -3.589 1.00 0.00 C ATOM 572 CG ASN A 38 7.118 -5.453 -4.611 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.376 -5.534 -5.808 1.00 0.00 O ATOM 574 ND2 ASN A 38 5.895 -5.649 -4.163 1.00 0.00 N ATOM 0 H ASN A 38 7.293 -6.612 -1.690 1.00 0.00 H new ATOM 0 HA ASN A 38 9.239 -6.941 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.726 -4.539 -2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.925 -4.453 -4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.143 -5.872 -4.815 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.700 -5.577 -3.164 1.00 0.00 H new ATOM 581 N GLY A 39 10.045 -6.302 -0.838 1.00 0.00 N ATOM 582 CA GLY A 39 11.075 -5.999 0.153 1.00 0.00 C ATOM 583 C GLY A 39 10.988 -4.565 0.659 1.00 0.00 C ATOM 584 O GLY A 39 12.014 -3.950 0.952 1.00 0.00 O ATOM 0 H GLY A 39 9.278 -6.845 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.979 -6.685 0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.059 -6.168 -0.285 1.00 0.00 H new ATOM 588 N VAL A 40 9.782 -4.011 0.749 1.00 0.00 N ATOM 589 CA VAL A 40 9.513 -2.661 1.199 1.00 0.00 C ATOM 590 C VAL A 40 8.768 -2.766 2.520 1.00 0.00 C ATOM 591 O VAL A 40 7.695 -3.363 2.594 1.00 0.00 O ATOM 592 CB VAL A 40 8.658 -1.912 0.162 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.539 -0.429 0.539 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.196 -2.051 -1.269 1.00 0.00 C ATOM 0 H VAL A 40 8.933 -4.518 0.498 1.00 0.00 H new ATOM 0 HA VAL A 40 10.442 -2.105 1.324 1.00 0.00 H new ATOM 0 HB VAL A 40 7.671 -2.375 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.931 0.088 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.069 -0.339 1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.532 0.019 0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.551 -1.502 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.207 -1.647 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.212 -3.104 -1.551 1.00 0.00 H new ATOM 604 N ASP A 41 9.344 -2.187 3.563 1.00 0.00 N ATOM 605 CA ASP A 41 8.773 -2.155 4.892 1.00 0.00 C ATOM 606 C ASP A 41 9.267 -0.869 5.518 1.00 0.00 C ATOM 607 O ASP A 41 10.433 -0.776 5.898 1.00 0.00 O ATOM 608 CB ASP A 41 9.194 -3.362 5.713 1.00 0.00 C ATOM 609 CG ASP A 41 8.771 -3.173 7.169 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.563 -3.294 7.472 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.635 -2.842 8.009 1.00 0.00 O ATOM 0 H ASP A 41 10.246 -1.715 3.502 1.00 0.00 H new ATOM 0 HA ASP A 41 7.684 -2.191 4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.739 -4.266 5.307 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.274 -3.495 5.653 1.00 0.00 H new ATOM 616 N GLY A 42 8.397 0.132 5.560 1.00 0.00 N ATOM 617 CA GLY A 42 8.700 1.434 6.110 1.00 0.00 C ATOM 618 C GLY A 42 7.550 1.998 6.912 1.00 0.00 C ATOM 619 O GLY A 42 6.774 1.261 7.516 1.00 0.00 O ATOM 0 H GLY A 42 7.444 0.053 5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.583 1.361 6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.946 2.120 5.300 1.00 0.00 H new ATOM 623 N GLU A 43 7.484 3.324 6.957 1.00 0.00 N ATOM 624 CA GLU A 43 6.443 4.044 7.656 1.00 0.00 C ATOM 625 C GLU A 43 5.238 4.111 6.720 1.00 0.00 C ATOM 626 O GLU A 43 5.323 4.719 5.646 1.00 0.00 O ATOM 627 CB GLU A 43 6.900 5.444 8.074 1.00 0.00 C ATOM 628 CG GLU A 43 5.852 6.013 9.050 1.00 0.00 C ATOM 629 CD GLU A 43 5.467 7.479 8.846 1.00 0.00 C ATOM 630 OE1 GLU A 43 5.603 8.025 7.725 1.00 0.00 O ATOM 631 OE2 GLU A 43 4.913 8.055 9.810 1.00 0.00 O ATOM 0 H GLU A 43 8.165 3.931 6.500 1.00 0.00 H new ATOM 0 HA GLU A 43 6.185 3.527 8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.880 5.399 8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.999 6.090 7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.949 5.408 8.974 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.230 5.896 10.066 1.00 0.00 H new ATOM 638 N TRP A 44 4.140 3.466 7.104 1.00 0.00 N ATOM 639 CA TRP A 44 2.919 3.448 6.313 1.00 0.00 C ATOM 640 C TRP A 44 2.071 4.673 6.639 1.00 0.00 C ATOM 641 O TRP A 44 1.879 5.004 7.809 1.00 0.00 O ATOM 642 CB TRP A 44 2.138 2.159 6.589 1.00 0.00 C ATOM 643 CG TRP A 44 2.810 0.924 6.080 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.932 0.377 6.598 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.468 0.099 4.928 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.326 -0.697 5.833 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.458 -0.914 4.797 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.431 0.099 3.972 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.445 -1.859 3.772 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.383 -0.885 2.966 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.392 -1.845 2.852 1.00 0.00 C ATOM 0 H TRP A 44 4.075 2.940 7.976 1.00 0.00 H new ATOM 0 HA TRP A 44 3.175 3.477 5.254 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.985 2.061 7.664 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.151 2.239 6.133 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.443 0.730 7.481 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.158 -1.259 6.015 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.667 0.861 4.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.236 -2.590 3.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.555 -0.898 2.273 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.359 -2.574 2.056 1.00 0.00 H new ATOM 662 N THR A 45 1.459 5.272 5.625 1.00 0.00 N ATOM 663 CA THR A 45 0.601 6.447 5.723 1.00 0.00 C ATOM 664 C THR A 45 -0.738 6.150 5.034 1.00 0.00 C ATOM 665 O THR A 45 -0.953 5.021 4.579 1.00 0.00 O ATOM 666 CB THR A 45 1.319 7.656 5.107 1.00 0.00 C ATOM 667 OG1 THR A 45 1.291 7.540 3.709 1.00 0.00 O ATOM 668 CG2 THR A 45 2.775 7.831 5.551 1.00 0.00 C ATOM 0 H THR A 45 1.552 4.936 4.666 1.00 0.00 H new ATOM 0 HA THR A 45 0.392 6.688 6.765 1.00 0.00 H new ATOM 0 HB THR A 45 0.781 8.535 5.462 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.600 8.377 3.305 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.200 8.709 5.065 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.812 7.960 6.633 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.349 6.948 5.271 1.00 0.00 H new ATOM 676 N TYR A 46 -1.670 7.107 4.987 1.00 0.00 N ATOM 677 CA TYR A 46 -2.969 6.937 4.346 1.00 0.00 C ATOM 678 C TYR A 46 -3.513 8.300 3.933 1.00 0.00 C ATOM 679 O TYR A 46 -3.514 9.226 4.748 1.00 0.00 O ATOM 680 CB TYR A 46 -3.953 6.241 5.298 1.00 0.00 C ATOM 681 CG TYR A 46 -5.374 6.155 4.789 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.623 5.624 3.512 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.445 6.609 5.587 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.935 5.552 3.029 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.766 6.462 5.134 1.00 0.00 C ATOM 686 CZ TYR A 46 -8.012 5.917 3.856 1.00 0.00 C ATOM 687 OH TYR A 46 -9.281 5.682 3.441 1.00 0.00 O ATOM 0 H TYR A 46 -1.538 8.031 5.399 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.849 6.312 3.461 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.592 5.232 5.497 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.954 6.773 6.249 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.803 5.272 2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.249 7.069 6.544 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.120 5.216 2.020 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.591 6.765 5.762 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.841 6.461 3.642 1.00 0.00 H new ATOM 697 N ASP A 47 -4.010 8.375 2.701 1.00 0.00 N ATOM 698 CA ASP A 47 -4.602 9.512 2.013 1.00 0.00 C ATOM 699 C ASP A 47 -6.036 9.116 1.662 1.00 0.00 C ATOM 700 O ASP A 47 -6.311 8.642 0.557 1.00 0.00 O ATOM 701 CB ASP A 47 -3.814 9.859 0.727 1.00 0.00 C ATOM 702 CG ASP A 47 -2.410 10.421 0.937 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.128 10.961 2.029 1.00 0.00 O ATOM 704 OD2 ASP A 47 -1.589 10.389 -0.013 1.00 0.00 O ATOM 0 H ASP A 47 -4.006 7.551 2.099 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.578 10.396 2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.737 8.959 0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.393 10.583 0.154 1.00 0.00 H new ATOM 709 N ASP A 48 -6.970 9.316 2.593 1.00 0.00 N ATOM 710 CA ASP A 48 -8.400 9.005 2.440 1.00 0.00 C ATOM 711 C ASP A 48 -8.989 9.634 1.189 1.00 0.00 C ATOM 712 O ASP A 48 -9.759 9.007 0.461 1.00 0.00 O ATOM 713 CB ASP A 48 -9.180 9.536 3.643 1.00 0.00 C ATOM 714 CG ASP A 48 -10.671 9.210 3.536 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.422 10.023 2.953 1.00 0.00 O ATOM 716 OD2 ASP A 48 -11.109 8.135 4.000 1.00 0.00 O ATOM 0 H ASP A 48 -6.749 9.712 3.507 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.482 7.921 2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.777 9.103 4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.047 10.615 3.716 1.00 0.00 H new ATOM 721 N ALA A 49 -8.533 10.849 0.905 1.00 0.00 N ATOM 722 CA ALA A 49 -8.927 11.688 -0.228 1.00 0.00 C ATOM 723 C ALA A 49 -8.869 10.960 -1.579 1.00 0.00 C ATOM 724 O ALA A 49 -9.582 11.311 -2.517 1.00 0.00 O ATOM 725 CB ALA A 49 -7.954 12.866 -0.292 1.00 0.00 C ATOM 0 H ALA A 49 -7.836 11.305 1.494 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.961 11.992 -0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.220 13.513 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.008 13.433 0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.939 12.493 -0.431 1.00 0.00 H new ATOM 731 N THR A 50 -8.011 9.953 -1.688 1.00 0.00 N ATOM 732 CA THR A 50 -7.800 9.136 -2.871 1.00 0.00 C ATOM 733 C THR A 50 -7.733 7.657 -2.476 1.00 0.00 C ATOM 734 O THR A 50 -7.375 6.844 -3.323 1.00 0.00 O ATOM 735 CB THR A 50 -6.533 9.643 -3.591 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.210 8.841 -4.711 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.319 9.709 -2.660 1.00 0.00 C ATOM 0 H THR A 50 -7.413 9.672 -0.911 1.00 0.00 H new ATOM 0 HA THR A 50 -8.632 9.222 -3.570 1.00 0.00 H new ATOM 0 HB THR A 50 -6.770 10.653 -3.926 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.517 7.923 -4.556 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.454 10.072 -3.215 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.531 10.388 -1.834 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.107 8.715 -2.267 1.00 0.00 H new ATOM 745 N LYS A 51 -8.087 7.303 -1.231 1.00 0.00 N ATOM 746 CA LYS A 51 -8.043 5.962 -0.654 1.00 0.00 C ATOM 747 C LYS A 51 -6.755 5.255 -1.108 1.00 0.00 C ATOM 748 O LYS A 51 -6.775 4.202 -1.753 1.00 0.00 O ATOM 749 CB LYS A 51 -9.363 5.194 -0.827 1.00 0.00 C ATOM 750 CG LYS A 51 -10.000 5.318 -2.214 1.00 0.00 C ATOM 751 CD LYS A 51 -11.024 4.207 -2.489 1.00 0.00 C ATOM 752 CE LYS A 51 -12.267 4.277 -1.594 1.00 0.00 C ATOM 753 NZ LYS A 51 -13.223 5.315 -2.027 1.00 0.00 N ATOM 0 H LYS A 51 -8.432 7.993 -0.564 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.973 6.018 0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.184 4.139 -0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.075 5.550 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.489 6.288 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.219 5.285 -2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.335 4.262 -3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.542 3.239 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.765 3.307 -1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.960 4.477 -0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.044 5.319 -1.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.760 6.246 -2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.540 5.112 -2.997 1.00 0.00 H new ATOM 767 N THR A 52 -5.626 5.884 -0.773 1.00 0.00 N ATOM 768 CA THR A 52 -4.297 5.412 -1.114 1.00 0.00 C ATOM 769 C THR A 52 -3.400 5.381 0.118 1.00 0.00 C ATOM 770 O THR A 52 -3.442 6.289 0.948 1.00 0.00 O ATOM 771 CB THR A 52 -3.669 6.391 -2.129 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.460 6.580 -3.286 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.266 5.986 -2.595 1.00 0.00 C ATOM 0 H THR A 52 -5.619 6.756 -0.244 1.00 0.00 H new ATOM 0 HA THR A 52 -4.382 4.407 -1.527 1.00 0.00 H new ATOM 0 HB THR A 52 -3.607 7.321 -1.564 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.403 6.652 -3.029 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.892 6.723 -3.306 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.597 5.939 -1.736 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.310 5.008 -3.075 1.00 0.00 H new ATOM 781 N PHE A 53 -2.570 4.351 0.232 1.00 0.00 N ATOM 782 CA PHE A 53 -1.593 4.196 1.300 1.00 0.00 C ATOM 783 C PHE A 53 -0.214 4.424 0.672 1.00 0.00 C ATOM 784 O PHE A 53 -0.023 4.153 -0.516 1.00 0.00 O ATOM 785 CB PHE A 53 -1.610 2.784 1.886 1.00 0.00 C ATOM 786 CG PHE A 53 -2.916 2.297 2.476 1.00 0.00 C ATOM 787 CD1 PHE A 53 -3.256 2.576 3.810 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.708 1.407 1.735 1.00 0.00 C ATOM 789 CE1 PHE A 53 -4.355 1.938 4.410 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.793 0.747 2.339 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.119 1.015 3.678 1.00 0.00 C ATOM 0 H PHE A 53 -2.559 3.580 -0.435 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.822 4.900 2.100 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.314 2.089 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.847 2.731 2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.670 3.284 4.377 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.483 1.228 0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.612 2.158 5.436 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.375 0.035 1.773 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.954 0.513 4.143 1.00 0.00 H new ATOM 801 N THR A 54 0.759 4.892 1.448 1.00 0.00 N ATOM 802 CA THR A 54 2.124 5.114 0.981 1.00 0.00 C ATOM 803 C THR A 54 3.029 4.493 2.043 1.00 0.00 C ATOM 804 O THR A 54 2.751 4.649 3.229 1.00 0.00 O ATOM 805 CB THR A 54 2.407 6.615 0.760 1.00 0.00 C ATOM 806 OG1 THR A 54 1.411 7.199 -0.067 1.00 0.00 O ATOM 807 CG2 THR A 54 3.787 6.888 0.158 1.00 0.00 C ATOM 0 H THR A 54 0.620 5.131 2.430 1.00 0.00 H new ATOM 0 HA THR A 54 2.301 4.653 0.009 1.00 0.00 H new ATOM 0 HB THR A 54 2.387 7.070 1.750 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.608 8.151 -0.194 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.922 7.962 0.029 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.558 6.504 0.826 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.866 6.393 -0.810 1.00 0.00 H new ATOM 815 N VAL A 55 4.065 3.757 1.646 1.00 0.00 N ATOM 816 CA VAL A 55 5.012 3.139 2.570 1.00 0.00 C ATOM 817 C VAL A 55 6.380 3.700 2.220 1.00 0.00 C ATOM 818 O VAL A 55 6.885 3.432 1.130 1.00 0.00 O ATOM 819 CB VAL A 55 4.930 1.597 2.561 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.119 0.942 1.189 1.00 0.00 C ATOM 821 CG2 VAL A 55 5.970 0.995 3.519 1.00 0.00 C ATOM 0 H VAL A 55 4.272 3.571 0.665 1.00 0.00 H new ATOM 0 HA VAL A 55 4.775 3.385 3.605 1.00 0.00 H new ATOM 0 HB VAL A 55 3.910 1.383 2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.044 -0.141 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.347 1.298 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.101 1.203 0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.897 -0.092 3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.970 1.297 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.782 1.353 4.531 1.00 0.00 H new ATOM 831 N THR A 56 6.948 4.519 3.102 1.00 0.00 N ATOM 832 CA THR A 56 8.259 5.104 2.879 1.00 0.00 C ATOM 833 C THR A 56 9.253 4.322 3.731 1.00 0.00 C ATOM 834 O THR A 56 9.220 4.427 4.963 1.00 0.00 O ATOM 835 CB THR A 56 8.287 6.604 3.184 1.00 0.00 C ATOM 836 OG1 THR A 56 7.094 7.271 2.810 1.00 0.00 O ATOM 837 CG2 THR A 56 9.422 7.275 2.416 1.00 0.00 C ATOM 0 H THR A 56 6.513 4.792 3.983 1.00 0.00 H new ATOM 0 HA THR A 56 8.528 5.030 1.825 1.00 0.00 H new ATOM 0 HB THR A 56 8.417 6.681 4.263 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.169 8.223 3.030 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.432 8.342 2.640 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.373 6.833 2.712 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.272 7.131 1.346 1.00 0.00 H new ATOM 845 N GLU A 57 10.041 3.462 3.088 1.00 0.00 N ATOM 846 CA GLU A 57 11.066 2.625 3.703 1.00 0.00 C ATOM 847 C GLU A 57 12.036 3.509 4.492 1.00 0.00 C ATOM 848 O GLU A 57 12.138 4.730 4.224 1.00 0.00 O ATOM 849 CB GLU A 57 11.727 1.766 2.612 1.00 0.00 C ATOM 850 CG GLU A 57 12.409 0.494 3.100 1.00 0.00 C ATOM 851 CD GLU A 57 13.315 -0.073 1.995 1.00 0.00 C ATOM 852 OE1 GLU A 57 12.830 -0.301 0.860 1.00 0.00 O ATOM 853 OE2 GLU A 57 14.534 -0.261 2.221 1.00 0.00 O ATOM 0 H GLU A 57 9.978 3.325 2.079 1.00 0.00 H new ATOM 0 HA GLU A 57 10.642 1.929 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.967 1.492 1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.465 2.376 2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.999 0.707 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.659 -0.245 3.382 1.00 0.00 H new TER 860 GLU A 57