USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 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 Single : A 1 MET CE :methyl -131:sc= -0.0113 (180deg=-0.817) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0.656 (180deg=0.652) USER MOD Single : A 3 THR OG1 : rot 33:sc= 1.27 USER MOD Single : A 4 TYR OH : rot 30:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0.0113 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.573 X(o=-0.57,f=-0.37) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0198 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -3.1! K(o=-3.1!,f=-1.4) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -134:sc= 0.221 USER MOD Single : A 50 THR OG1 : rot -63:sc= 1.06 USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= 0.239 (180deg=0.0421) USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00278 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.007 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.378 1.488 1.755 1.00 0.00 N ATOM 2 CA MET A 1 -16.172 0.461 0.706 1.00 0.00 C ATOM 3 C MET A 1 -15.588 -0.786 1.366 1.00 0.00 C ATOM 4 O MET A 1 -16.363 -1.676 1.691 1.00 0.00 O ATOM 5 CB MET A 1 -15.262 1.012 -0.403 1.00 0.00 C ATOM 6 CG MET A 1 -15.103 0.071 -1.602 1.00 0.00 C ATOM 7 SD MET A 1 -16.603 -0.029 -2.603 1.00 0.00 S ATOM 8 CE MET A 1 -16.498 1.534 -3.516 1.00 0.00 C ATOM 0 H1 MET A 1 -16.808 2.335 1.332 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.009 1.111 2.491 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.462 1.739 2.179 1.00 0.00 H new ATOM 0 HA MET A 1 -17.117 0.195 0.233 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.665 1.963 -0.751 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.278 1.218 0.017 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.277 0.416 -2.224 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.840 -0.925 -1.246 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.453 2.057 -3.454 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.715 2.156 -3.083 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.264 1.330 -4.561 1.00 0.00 H new ATOM 18 N GLY A 2 -14.267 -0.881 1.535 1.00 0.00 N ATOM 19 CA GLY A 2 -13.591 -2.049 2.101 1.00 0.00 C ATOM 20 C GLY A 2 -12.426 -1.680 3.018 1.00 0.00 C ATOM 21 O GLY A 2 -12.248 -0.515 3.368 1.00 0.00 O ATOM 0 H GLY A 2 -13.625 -0.132 1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.313 -2.643 2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.223 -2.677 1.290 1.00 0.00 H new ATOM 25 N THR A 3 -11.638 -2.688 3.402 1.00 0.00 N ATOM 26 CA THR A 3 -10.334 -2.554 4.072 1.00 0.00 C ATOM 27 C THR A 3 -9.229 -3.098 3.171 1.00 0.00 C ATOM 28 O THR A 3 -9.425 -4.085 2.470 1.00 0.00 O ATOM 29 CB THR A 3 -10.329 -3.273 5.431 1.00 0.00 C ATOM 30 OG1 THR A 3 -9.036 -3.241 5.984 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.763 -4.735 5.327 1.00 0.00 C ATOM 0 H THR A 3 -11.899 -3.662 3.250 1.00 0.00 H new ATOM 0 HA THR A 3 -10.151 -1.496 4.259 1.00 0.00 H new ATOM 0 HB THR A 3 -11.044 -2.746 6.063 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.590 -2.408 5.724 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.741 -5.192 6.316 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.775 -4.786 4.926 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.083 -5.270 4.664 1.00 0.00 H new ATOM 39 N TYR A 4 -8.069 -2.439 3.180 1.00 0.00 N ATOM 40 CA TYR A 4 -6.980 -2.667 2.223 1.00 0.00 C ATOM 41 C TYR A 4 -5.616 -2.788 2.928 1.00 0.00 C ATOM 42 O TYR A 4 -5.165 -1.853 3.580 1.00 0.00 O ATOM 43 CB TYR A 4 -6.979 -1.538 1.177 1.00 0.00 C ATOM 44 CG TYR A 4 -8.287 -1.393 0.423 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.569 -2.209 -0.681 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.255 -0.475 0.862 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.793 -2.113 -1.356 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.488 -0.373 0.194 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.763 -1.191 -0.920 1.00 0.00 C ATOM 50 OH TYR A 4 -11.958 -1.090 -1.562 1.00 0.00 O ATOM 0 H TYR A 4 -7.854 -1.716 3.867 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.149 -3.618 1.718 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.753 -0.595 1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.177 -1.721 0.461 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.831 -2.923 -1.017 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.052 0.155 1.716 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.992 -2.745 -2.209 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.228 0.336 0.536 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.197 -1.959 -1.947 1.00 0.00 H new ATOM 60 N LYS A 5 -4.951 -3.939 2.782 1.00 0.00 N ATOM 61 CA LYS A 5 -3.638 -4.199 3.399 1.00 0.00 C ATOM 62 C LYS A 5 -2.451 -3.641 2.579 1.00 0.00 C ATOM 63 O LYS A 5 -2.571 -3.483 1.369 1.00 0.00 O ATOM 64 CB LYS A 5 -3.526 -5.710 3.711 1.00 0.00 C ATOM 65 CG LYS A 5 -2.646 -5.982 4.943 1.00 0.00 C ATOM 66 CD LYS A 5 -2.574 -7.481 5.252 1.00 0.00 C ATOM 67 CE LYS A 5 -1.815 -7.694 6.568 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.939 -9.090 7.058 1.00 0.00 N ATOM 0 H LYS A 5 -5.306 -4.721 2.232 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.574 -3.647 4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.522 -6.120 3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.110 -6.228 2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.642 -5.595 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.048 -5.449 5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.579 -7.897 5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.072 -8.007 4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.762 -7.452 6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.199 -7.008 7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.413 -9.193 7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.942 -9.313 7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.550 -9.743 6.348 1.00 0.00 H new ATOM 82 N LEU A 6 -1.344 -3.314 3.247 1.00 0.00 N ATOM 83 CA LEU A 6 -0.144 -2.727 2.647 1.00 0.00 C ATOM 84 C LEU A 6 1.108 -3.283 3.340 1.00 0.00 C ATOM 85 O LEU A 6 1.126 -3.428 4.557 1.00 0.00 O ATOM 86 CB LEU A 6 -0.245 -1.187 2.754 1.00 0.00 C ATOM 87 CG LEU A 6 -0.223 -0.412 1.419 1.00 0.00 C ATOM 88 CD1 LEU A 6 -0.875 0.975 1.538 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.229 -0.256 0.947 1.00 0.00 C ATOM 0 H LEU A 6 -1.255 -3.455 4.253 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.066 -2.991 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.167 -0.939 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.580 -0.831 3.371 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.802 -0.985 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.834 1.480 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.915 0.863 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.339 1.567 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.248 0.291 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.798 0.293 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.673 -1.241 0.804 1.00 0.00 H new ATOM 101 N ILE A 7 2.146 -3.590 2.567 1.00 0.00 N ATOM 102 CA ILE A 7 3.501 -3.900 3.046 1.00 0.00 C ATOM 103 C ILE A 7 4.530 -3.474 1.991 1.00 0.00 C ATOM 104 O ILE A 7 4.463 -3.954 0.864 1.00 0.00 O ATOM 105 CB ILE A 7 3.602 -5.395 3.454 1.00 0.00 C ATOM 106 CG1 ILE A 7 5.067 -5.809 3.714 1.00 0.00 C ATOM 107 CG2 ILE A 7 2.925 -6.317 2.420 1.00 0.00 C ATOM 108 CD1 ILE A 7 5.215 -7.215 4.310 1.00 0.00 C ATOM 0 H ILE A 7 2.070 -3.633 1.551 1.00 0.00 H new ATOM 0 HA ILE A 7 3.724 -3.330 3.948 1.00 0.00 H new ATOM 0 HB ILE A 7 3.058 -5.513 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.620 -5.762 2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.524 -5.087 4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.017 -7.354 2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.870 -6.056 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.408 -6.193 1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.271 -7.435 4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.691 -7.263 5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.788 -7.947 3.625 1.00 0.00 H new ATOM 120 N LEU A 8 5.454 -2.577 2.344 1.00 0.00 N ATOM 121 CA LEU A 8 6.464 -2.015 1.444 1.00 0.00 C ATOM 122 C LEU A 8 7.697 -2.931 1.416 1.00 0.00 C ATOM 123 O LEU A 8 7.842 -3.781 2.285 1.00 0.00 O ATOM 124 CB LEU A 8 6.802 -0.584 1.917 1.00 0.00 C ATOM 125 CG LEU A 8 5.625 0.416 1.946 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.741 0.312 0.694 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.771 0.160 3.196 1.00 0.00 C ATOM 0 H LEU A 8 5.522 -2.210 3.293 1.00 0.00 H new ATOM 0 HA LEU A 8 6.088 -1.955 0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.226 -0.645 2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.579 -0.182 1.266 1.00 0.00 H new ATOM 0 HG LEU A 8 6.046 1.421 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.928 1.035 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.340 0.521 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.327 -0.694 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.940 0.864 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.383 -0.858 3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.383 0.292 4.088 1.00 0.00 H new ATOM 139 N ASN A 9 8.569 -2.748 0.424 1.00 0.00 N ATOM 140 CA ASN A 9 9.953 -3.237 0.410 1.00 0.00 C ATOM 141 C ASN A 9 10.929 -2.074 0.122 1.00 0.00 C ATOM 142 O ASN A 9 10.805 -1.429 -0.915 1.00 0.00 O ATOM 143 CB ASN A 9 10.086 -4.382 -0.619 1.00 0.00 C ATOM 144 CG ASN A 9 11.395 -5.163 -0.523 1.00 0.00 C ATOM 145 OD1 ASN A 9 11.507 -6.185 0.140 1.00 0.00 O ATOM 146 ND2 ASN A 9 12.435 -4.696 -1.186 1.00 0.00 N ATOM 0 H ASN A 9 8.324 -2.237 -0.424 1.00 0.00 H new ATOM 0 HA ASN A 9 10.215 -3.638 1.389 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.253 -5.073 -0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.998 -3.965 -1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 9 13.328 -5.187 -1.145 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.346 -3.844 -1.740 1.00 0.00 H new ATOM 153 N GLY A 10 11.881 -1.820 1.021 1.00 0.00 N ATOM 154 CA GLY A 10 12.877 -0.753 0.884 1.00 0.00 C ATOM 155 C GLY A 10 14.279 -1.184 1.317 1.00 0.00 C ATOM 156 O GLY A 10 14.452 -2.106 2.106 1.00 0.00 O ATOM 0 H GLY A 10 11.984 -2.359 1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.909 -0.425 -0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.566 0.105 1.480 1.00 0.00 H new ATOM 160 N LYS A 11 15.296 -0.499 0.785 1.00 0.00 N ATOM 161 CA LYS A 11 16.709 -0.813 1.067 1.00 0.00 C ATOM 162 C LYS A 11 17.003 -1.044 2.569 1.00 0.00 C ATOM 163 O LYS A 11 17.415 -2.138 2.942 1.00 0.00 O ATOM 164 CB LYS A 11 17.598 0.273 0.418 1.00 0.00 C ATOM 165 CG LYS A 11 19.078 -0.144 0.362 1.00 0.00 C ATOM 166 CD LYS A 11 19.955 0.991 -0.179 1.00 0.00 C ATOM 167 CE LYS A 11 21.385 0.477 -0.383 1.00 0.00 C ATOM 168 NZ LYS A 11 22.321 1.571 -0.740 1.00 0.00 N ATOM 0 H LYS A 11 15.169 0.287 0.148 1.00 0.00 H new ATOM 0 HA LYS A 11 16.952 -1.775 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.241 0.476 -0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.505 1.201 0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.417 -0.425 1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.187 -1.024 -0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.551 1.359 -1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.954 1.830 0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.729 -0.011 0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.391 -0.277 -1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 23.277 1.182 -0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 22.008 2.021 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 22.335 2.278 0.022 1.00 0.00 H new ATOM 182 N THR A 12 16.822 -0.010 3.396 1.00 0.00 N ATOM 183 CA THR A 12 17.215 0.036 4.813 1.00 0.00 C ATOM 184 C THR A 12 16.013 -0.278 5.699 1.00 0.00 C ATOM 185 O THR A 12 16.160 -0.883 6.755 1.00 0.00 O ATOM 186 CB THR A 12 17.817 1.404 5.179 1.00 0.00 C ATOM 187 OG1 THR A 12 17.030 2.434 4.631 1.00 0.00 O ATOM 188 CG2 THR A 12 19.247 1.577 4.668 1.00 0.00 C ATOM 0 H THR A 12 16.379 0.855 3.086 1.00 0.00 H new ATOM 0 HA THR A 12 17.983 -0.719 4.980 1.00 0.00 H new ATOM 0 HB THR A 12 17.834 1.454 6.268 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.417 3.303 4.868 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.620 2.560 4.956 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.884 0.806 5.102 1.00 0.00 H new ATOM 0 HG23 THR A 12 19.258 1.488 3.582 1.00 0.00 H new ATOM 196 N LEU A 13 14.824 0.152 5.269 1.00 0.00 N ATOM 197 CA LEU A 13 13.641 0.330 6.115 1.00 0.00 C ATOM 198 C LEU A 13 12.461 -0.455 5.525 1.00 0.00 C ATOM 199 O LEU A 13 12.288 -0.500 4.313 1.00 0.00 O ATOM 200 CB LEU A 13 13.346 1.842 6.232 1.00 0.00 C ATOM 201 CG LEU A 13 12.299 2.248 7.293 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.709 1.818 8.709 1.00 0.00 C ATOM 203 CD2 LEU A 13 12.102 3.769 7.259 1.00 0.00 C ATOM 0 H LEU A 13 14.653 0.393 4.293 1.00 0.00 H new ATOM 0 HA LEU A 13 13.813 -0.061 7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.280 2.358 6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.008 2.202 5.260 1.00 0.00 H new ATOM 0 HG LEU A 13 11.368 1.736 7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.942 2.126 9.419 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.821 0.734 8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.656 2.289 8.972 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.363 4.057 8.007 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.049 4.263 7.475 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.753 4.069 6.271 1.00 0.00 H new ATOM 215 N LYS A 14 11.645 -1.072 6.385 1.00 0.00 N ATOM 216 CA LYS A 14 10.417 -1.775 5.969 1.00 0.00 C ATOM 217 C LYS A 14 9.155 -1.325 6.743 1.00 0.00 C ATOM 218 O LYS A 14 9.238 -0.428 7.576 1.00 0.00 O ATOM 219 CB LYS A 14 10.673 -3.299 6.023 1.00 0.00 C ATOM 220 CG LYS A 14 11.128 -3.860 4.667 1.00 0.00 C ATOM 221 CD LYS A 14 11.561 -5.326 4.790 1.00 0.00 C ATOM 222 CE LYS A 14 11.845 -5.893 3.394 1.00 0.00 C ATOM 223 NZ LYS A 14 12.373 -7.278 3.456 1.00 0.00 N ATOM 0 H LYS A 14 11.813 -1.101 7.391 1.00 0.00 H new ATOM 0 HA LYS A 14 10.187 -1.500 4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.432 -3.512 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.762 -3.808 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.315 -3.778 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.956 -3.264 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.452 -5.402 5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.779 -5.908 5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.929 -5.880 2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.564 -5.253 2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.552 -7.625 2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.261 -7.287 3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.677 -7.894 3.922 1.00 0.00 H new ATOM 237 N GLY A 15 8.002 -1.923 6.436 1.00 0.00 N ATOM 238 CA GLY A 15 6.745 -1.701 7.158 1.00 0.00 C ATOM 239 C GLY A 15 5.555 -2.413 6.515 1.00 0.00 C ATOM 240 O GLY A 15 5.564 -2.674 5.318 1.00 0.00 O ATOM 0 H GLY A 15 7.913 -2.586 5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.856 -2.047 8.186 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.541 -0.631 7.202 1.00 0.00 H new ATOM 244 N GLU A 16 4.544 -2.714 7.328 1.00 0.00 N ATOM 245 CA GLU A 16 3.249 -3.262 6.920 1.00 0.00 C ATOM 246 C GLU A 16 2.139 -2.548 7.716 1.00 0.00 C ATOM 247 O GLU A 16 2.412 -2.035 8.798 1.00 0.00 O ATOM 248 CB GLU A 16 3.253 -4.789 7.143 1.00 0.00 C ATOM 249 CG GLU A 16 3.290 -5.200 8.621 1.00 0.00 C ATOM 250 CD GLU A 16 3.756 -6.643 8.793 1.00 0.00 C ATOM 251 OE1 GLU A 16 4.616 -6.865 9.672 1.00 0.00 O ATOM 252 OE2 GLU A 16 3.228 -7.502 8.056 1.00 0.00 O ATOM 0 H GLU A 16 4.607 -2.576 8.337 1.00 0.00 H new ATOM 0 HA GLU A 16 3.061 -3.091 5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.364 -5.217 6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.116 -5.219 6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.958 -4.534 9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.297 -5.084 9.056 1.00 0.00 H new ATOM 259 N THR A 17 0.924 -2.497 7.164 1.00 0.00 N ATOM 260 CA THR A 17 -0.267 -1.881 7.770 1.00 0.00 C ATOM 261 C THR A 17 -1.514 -2.279 6.982 1.00 0.00 C ATOM 262 O THR A 17 -1.410 -2.948 5.958 1.00 0.00 O ATOM 263 CB THR A 17 -0.132 -0.349 7.835 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.991 0.165 8.826 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.477 0.332 6.509 1.00 0.00 C ATOM 0 H THR A 17 0.732 -2.899 6.246 1.00 0.00 H new ATOM 0 HA THR A 17 -0.360 -2.246 8.793 1.00 0.00 H new ATOM 0 HB THR A 17 0.912 -0.139 8.067 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.900 1.140 8.864 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.364 1.411 6.614 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.194 -0.029 5.729 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.507 0.100 6.238 1.00 0.00 H new ATOM 273 N THR A 18 -2.689 -1.876 7.477 1.00 0.00 N ATOM 274 CA THR A 18 -3.981 -1.926 6.779 1.00 0.00 C ATOM 275 C THR A 18 -4.695 -0.580 6.906 1.00 0.00 C ATOM 276 O THR A 18 -4.319 0.241 7.737 1.00 0.00 O ATOM 277 CB THR A 18 -4.866 -3.061 7.323 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.893 -3.347 6.404 1.00 0.00 O ATOM 279 CG2 THR A 18 -5.512 -2.715 8.664 1.00 0.00 C ATOM 0 H THR A 18 -2.771 -1.489 8.417 1.00 0.00 H new ATOM 0 HA THR A 18 -3.793 -2.130 5.725 1.00 0.00 H new ATOM 0 HB THR A 18 -4.213 -3.922 7.469 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.453 -4.071 6.754 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.125 -3.552 8.999 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.735 -2.516 9.402 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.138 -1.830 8.549 1.00 0.00 H new ATOM 287 N THR A 19 -5.712 -0.362 6.066 1.00 0.00 N ATOM 288 CA THR A 19 -6.613 0.802 6.093 1.00 0.00 C ATOM 289 C THR A 19 -8.060 0.343 5.930 1.00 0.00 C ATOM 290 O THR A 19 -8.298 -0.780 5.507 1.00 0.00 O ATOM 291 CB THR A 19 -6.240 1.820 5.002 1.00 0.00 C ATOM 292 OG1 THR A 19 -6.593 1.316 3.737 1.00 0.00 O ATOM 293 CG2 THR A 19 -4.747 2.144 4.981 1.00 0.00 C ATOM 0 H THR A 19 -5.942 -1.016 5.318 1.00 0.00 H new ATOM 0 HA THR A 19 -6.505 1.298 7.057 1.00 0.00 H new ATOM 0 HB THR A 19 -6.787 2.734 5.232 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.355 1.969 3.046 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.543 2.867 4.191 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.452 2.564 5.943 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.179 1.232 4.794 1.00 0.00 H new ATOM 301 N GLU A 20 -9.006 1.212 6.284 1.00 0.00 N ATOM 302 CA GLU A 20 -10.446 1.044 6.083 1.00 0.00 C ATOM 303 C GLU A 20 -11.024 2.360 5.532 1.00 0.00 C ATOM 304 O GLU A 20 -10.888 3.395 6.177 1.00 0.00 O ATOM 305 CB GLU A 20 -11.096 0.617 7.416 1.00 0.00 C ATOM 306 CG GLU A 20 -12.631 0.641 7.390 1.00 0.00 C ATOM 307 CD GLU A 20 -13.223 0.047 8.665 1.00 0.00 C ATOM 308 OE1 GLU A 20 -13.563 0.846 9.565 1.00 0.00 O ATOM 309 OE2 GLU A 20 -13.343 -1.196 8.713 1.00 0.00 O ATOM 0 H GLU A 20 -8.779 2.095 6.741 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.658 0.260 5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.761 -0.390 7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.745 1.277 8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.978 1.668 7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.990 0.081 6.526 1.00 0.00 H new ATOM 316 N ALA A 21 -11.633 2.319 4.348 1.00 0.00 N ATOM 317 CA ALA A 21 -11.909 3.481 3.499 1.00 0.00 C ATOM 318 C ALA A 21 -13.426 3.670 3.313 1.00 0.00 C ATOM 319 O ALA A 21 -14.159 2.691 3.281 1.00 0.00 O ATOM 320 CB ALA A 21 -11.183 3.304 2.154 1.00 0.00 C ATOM 0 H ALA A 21 -11.960 1.445 3.937 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.535 4.386 3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.383 4.165 1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.110 3.223 2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.541 2.398 1.664 1.00 0.00 H new ATOM 326 N VAL A 22 -13.866 4.919 3.177 1.00 0.00 N ATOM 327 CA VAL A 22 -15.272 5.325 3.016 1.00 0.00 C ATOM 328 C VAL A 22 -15.652 5.229 1.531 1.00 0.00 C ATOM 329 O VAL A 22 -16.835 5.112 1.238 1.00 0.00 O ATOM 330 CB VAL A 22 -15.531 6.740 3.603 1.00 0.00 C ATOM 331 CG1 VAL A 22 -15.466 6.776 5.141 1.00 0.00 C ATOM 332 CG2 VAL A 22 -14.575 7.794 3.020 1.00 0.00 C ATOM 0 H VAL A 22 -13.229 5.716 3.175 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.911 4.648 3.583 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.550 6.988 3.306 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.655 7.791 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -16.219 6.105 5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.477 6.458 5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.794 8.767 3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.546 7.517 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.707 7.847 1.939 1.00 0.00 H new ATOM 342 N ASP A 23 -14.664 5.310 0.640 1.00 0.00 N ATOM 343 CA ASP A 23 -14.771 5.091 -0.808 1.00 0.00 C ATOM 344 C ASP A 23 -13.460 4.459 -1.334 1.00 0.00 C ATOM 345 O ASP A 23 -12.444 4.516 -0.653 1.00 0.00 O ATOM 346 CB ASP A 23 -15.105 6.427 -1.509 1.00 0.00 C ATOM 347 CG ASP A 23 -15.761 6.274 -2.891 1.00 0.00 C ATOM 348 OD1 ASP A 23 -15.018 6.269 -3.903 1.00 0.00 O ATOM 349 OD2 ASP A 23 -17.006 6.198 -2.931 1.00 0.00 O ATOM 0 H ASP A 23 -13.712 5.543 0.922 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.580 4.395 -1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.770 7.004 -0.867 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.187 7.005 -1.618 1.00 0.00 H new ATOM 354 N ALA A 24 -13.506 3.861 -2.524 1.00 0.00 N ATOM 355 CA ALA A 24 -12.374 3.220 -3.192 1.00 0.00 C ATOM 356 C ALA A 24 -11.415 4.276 -3.773 1.00 0.00 C ATOM 357 O ALA A 24 -10.255 3.976 -4.032 1.00 0.00 O ATOM 358 CB ALA A 24 -12.920 2.284 -4.278 1.00 0.00 C ATOM 0 H ALA A 24 -14.366 3.808 -3.070 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.796 2.635 -2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.090 1.796 -4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.559 1.529 -3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.500 2.861 -4.998 1.00 0.00 H new ATOM 364 N ALA A 25 -11.908 5.502 -3.955 1.00 0.00 N ATOM 365 CA ALA A 25 -11.161 6.639 -4.495 1.00 0.00 C ATOM 366 C ALA A 25 -10.241 7.245 -3.419 1.00 0.00 C ATOM 367 O ALA A 25 -9.159 7.728 -3.743 1.00 0.00 O ATOM 368 CB ALA A 25 -12.154 7.673 -5.050 1.00 0.00 C ATOM 0 H ALA A 25 -12.872 5.739 -3.722 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.517 6.306 -5.309 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.605 8.524 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.750 7.217 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.811 8.012 -4.249 1.00 0.00 H new ATOM 374 N THR A 26 -10.675 7.199 -2.156 1.00 0.00 N ATOM 375 CA THR A 26 -9.879 7.527 -0.963 1.00 0.00 C ATOM 376 C THR A 26 -8.687 6.579 -0.857 1.00 0.00 C ATOM 377 O THR A 26 -7.554 7.025 -0.709 1.00 0.00 O ATOM 378 CB THR A 26 -10.736 7.464 0.312 1.00 0.00 C ATOM 379 OG1 THR A 26 -11.990 8.057 0.075 1.00 0.00 O ATOM 380 CG2 THR A 26 -10.089 8.183 1.495 1.00 0.00 C ATOM 0 H THR A 26 -11.629 6.921 -1.924 1.00 0.00 H new ATOM 0 HA THR A 26 -9.512 8.548 -1.064 1.00 0.00 H new ATOM 0 HB THR A 26 -10.837 6.409 0.565 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.532 8.012 0.890 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.738 8.106 2.367 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.126 7.723 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.940 9.234 1.245 1.00 0.00 H new ATOM 388 N ALA A 27 -8.951 5.274 -0.918 1.00 0.00 N ATOM 389 CA ALA A 27 -7.948 4.207 -0.890 1.00 0.00 C ATOM 390 C ALA A 27 -6.934 4.386 -2.036 1.00 0.00 C ATOM 391 O ALA A 27 -5.737 4.401 -1.782 1.00 0.00 O ATOM 392 CB ALA A 27 -8.660 2.847 -0.962 1.00 0.00 C ATOM 0 H ALA A 27 -9.904 4.917 -0.991 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.384 4.253 0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.920 2.047 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.331 2.742 -0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.235 2.786 -1.886 1.00 0.00 H new ATOM 398 N GLU A 28 -7.429 4.531 -3.263 1.00 0.00 N ATOM 399 CA GLU A 28 -6.649 4.748 -4.483 1.00 0.00 C ATOM 400 C GLU A 28 -5.686 5.926 -4.252 1.00 0.00 C ATOM 401 O GLU A 28 -4.544 5.886 -4.697 1.00 0.00 O ATOM 402 CB GLU A 28 -7.614 4.991 -5.662 1.00 0.00 C ATOM 403 CG GLU A 28 -8.127 3.702 -6.320 1.00 0.00 C ATOM 404 CD GLU A 28 -9.045 4.001 -7.501 1.00 0.00 C ATOM 405 OE1 GLU A 28 -10.113 3.355 -7.572 1.00 0.00 O ATOM 406 OE2 GLU A 28 -8.672 4.882 -8.305 1.00 0.00 O ATOM 0 H GLU A 28 -8.432 4.499 -3.444 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.048 3.873 -4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.466 5.571 -5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.108 5.595 -6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.281 3.104 -6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.664 3.105 -5.583 1.00 0.00 H new ATOM 413 N LYS A 29 -6.155 6.985 -3.583 1.00 0.00 N ATOM 414 CA LYS A 29 -5.318 8.147 -3.230 1.00 0.00 C ATOM 415 C LYS A 29 -4.259 7.838 -2.142 1.00 0.00 C ATOM 416 O LYS A 29 -3.114 8.242 -2.291 1.00 0.00 O ATOM 417 CB LYS A 29 -6.241 9.337 -2.882 1.00 0.00 C ATOM 418 CG LYS A 29 -6.870 9.971 -4.135 1.00 0.00 C ATOM 419 CD LYS A 29 -5.862 10.857 -4.875 1.00 0.00 C ATOM 420 CE LYS A 29 -6.548 11.513 -6.080 1.00 0.00 C ATOM 421 NZ LYS A 29 -5.657 12.481 -6.766 1.00 0.00 N ATOM 0 H LYS A 29 -7.122 7.065 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.713 8.420 -4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.032 8.998 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.669 10.092 -2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.227 9.186 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.738 10.565 -3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.472 11.622 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.012 10.261 -5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.858 10.742 -6.785 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.452 12.024 -5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.158 12.902 -7.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.382 13.231 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.806 11.989 -7.105 1.00 0.00 H new ATOM 435 N VAL A 30 -4.662 7.169 -1.063 1.00 0.00 N ATOM 436 CA VAL A 30 -3.839 6.841 0.110 1.00 0.00 C ATOM 437 C VAL A 30 -2.527 6.204 -0.364 1.00 0.00 C ATOM 438 O VAL A 30 -1.460 6.619 0.074 1.00 0.00 O ATOM 439 CB VAL A 30 -4.607 5.940 1.122 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.683 4.964 1.895 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.437 6.793 2.109 1.00 0.00 C ATOM 0 H VAL A 30 -5.617 6.822 -0.974 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.604 7.756 0.653 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.283 5.327 0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.280 4.366 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.176 4.307 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.942 5.533 2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.962 6.138 2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.773 7.454 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.161 7.389 1.554 1.00 0.00 H new ATOM 451 N PHE A 31 -2.615 5.192 -1.228 1.00 0.00 N ATOM 452 CA PHE A 31 -1.485 4.372 -1.672 1.00 0.00 C ATOM 453 C PHE A 31 -0.252 5.248 -1.961 1.00 0.00 C ATOM 454 O PHE A 31 0.833 4.986 -1.455 1.00 0.00 O ATOM 455 CB PHE A 31 -1.902 3.540 -2.899 1.00 0.00 C ATOM 456 CG PHE A 31 -3.112 2.656 -2.667 1.00 0.00 C ATOM 457 CD1 PHE A 31 -3.403 2.168 -1.378 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.972 2.354 -3.740 1.00 0.00 C ATOM 459 CE1 PHE A 31 -4.550 1.383 -1.165 1.00 0.00 C ATOM 460 CE2 PHE A 31 -5.119 1.567 -3.525 1.00 0.00 C ATOM 461 CZ PHE A 31 -5.408 1.083 -2.238 1.00 0.00 C ATOM 0 H PHE A 31 -3.500 4.911 -1.651 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.203 3.684 -0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.113 4.216 -3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.062 2.915 -3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.745 2.397 -0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.751 2.727 -4.729 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.772 1.010 -0.176 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.777 1.335 -4.349 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.289 0.481 -2.073 1.00 0.00 H new ATOM 471 N LYS A 32 -0.427 6.296 -2.772 1.00 0.00 N ATOM 472 CA LYS A 32 0.679 7.167 -3.211 1.00 0.00 C ATOM 473 C LYS A 32 1.278 8.025 -2.069 1.00 0.00 C ATOM 474 O LYS A 32 2.473 8.298 -2.065 1.00 0.00 O ATOM 475 CB LYS A 32 0.209 7.993 -4.430 1.00 0.00 C ATOM 476 CG LYS A 32 0.223 7.168 -5.728 1.00 0.00 C ATOM 477 CD LYS A 32 0.156 8.077 -6.962 1.00 0.00 C ATOM 478 CE LYS A 32 0.165 7.213 -8.231 1.00 0.00 C ATOM 479 NZ LYS A 32 0.047 8.036 -9.460 1.00 0.00 N ATOM 0 H LYS A 32 -1.337 6.568 -3.145 1.00 0.00 H new ATOM 0 HA LYS A 32 1.517 6.542 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.799 8.365 -4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.854 8.864 -4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.128 6.562 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.622 6.479 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.747 8.687 -6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.003 8.763 -6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.087 6.633 -8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.658 6.500 -8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.057 7.416 -10.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.845 8.570 -9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.846 8.699 -9.512 1.00 0.00 H new ATOM 493 N GLN A 33 0.442 8.469 -1.133 1.00 0.00 N ATOM 494 CA GLN A 33 0.824 9.362 -0.041 1.00 0.00 C ATOM 495 C GLN A 33 1.462 8.531 1.079 1.00 0.00 C ATOM 496 O GLN A 33 2.476 8.941 1.634 1.00 0.00 O ATOM 497 CB GLN A 33 -0.428 10.119 0.442 1.00 0.00 C ATOM 498 CG GLN A 33 -0.266 10.765 1.828 1.00 0.00 C ATOM 499 CD GLN A 33 -0.731 9.862 2.974 1.00 0.00 C ATOM 500 OE1 GLN A 33 -0.045 9.621 3.951 1.00 0.00 O ATOM 501 NE2 GLN A 33 -1.927 9.319 2.906 1.00 0.00 N ATOM 0 H GLN A 33 -0.545 8.211 -1.112 1.00 0.00 H new ATOM 0 HA GLN A 33 1.557 10.099 -0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.675 10.894 -0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.271 9.428 0.470 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.782 11.024 1.981 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.832 11.696 1.856 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.525 9.502 2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.256 8.715 3.659 1.00 0.00 H new ATOM 510 N TYR A 34 0.881 7.375 1.402 1.00 0.00 N ATOM 511 CA TYR A 34 1.316 6.512 2.506 1.00 0.00 C ATOM 512 C TYR A 34 2.800 6.117 2.373 1.00 0.00 C ATOM 513 O TYR A 34 3.608 6.489 3.215 1.00 0.00 O ATOM 514 CB TYR A 34 0.406 5.273 2.573 1.00 0.00 C ATOM 515 CG TYR A 34 0.903 4.197 3.520 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.308 2.941 3.023 1.00 0.00 C ATOM 517 CD2 TYR A 34 1.004 4.478 4.897 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.810 1.962 3.902 1.00 0.00 C ATOM 519 CE2 TYR A 34 1.510 3.504 5.777 1.00 0.00 C ATOM 520 CZ TYR A 34 1.914 2.242 5.284 1.00 0.00 C ATOM 521 OH TYR A 34 2.401 1.303 6.139 1.00 0.00 O ATOM 0 H TYR A 34 0.078 7.003 0.894 1.00 0.00 H new ATOM 0 HA TYR A 34 1.228 7.068 3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.592 5.583 2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.312 4.849 1.573 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.233 2.730 1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.693 5.440 5.277 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.115 0.999 3.521 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.590 3.721 6.832 1.00 0.00 H new ATOM 0 HH TYR A 34 2.405 1.662 7.051 1.00 0.00 H new ATOM 531 N ALA A 35 3.138 5.381 1.314 1.00 0.00 N ATOM 532 CA ALA A 35 4.399 4.653 1.163 1.00 0.00 C ATOM 533 C ALA A 35 5.565 5.628 0.910 1.00 0.00 C ATOM 534 O ALA A 35 6.711 5.296 1.189 1.00 0.00 O ATOM 535 CB ALA A 35 4.254 3.627 0.025 1.00 0.00 C ATOM 0 H ALA A 35 2.520 5.271 0.510 1.00 0.00 H new ATOM 0 HA ALA A 35 4.628 4.119 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.190 3.081 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.453 2.928 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.016 4.145 -0.904 1.00 0.00 H new ATOM 541 N ASN A 36 5.256 6.820 0.400 1.00 0.00 N ATOM 542 CA ASN A 36 6.207 7.909 0.150 1.00 0.00 C ATOM 543 C ASN A 36 6.789 8.427 1.486 1.00 0.00 C ATOM 544 O ASN A 36 7.861 9.016 1.454 1.00 0.00 O ATOM 545 CB ASN A 36 5.512 9.026 -0.660 1.00 0.00 C ATOM 546 CG ASN A 36 6.399 10.234 -0.953 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.298 11.291 -0.344 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.299 10.115 -1.910 1.00 0.00 N ATOM 0 H ASN A 36 4.301 7.065 0.139 1.00 0.00 H new ATOM 0 HA ASN A 36 7.045 7.542 -0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.162 8.610 -1.604 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.631 9.361 -0.113 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.907 10.902 -2.139 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.387 9.236 -2.421 1.00 0.00 H new ATOM 555 N ASP A 37 6.091 8.200 2.598 1.00 0.00 N ATOM 556 CA ASP A 37 6.547 8.421 3.978 1.00 0.00 C ATOM 557 C ASP A 37 7.549 7.314 4.377 1.00 0.00 C ATOM 558 O ASP A 37 8.374 7.533 5.257 1.00 0.00 O ATOM 559 CB ASP A 37 5.324 8.480 4.922 1.00 0.00 C ATOM 560 CG ASP A 37 5.591 9.174 6.267 1.00 0.00 C ATOM 561 OD1 ASP A 37 5.794 10.411 6.266 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.623 8.454 7.289 1.00 0.00 O ATOM 0 H ASP A 37 5.139 7.837 2.563 1.00 0.00 H new ATOM 0 HA ASP A 37 7.068 9.375 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.513 9.001 4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.979 7.464 5.114 1.00 0.00 H new ATOM 567 N ASN A 38 7.457 6.146 3.740 1.00 0.00 N ATOM 568 CA ASN A 38 8.289 4.967 4.005 1.00 0.00 C ATOM 569 C ASN A 38 9.516 4.955 3.063 1.00 0.00 C ATOM 570 O ASN A 38 10.438 4.178 3.287 1.00 0.00 O ATOM 571 CB ASN A 38 7.432 3.687 3.868 1.00 0.00 C ATOM 572 CG ASN A 38 7.812 2.565 4.836 1.00 0.00 C ATOM 573 OD1 ASN A 38 8.894 2.529 5.406 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.930 1.605 5.051 1.00 0.00 N ATOM 0 H ASN A 38 6.776 5.987 2.997 1.00 0.00 H new ATOM 0 HA ASN A 38 8.670 5.004 5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.385 3.947 4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.518 3.314 2.847 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.153 0.841 5.689 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.026 1.628 4.579 1.00 0.00 H new ATOM 581 N GLY A 39 9.521 5.806 2.036 1.00 0.00 N ATOM 582 CA GLY A 39 10.615 5.915 1.065 1.00 0.00 C ATOM 583 C GLY A 39 10.692 4.721 0.115 1.00 0.00 C ATOM 584 O GLY A 39 11.545 3.856 0.270 1.00 0.00 O ATOM 0 H GLY A 39 8.753 6.451 1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.487 6.828 0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.560 6.008 1.600 1.00 0.00 H new ATOM 588 N VAL A 40 9.788 4.688 -0.863 1.00 0.00 N ATOM 589 CA VAL A 40 9.618 3.605 -1.844 1.00 0.00 C ATOM 590 C VAL A 40 9.879 4.160 -3.251 1.00 0.00 C ATOM 591 O VAL A 40 9.545 5.313 -3.496 1.00 0.00 O ATOM 592 CB VAL A 40 8.220 2.935 -1.721 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.014 2.217 -0.375 1.00 0.00 C ATOM 594 CG2 VAL A 40 7.076 3.937 -1.954 1.00 0.00 C ATOM 0 H VAL A 40 9.122 5.447 -1.004 1.00 0.00 H new ATOM 0 HA VAL A 40 10.343 2.817 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 40 8.194 2.182 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.020 1.770 -0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.766 1.437 -0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.109 2.936 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.119 3.425 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.136 4.736 -1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.162 4.361 -2.954 1.00 0.00 H new ATOM 604 N ASP A 41 10.483 3.355 -4.124 1.00 0.00 N ATOM 605 CA ASP A 41 10.726 3.629 -5.546 1.00 0.00 C ATOM 606 C ASP A 41 10.681 2.303 -6.344 1.00 0.00 C ATOM 607 O ASP A 41 11.566 2.047 -7.152 1.00 0.00 O ATOM 608 CB ASP A 41 12.071 4.370 -5.709 1.00 0.00 C ATOM 609 CG ASP A 41 12.248 5.081 -7.059 1.00 0.00 C ATOM 610 OD1 ASP A 41 13.414 5.324 -7.455 1.00 0.00 O ATOM 611 OD2 ASP A 41 11.211 5.408 -7.677 1.00 0.00 O ATOM 0 H ASP A 41 10.838 2.440 -3.845 1.00 0.00 H new ATOM 0 HA ASP A 41 9.947 4.278 -5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.165 5.106 -4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.883 3.655 -5.580 1.00 0.00 H new ATOM 616 N GLY A 42 9.664 1.477 -6.098 1.00 0.00 N ATOM 617 CA GLY A 42 9.523 0.146 -6.696 1.00 0.00 C ATOM 618 C GLY A 42 8.339 0.045 -7.657 1.00 0.00 C ATOM 619 O GLY A 42 8.122 0.938 -8.467 1.00 0.00 O ATOM 0 H GLY A 42 8.900 1.717 -5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.439 -0.105 -7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.404 -0.592 -5.903 1.00 0.00 H new ATOM 623 N GLU A 43 7.591 -1.052 -7.552 1.00 0.00 N ATOM 624 CA GLU A 43 6.448 -1.397 -8.399 1.00 0.00 C ATOM 625 C GLU A 43 5.414 -2.160 -7.550 1.00 0.00 C ATOM 626 O GLU A 43 5.789 -2.796 -6.570 1.00 0.00 O ATOM 627 CB GLU A 43 6.945 -2.215 -9.610 1.00 0.00 C ATOM 628 CG GLU A 43 7.415 -3.631 -9.248 1.00 0.00 C ATOM 629 CD GLU A 43 7.970 -4.366 -10.466 1.00 0.00 C ATOM 630 OE1 GLU A 43 7.201 -5.156 -11.056 1.00 0.00 O ATOM 631 OE2 GLU A 43 9.147 -4.111 -10.797 1.00 0.00 O ATOM 0 H GLU A 43 7.773 -1.759 -6.840 1.00 0.00 H new ATOM 0 HA GLU A 43 5.960 -0.504 -8.790 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.142 -2.285 -10.344 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.767 -1.680 -10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.182 -3.574 -8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.582 -4.196 -8.829 1.00 0.00 H new ATOM 638 N TRP A 44 4.132 -2.067 -7.907 1.00 0.00 N ATOM 639 CA TRP A 44 3.002 -2.358 -7.021 1.00 0.00 C ATOM 640 C TRP A 44 2.122 -3.492 -7.576 1.00 0.00 C ATOM 641 O TRP A 44 1.752 -3.463 -8.747 1.00 0.00 O ATOM 642 CB TRP A 44 2.193 -1.072 -6.785 1.00 0.00 C ATOM 643 CG TRP A 44 2.800 -0.116 -5.804 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.039 0.416 -5.884 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.192 0.465 -4.608 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.241 1.282 -4.829 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.132 1.359 -4.011 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.937 0.337 -3.974 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.841 2.091 -2.851 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.634 1.067 -2.808 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.582 1.942 -2.247 1.00 0.00 C ATOM 0 H TRP A 44 3.843 -1.780 -8.842 1.00 0.00 H new ATOM 0 HA TRP A 44 3.387 -2.710 -6.064 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.066 -0.560 -7.739 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.197 -1.345 -6.435 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.762 0.197 -6.656 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.105 1.802 -4.673 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.197 -0.331 -4.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.575 2.760 -2.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.333 0.954 -2.341 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.342 2.498 -1.353 1.00 0.00 H new ATOM 662 N THR A 45 1.790 -4.470 -6.727 1.00 0.00 N ATOM 663 CA THR A 45 1.027 -5.682 -7.069 1.00 0.00 C ATOM 664 C THR A 45 -0.132 -5.859 -6.090 1.00 0.00 C ATOM 665 O THR A 45 0.054 -5.766 -4.883 1.00 0.00 O ATOM 666 CB THR A 45 1.931 -6.926 -7.072 1.00 0.00 C ATOM 667 OG1 THR A 45 2.878 -6.826 -8.108 1.00 0.00 O ATOM 668 CG2 THR A 45 1.147 -8.223 -7.269 1.00 0.00 C ATOM 0 H THR A 45 2.055 -4.441 -5.742 1.00 0.00 H new ATOM 0 HA THR A 45 0.626 -5.564 -8.076 1.00 0.00 H new ATOM 0 HB THR A 45 2.415 -6.961 -6.096 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.452 -7.620 -8.104 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.835 -9.068 -7.263 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.424 -8.337 -6.461 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.622 -8.189 -8.224 1.00 0.00 H new ATOM 676 N TYR A 46 -1.332 -6.101 -6.620 1.00 0.00 N ATOM 677 CA TYR A 46 -2.564 -6.253 -5.838 1.00 0.00 C ATOM 678 C TYR A 46 -3.015 -7.726 -5.764 1.00 0.00 C ATOM 679 O TYR A 46 -2.953 -8.413 -6.776 1.00 0.00 O ATOM 680 CB TYR A 46 -3.663 -5.358 -6.438 1.00 0.00 C ATOM 681 CG TYR A 46 -4.995 -5.452 -5.717 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.101 -5.064 -4.367 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.140 -5.877 -6.420 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.348 -5.110 -3.715 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.398 -5.916 -5.785 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.499 -5.539 -4.422 1.00 0.00 C ATOM 687 OH TYR A 46 -8.705 -5.579 -3.799 1.00 0.00 O ATOM 0 H TYR A 46 -1.480 -6.199 -7.624 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.369 -5.937 -4.813 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.324 -4.322 -6.421 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.807 -5.629 -7.484 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.224 -4.731 -3.831 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.053 -6.175 -7.454 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.427 -4.819 -2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.275 -6.230 -6.331 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.147 -6.431 -3.997 1.00 0.00 H new ATOM 697 N ASP A 47 -3.462 -8.164 -4.589 1.00 0.00 N ATOM 698 CA ASP A 47 -4.102 -9.459 -4.321 1.00 0.00 C ATOM 699 C ASP A 47 -5.346 -9.248 -3.427 1.00 0.00 C ATOM 700 O ASP A 47 -5.209 -8.654 -2.366 1.00 0.00 O ATOM 701 CB ASP A 47 -3.075 -10.423 -3.685 1.00 0.00 C ATOM 702 CG ASP A 47 -2.040 -10.991 -4.670 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.370 -12.003 -5.326 1.00 0.00 O ATOM 704 OD2 ASP A 47 -0.944 -10.394 -4.790 1.00 0.00 O ATOM 0 H ASP A 47 -3.385 -7.594 -3.746 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.443 -9.913 -5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.549 -9.899 -2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.611 -11.252 -3.223 1.00 0.00 H new ATOM 709 N ASP A 48 -6.508 -9.718 -3.877 1.00 0.00 N ATOM 710 CA ASP A 48 -7.836 -9.469 -3.300 1.00 0.00 C ATOM 711 C ASP A 48 -8.014 -10.323 -2.021 1.00 0.00 C ATOM 712 O ASP A 48 -8.968 -10.114 -1.282 1.00 0.00 O ATOM 713 CB ASP A 48 -8.924 -9.760 -4.360 1.00 0.00 C ATOM 714 CG ASP A 48 -10.334 -9.288 -3.970 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.202 -10.158 -3.718 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.546 -8.057 -3.961 1.00 0.00 O ATOM 0 H ASP A 48 -6.555 -10.317 -4.701 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.934 -8.423 -3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.639 -9.280 -5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.953 -10.833 -4.548 1.00 0.00 H new ATOM 721 N ALA A 49 -7.107 -11.271 -1.788 1.00 0.00 N ATOM 722 CA ALA A 49 -7.177 -12.258 -0.708 1.00 0.00 C ATOM 723 C ALA A 49 -7.466 -11.567 0.638 1.00 0.00 C ATOM 724 O ALA A 49 -8.418 -11.938 1.322 1.00 0.00 O ATOM 725 CB ALA A 49 -5.863 -13.057 -0.671 1.00 0.00 C ATOM 0 H ALA A 49 -6.273 -11.378 -2.366 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.998 -12.951 -0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.908 -13.794 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.720 -13.566 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.029 -12.378 -0.493 1.00 0.00 H new ATOM 731 N THR A 50 -6.655 -10.567 0.995 1.00 0.00 N ATOM 732 CA THR A 50 -6.932 -9.565 2.034 1.00 0.00 C ATOM 733 C THR A 50 -6.839 -8.159 1.440 1.00 0.00 C ATOM 734 O THR A 50 -6.513 -7.201 2.130 1.00 0.00 O ATOM 735 CB THR A 50 -5.969 -9.714 3.224 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.054 -8.582 4.055 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.513 -9.874 2.789 1.00 0.00 C ATOM 0 H THR A 50 -5.748 -10.426 0.550 1.00 0.00 H new ATOM 0 HA THR A 50 -7.944 -9.728 2.406 1.00 0.00 H new ATOM 0 HB THR A 50 -6.271 -10.617 3.754 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.772 -7.787 3.555 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.879 -9.975 3.670 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.415 -10.764 2.167 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.205 -8.997 2.219 1.00 0.00 H new ATOM 745 N LYS A 51 -7.112 -8.040 0.136 1.00 0.00 N ATOM 746 CA LYS A 51 -6.991 -6.766 -0.597 1.00 0.00 C ATOM 747 C LYS A 51 -5.638 -6.051 -0.373 1.00 0.00 C ATOM 748 O LYS A 51 -5.624 -4.844 -0.146 1.00 0.00 O ATOM 749 CB LYS A 51 -8.223 -5.888 -0.273 1.00 0.00 C ATOM 750 CG LYS A 51 -9.546 -6.614 -0.564 1.00 0.00 C ATOM 751 CD LYS A 51 -10.746 -5.804 -0.058 1.00 0.00 C ATOM 752 CE LYS A 51 -12.045 -6.532 -0.426 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.280 -6.537 -1.893 1.00 0.00 N ATOM 0 H LYS A 51 -7.423 -8.820 -0.444 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.987 -6.975 -1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.194 -5.597 0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.177 -4.970 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.643 -6.782 -1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.538 -7.594 -0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.682 -5.675 1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.738 -4.807 -0.499 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.002 -7.558 -0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.885 -6.051 0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.257 -6.836 -2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.129 -5.580 -2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.619 -7.198 -2.348 1.00 0.00 H new ATOM 767 N THR A 52 -4.534 -6.805 -0.402 1.00 0.00 N ATOM 768 CA THR A 52 -3.183 -6.362 -0.019 1.00 0.00 C ATOM 769 C THR A 52 -2.447 -5.817 -1.240 1.00 0.00 C ATOM 770 O THR A 52 -2.648 -6.299 -2.349 1.00 0.00 O ATOM 771 CB THR A 52 -2.386 -7.509 0.627 1.00 0.00 C ATOM 772 OG1 THR A 52 -1.247 -6.995 1.274 1.00 0.00 O ATOM 773 CG2 THR A 52 -1.924 -8.553 -0.389 1.00 0.00 C ATOM 0 H THR A 52 -4.555 -7.779 -0.704 1.00 0.00 H new ATOM 0 HA THR A 52 -3.278 -5.567 0.720 1.00 0.00 H new ATOM 0 HB THR A 52 -3.059 -7.993 1.335 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.745 -7.729 1.685 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.367 -9.338 0.123 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.792 -8.988 -0.884 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.283 -8.079 -1.132 1.00 0.00 H new ATOM 781 N PHE A 53 -1.608 -4.802 -1.029 1.00 0.00 N ATOM 782 CA PHE A 53 -0.673 -4.271 -2.024 1.00 0.00 C ATOM 783 C PHE A 53 0.784 -4.545 -1.607 1.00 0.00 C ATOM 784 O PHE A 53 1.225 -4.047 -0.574 1.00 0.00 O ATOM 785 CB PHE A 53 -0.941 -2.768 -2.231 1.00 0.00 C ATOM 786 CG PHE A 53 -2.269 -2.460 -2.892 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.339 -2.214 -4.277 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.448 -2.459 -2.121 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.583 -1.971 -4.887 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.690 -2.214 -2.734 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.757 -1.972 -4.115 1.00 0.00 C ATOM 0 H PHE A 53 -1.558 -4.312 -0.136 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.829 -4.779 -2.976 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.904 -2.267 -1.264 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.139 -2.348 -2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.437 -2.212 -4.871 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.398 -2.646 -1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.636 -1.784 -5.949 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.593 -2.212 -2.142 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.712 -1.786 -4.585 1.00 0.00 H new ATOM 801 N THR A 54 1.512 -5.322 -2.415 1.00 0.00 N ATOM 802 CA THR A 54 2.904 -5.737 -2.183 1.00 0.00 C ATOM 803 C THR A 54 3.840 -4.952 -3.100 1.00 0.00 C ATOM 804 O THR A 54 3.616 -4.895 -4.301 1.00 0.00 O ATOM 805 CB THR A 54 3.078 -7.249 -2.397 1.00 0.00 C ATOM 806 OG1 THR A 54 2.379 -7.654 -3.549 1.00 0.00 O ATOM 807 CG2 THR A 54 2.565 -8.075 -1.217 1.00 0.00 C ATOM 0 H THR A 54 1.134 -5.696 -3.286 1.00 0.00 H new ATOM 0 HA THR A 54 3.159 -5.520 -1.146 1.00 0.00 H new ATOM 0 HB THR A 54 4.149 -7.425 -2.501 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.495 -8.618 -3.680 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.713 -9.135 -1.423 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.113 -7.801 -0.315 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.503 -7.879 -1.070 1.00 0.00 H new ATOM 815 N VAL A 55 4.873 -4.342 -2.518 1.00 0.00 N ATOM 816 CA VAL A 55 5.886 -3.521 -3.203 1.00 0.00 C ATOM 817 C VAL A 55 7.214 -4.289 -3.229 1.00 0.00 C ATOM 818 O VAL A 55 7.620 -4.829 -2.203 1.00 0.00 O ATOM 819 CB VAL A 55 6.025 -2.119 -2.548 1.00 0.00 C ATOM 820 CG1 VAL A 55 7.305 -1.377 -2.976 1.00 0.00 C ATOM 821 CG2 VAL A 55 4.798 -1.231 -2.818 1.00 0.00 C ATOM 0 H VAL A 55 5.038 -4.406 -1.514 1.00 0.00 H new ATOM 0 HA VAL A 55 5.570 -3.337 -4.230 1.00 0.00 H new ATOM 0 HB VAL A 55 6.093 -2.311 -1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.344 -0.405 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.178 -1.963 -2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.300 -1.237 -4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.939 -0.261 -2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.678 -1.093 -3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.907 -1.709 -2.412 1.00 0.00 H new ATOM 831 N THR A 56 7.860 -4.355 -4.398 1.00 0.00 N ATOM 832 CA THR A 56 9.237 -4.834 -4.591 1.00 0.00 C ATOM 833 C THR A 56 10.089 -3.732 -5.216 1.00 0.00 C ATOM 834 O THR A 56 9.772 -3.307 -6.324 1.00 0.00 O ATOM 835 CB THR A 56 9.269 -6.104 -5.461 1.00 0.00 C ATOM 836 OG1 THR A 56 8.551 -7.135 -4.827 1.00 0.00 O ATOM 837 CG2 THR A 56 10.690 -6.606 -5.721 1.00 0.00 C ATOM 0 H THR A 56 7.422 -4.065 -5.272 1.00 0.00 H new ATOM 0 HA THR A 56 9.650 -5.092 -3.616 1.00 0.00 H new ATOM 0 HB THR A 56 8.819 -5.837 -6.417 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.573 -7.940 -5.385 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.652 -7.503 -6.339 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.260 -5.834 -6.237 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.173 -6.840 -4.772 1.00 0.00 H new ATOM 845 N GLU A 57 11.122 -3.294 -4.497 1.00 0.00 N ATOM 846 CA GLU A 57 12.174 -2.338 -4.883 1.00 0.00 C ATOM 847 C GLU A 57 13.401 -3.126 -5.384 1.00 0.00 C ATOM 848 O GLU A 57 13.890 -2.778 -6.488 1.00 0.00 O ATOM 849 CB GLU A 57 12.488 -1.421 -3.677 1.00 0.00 C ATOM 850 CG GLU A 57 13.300 -0.158 -4.020 1.00 0.00 C ATOM 851 CD GLU A 57 14.114 0.368 -2.813 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.574 1.211 -2.056 1.00 0.00 O ATOM 853 OE2 GLU A 57 15.286 -0.050 -2.648 1.00 0.00 O ATOM 0 H GLU A 57 11.262 -3.626 -3.543 1.00 0.00 H new ATOM 0 HA GLU A 57 11.850 -1.692 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.549 -1.118 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.037 -1.998 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.979 -0.379 -4.844 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.623 0.623 -4.366 1.00 0.00 H new