USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 437 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 9 ASN : amide:sc= 0.178 K(o=-0.38,f=0.85) USER MOD Set 1.2: A 56 THR OG1 : rot -166:sc= -0.558 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= -0.118 USER MOD Set 3.1: A 45 THR OG1 : rot -4:sc= -0.294! USER MOD Set 3.2: A 54 THR OG1 : rot 155:sc= 0.403 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00744) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00963 USER MOD Single : A 5 LYS NZ :NH3+ -171:sc= 0.297 (180deg=0.263) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= -0.0631 (180deg=-0.845) USER MOD Single : A 12 THR OG1 : rot -106:sc= 0.0909 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 22:sc= 0.431 USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= -0.155 (180deg=-1.28!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 34 TYR OH : rot 180:sc= -2.79! USER MOD Single : A 36 ASN : amide:sc= 0.407 X(o=0.41,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.623 X(o=-0.62,f=-0.69) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.295 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.148 -13.131 8.849 1.00 0.00 N ATOM 2 CA MET A 1 -1.671 -14.019 7.771 1.00 0.00 C ATOM 3 C MET A 1 -1.818 -13.232 6.466 1.00 0.00 C ATOM 4 O MET A 1 -1.445 -13.699 5.406 1.00 0.00 O ATOM 5 CB MET A 1 -3.039 -14.493 8.274 1.00 0.00 C ATOM 6 CG MET A 1 -3.183 -15.998 8.038 1.00 0.00 C ATOM 7 SD MET A 1 -2.541 -16.897 9.471 1.00 0.00 S ATOM 8 CE MET A 1 -2.070 -18.410 8.598 1.00 0.00 C ATOM 0 H1 MET A 1 -1.004 -13.686 9.717 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.243 -12.716 8.549 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.832 -12.370 9.035 1.00 0.00 H new ATOM 0 HA MET A 1 -1.004 -14.856 7.563 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.144 -14.270 9.336 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.834 -13.956 7.756 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.230 -16.253 7.875 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.640 -16.290 7.139 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.642 -19.120 9.306 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.951 -18.850 8.131 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.333 -18.173 7.831 1.00 0.00 H new ATOM 20 N THR A 2 -2.356 -12.041 6.539 1.00 0.00 N ATOM 21 CA THR A 2 -2.530 -11.215 5.308 1.00 0.00 C ATOM 22 C THR A 2 -1.663 -9.955 5.390 1.00 0.00 C ATOM 23 O THR A 2 -2.149 -8.846 5.262 1.00 0.00 O ATOM 24 CB THR A 2 -4.015 -10.848 5.284 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.795 -12.035 5.309 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.325 -10.057 4.012 1.00 0.00 C ATOM 0 H THR A 2 -2.683 -11.605 7.401 1.00 0.00 H new ATOM 0 HA THR A 2 -2.229 -11.747 4.406 1.00 0.00 H new ATOM 0 HB THR A 2 -4.254 -10.238 6.155 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.747 -11.801 5.295 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.383 -9.796 3.995 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.726 -9.147 3.995 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.087 -10.664 3.139 1.00 0.00 H new ATOM 34 N THR A 3 -0.382 -10.121 5.602 1.00 0.00 N ATOM 35 CA THR A 3 0.526 -8.937 5.693 1.00 0.00 C ATOM 36 C THR A 3 0.824 -8.391 4.295 1.00 0.00 C ATOM 37 O THR A 3 1.742 -8.833 3.630 1.00 0.00 O ATOM 38 CB THR A 3 1.806 -9.463 6.348 1.00 0.00 C ATOM 39 OG1 THR A 3 1.466 -10.346 7.408 1.00 0.00 O ATOM 40 CG2 THR A 3 2.614 -8.289 6.899 1.00 0.00 C ATOM 0 H THR A 3 0.075 -11.026 5.716 1.00 0.00 H new ATOM 0 HA THR A 3 0.083 -8.122 6.265 1.00 0.00 H new ATOM 0 HB THR A 3 2.402 -9.998 5.608 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.285 -10.685 7.827 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.526 -8.662 7.366 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.874 -7.612 6.085 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.020 -7.754 7.640 1.00 0.00 H new ATOM 48 N PHE A 4 0.052 -7.432 3.850 1.00 0.00 N ATOM 49 CA PHE A 4 0.282 -6.849 2.493 1.00 0.00 C ATOM 50 C PHE A 4 1.478 -5.897 2.522 1.00 0.00 C ATOM 51 O PHE A 4 1.711 -5.210 3.499 1.00 0.00 O ATOM 52 CB PHE A 4 -1.003 -6.088 2.161 1.00 0.00 C ATOM 53 CG PHE A 4 -1.985 -7.033 1.515 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.734 -7.532 0.233 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.144 -7.413 2.200 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.641 -8.412 -0.366 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.052 -8.293 1.601 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.802 -8.791 0.317 1.00 0.00 C ATOM 0 H PHE A 4 -0.728 -7.027 4.368 1.00 0.00 H new ATOM 0 HA PHE A 4 0.504 -7.614 1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.432 -5.662 3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.785 -5.257 1.491 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.839 -7.238 -0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.338 -7.028 3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.445 -8.799 -1.355 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.946 -8.588 2.130 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.505 -9.467 -0.146 1.00 0.00 H new ATOM 68 N LYS A 5 2.238 -5.857 1.458 1.00 0.00 N ATOM 69 CA LYS A 5 3.427 -4.955 1.415 1.00 0.00 C ATOM 70 C LYS A 5 3.147 -3.761 0.498 1.00 0.00 C ATOM 71 O LYS A 5 2.075 -3.639 -0.066 1.00 0.00 O ATOM 72 CB LYS A 5 4.564 -5.809 0.844 1.00 0.00 C ATOM 73 CG LYS A 5 4.776 -7.049 1.717 1.00 0.00 C ATOM 74 CD LYS A 5 6.233 -7.503 1.618 1.00 0.00 C ATOM 75 CE LYS A 5 6.467 -8.183 0.267 1.00 0.00 C ATOM 76 NZ LYS A 5 7.937 -8.405 0.197 1.00 0.00 N ATOM 0 H LYS A 5 2.086 -6.411 0.615 1.00 0.00 H new ATOM 0 HA LYS A 5 3.675 -4.557 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.327 -6.109 -0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.483 -5.224 0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.524 -6.824 2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.112 -7.851 1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.899 -6.647 1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.466 -8.193 2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.922 -9.125 0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.123 -7.556 -0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.195 -8.726 -0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.433 -7.516 0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.212 -9.129 0.891 1.00 0.00 H new ATOM 90 N LEU A 6 4.106 -2.884 0.344 1.00 0.00 N ATOM 91 CA LEU A 6 3.906 -1.695 -0.537 1.00 0.00 C ATOM 92 C LEU A 6 5.262 -1.146 -0.983 1.00 0.00 C ATOM 93 O LEU A 6 5.997 -0.574 -0.199 1.00 0.00 O ATOM 94 CB LEU A 6 3.161 -0.680 0.339 1.00 0.00 C ATOM 95 CG LEU A 6 2.932 0.627 -0.432 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.635 0.528 -1.238 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.829 1.790 0.561 1.00 0.00 C ATOM 0 H LEU A 6 5.021 -2.941 0.792 1.00 0.00 H new ATOM 0 HA LEU A 6 3.348 -1.929 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.204 -1.096 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.735 -0.480 1.244 1.00 0.00 H new ATOM 0 HG LEU A 6 3.767 0.799 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.474 1.457 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.707 -0.300 -1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.798 0.356 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.666 2.720 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.994 1.616 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.753 1.862 1.134 1.00 0.00 H new ATOM 109 N ILE A 7 5.586 -1.296 -2.241 1.00 0.00 N ATOM 110 CA ILE A 7 6.880 -0.768 -2.752 1.00 0.00 C ATOM 111 C ILE A 7 6.670 0.681 -3.170 1.00 0.00 C ATOM 112 O ILE A 7 5.790 0.977 -3.959 1.00 0.00 O ATOM 113 CB ILE A 7 7.232 -1.637 -3.963 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.342 -3.103 -3.535 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.572 -1.182 -4.547 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.246 -4.002 -4.769 1.00 0.00 C ATOM 0 H ILE A 7 5.006 -1.764 -2.937 1.00 0.00 H new ATOM 0 HA ILE A 7 7.679 -0.798 -2.011 1.00 0.00 H new ATOM 0 HB ILE A 7 6.449 -1.536 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.288 -3.273 -3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.547 -3.348 -2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.822 -1.801 -5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.498 -0.140 -4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.351 -1.281 -3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.324 -5.046 -4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.289 -3.839 -5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.056 -3.763 -5.457 1.00 0.00 H new ATOM 128 N ILE A 8 7.449 1.588 -2.641 1.00 0.00 N ATOM 129 CA ILE A 8 7.256 3.019 -3.015 1.00 0.00 C ATOM 130 C ILE A 8 8.115 3.357 -4.237 1.00 0.00 C ATOM 131 O ILE A 8 9.325 3.446 -4.144 1.00 0.00 O ATOM 132 CB ILE A 8 7.693 3.885 -1.824 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.212 3.295 -0.471 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.120 5.294 -2.022 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.693 3.428 -0.297 1.00 0.00 C ATOM 0 H ILE A 8 8.200 1.404 -1.976 1.00 0.00 H new ATOM 0 HA ILE A 8 6.211 3.207 -3.260 1.00 0.00 H new ATOM 0 HB ILE A 8 8.782 3.913 -1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.493 2.244 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.718 3.806 0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.418 5.928 -1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.502 5.715 -2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.032 5.241 -2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.398 3.003 0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.414 4.481 -0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.187 2.894 -1.101 1.00 0.00 H new ATOM 147 N ASN A 9 7.502 3.549 -5.376 1.00 0.00 N ATOM 148 CA ASN A 9 8.285 3.886 -6.603 1.00 0.00 C ATOM 149 C ASN A 9 8.373 5.406 -6.771 1.00 0.00 C ATOM 150 O ASN A 9 8.020 5.948 -7.801 1.00 0.00 O ATOM 151 CB ASN A 9 7.509 3.257 -7.760 1.00 0.00 C ATOM 152 CG ASN A 9 8.294 3.447 -9.059 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.334 2.849 -9.248 1.00 0.00 O ATOM 154 ND2 ASN A 9 7.837 4.263 -9.971 1.00 0.00 N ATOM 0 H ASN A 9 6.493 3.487 -5.510 1.00 0.00 H new ATOM 0 HA ASN A 9 9.308 3.513 -6.555 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.349 2.196 -7.571 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.525 3.718 -7.846 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.353 4.397 -10.840 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.964 4.766 -9.814 1.00 0.00 H new ATOM 161 N GLY A 10 8.844 6.094 -5.761 1.00 0.00 N ATOM 162 CA GLY A 10 8.961 7.580 -5.847 1.00 0.00 C ATOM 163 C GLY A 10 10.291 8.025 -5.235 1.00 0.00 C ATOM 164 O GLY A 10 11.335 7.481 -5.541 1.00 0.00 O ATOM 0 H GLY A 10 9.153 5.688 -4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.902 7.900 -6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.131 8.052 -5.321 1.00 0.00 H new ATOM 168 N LYS A 11 10.258 9.011 -4.375 1.00 0.00 N ATOM 169 CA LYS A 11 11.518 9.499 -3.737 1.00 0.00 C ATOM 170 C LYS A 11 11.227 10.061 -2.342 1.00 0.00 C ATOM 171 O LYS A 11 11.630 11.159 -2.010 1.00 0.00 O ATOM 172 CB LYS A 11 12.040 10.601 -4.668 1.00 0.00 C ATOM 173 CG LYS A 11 10.991 11.710 -4.813 1.00 0.00 C ATOM 174 CD LYS A 11 11.622 12.934 -5.486 1.00 0.00 C ATOM 175 CE LYS A 11 11.985 13.978 -4.425 1.00 0.00 C ATOM 176 NZ LYS A 11 13.376 13.641 -4.005 1.00 0.00 N ATOM 0 H LYS A 11 9.411 9.500 -4.087 1.00 0.00 H new ATOM 0 HA LYS A 11 12.248 8.700 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.966 11.016 -4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.274 10.181 -5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.149 11.352 -5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.599 11.983 -3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.514 12.638 -6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.927 13.362 -6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.930 14.988 -4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.298 13.936 -3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.837 14.489 -3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.349 12.899 -3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.914 13.300 -4.827 1.00 0.00 H new ATOM 190 N THR A 12 10.531 9.310 -1.525 1.00 0.00 N ATOM 191 CA THR A 12 10.209 9.790 -0.148 1.00 0.00 C ATOM 192 C THR A 12 10.368 8.647 0.859 1.00 0.00 C ATOM 193 O THR A 12 11.156 8.729 1.783 1.00 0.00 O ATOM 194 CB THR A 12 8.751 10.248 -0.216 1.00 0.00 C ATOM 195 OG1 THR A 12 7.997 9.316 -0.979 1.00 0.00 O ATOM 196 CG2 THR A 12 8.677 11.627 -0.871 1.00 0.00 C ATOM 0 H THR A 12 10.172 8.383 -1.754 1.00 0.00 H new ATOM 0 HA THR A 12 10.871 10.593 0.175 1.00 0.00 H new ATOM 0 HB THR A 12 8.341 10.306 0.792 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.791 9.702 -1.856 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.638 11.952 -0.919 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.254 12.341 -0.283 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.087 11.573 -1.880 1.00 0.00 H new ATOM 204 N LEU A 13 9.624 7.585 0.687 1.00 0.00 N ATOM 205 CA LEU A 13 9.723 6.431 1.631 1.00 0.00 C ATOM 206 C LEU A 13 10.684 5.375 1.082 1.00 0.00 C ATOM 207 O LEU A 13 11.624 4.974 1.741 1.00 0.00 O ATOM 208 CB LEU A 13 8.306 5.865 1.715 1.00 0.00 C ATOM 209 CG LEU A 13 7.482 6.686 2.706 1.00 0.00 C ATOM 210 CD1 LEU A 13 5.995 6.358 2.533 1.00 0.00 C ATOM 211 CD2 LEU A 13 7.922 6.350 4.133 1.00 0.00 C ATOM 0 H LEU A 13 8.950 7.467 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 13 10.104 6.732 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.837 5.886 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.339 4.822 2.030 1.00 0.00 H new ATOM 0 HG LEU A 13 7.639 7.748 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.408 6.944 3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.685 6.600 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.833 5.296 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.335 6.935 4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.765 5.288 4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.979 6.588 4.253 1.00 0.00 H new ATOM 223 N LYS A 14 10.449 4.916 -0.126 1.00 0.00 N ATOM 224 CA LYS A 14 11.336 3.873 -0.741 1.00 0.00 C ATOM 225 C LYS A 14 11.479 2.666 0.195 1.00 0.00 C ATOM 226 O LYS A 14 12.441 2.554 0.931 1.00 0.00 O ATOM 227 CB LYS A 14 12.690 4.558 -0.949 1.00 0.00 C ATOM 228 CG LYS A 14 12.596 5.528 -2.129 1.00 0.00 C ATOM 229 CD LYS A 14 13.957 5.626 -2.822 1.00 0.00 C ATOM 230 CE LYS A 14 13.753 5.873 -4.317 1.00 0.00 C ATOM 231 NZ LYS A 14 15.033 5.455 -4.955 1.00 0.00 N ATOM 0 H LYS A 14 9.675 5.221 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 14 10.926 3.496 -1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.980 5.095 -0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.462 3.812 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.841 5.185 -2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.282 6.512 -1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.541 6.436 -2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.522 4.707 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.913 5.295 -4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.536 6.922 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.970 5.595 -5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.814 6.027 -4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.210 4.450 -4.753 1.00 0.00 H new ATOM 245 N GLY A 15 10.527 1.768 0.169 1.00 0.00 N ATOM 246 CA GLY A 15 10.598 0.568 1.053 1.00 0.00 C ATOM 247 C GLY A 15 9.367 -0.311 0.827 1.00 0.00 C ATOM 248 O GLY A 15 8.626 -0.122 -0.120 1.00 0.00 O ATOM 0 H GLY A 15 9.702 1.816 -0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.505 0.002 0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.650 0.876 2.097 1.00 0.00 H new ATOM 252 N GLU A 16 9.148 -1.272 1.690 1.00 0.00 N ATOM 253 CA GLU A 16 7.967 -2.175 1.533 1.00 0.00 C ATOM 254 C GLU A 16 6.949 -1.927 2.649 1.00 0.00 C ATOM 255 O GLU A 16 5.775 -1.742 2.397 1.00 0.00 O ATOM 256 CB GLU A 16 8.538 -3.590 1.634 1.00 0.00 C ATOM 257 CG GLU A 16 9.289 -3.932 0.347 1.00 0.00 C ATOM 258 CD GLU A 16 10.356 -4.987 0.644 1.00 0.00 C ATOM 259 OE1 GLU A 16 10.001 -6.151 0.735 1.00 0.00 O ATOM 260 OE2 GLU A 16 11.511 -4.614 0.775 1.00 0.00 O ATOM 0 H GLU A 16 9.738 -1.470 2.498 1.00 0.00 H new ATOM 0 HA GLU A 16 7.445 -2.008 0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.210 -3.662 2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.734 -4.307 1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.593 -4.305 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.753 -3.036 -0.065 1.00 0.00 H new ATOM 267 N ILE A 17 7.390 -1.933 3.887 1.00 0.00 N ATOM 268 CA ILE A 17 6.451 -1.707 5.038 1.00 0.00 C ATOM 269 C ILE A 17 5.274 -2.689 4.962 1.00 0.00 C ATOM 270 O ILE A 17 4.213 -2.364 4.464 1.00 0.00 O ATOM 271 CB ILE A 17 5.963 -0.257 4.893 1.00 0.00 C ATOM 272 CG1 ILE A 17 7.165 0.701 4.934 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.995 0.081 6.032 1.00 0.00 C ATOM 274 CD1 ILE A 17 7.919 0.564 6.264 1.00 0.00 C ATOM 0 H ILE A 17 8.363 -2.085 4.152 1.00 0.00 H new ATOM 0 HA ILE A 17 6.937 -1.869 6.000 1.00 0.00 H new ATOM 0 HB ILE A 17 5.447 -0.147 3.939 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.838 0.485 4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.823 1.728 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.652 1.110 5.925 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.139 -0.593 5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.505 -0.034 6.989 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.766 1.250 6.274 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.248 0.804 7.089 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.279 -0.459 6.375 1.00 0.00 H new ATOM 286 N THR A 18 5.466 -3.889 5.444 1.00 0.00 N ATOM 287 CA THR A 18 4.374 -4.909 5.398 1.00 0.00 C ATOM 288 C THR A 18 3.328 -4.626 6.480 1.00 0.00 C ATOM 289 O THR A 18 3.659 -4.375 7.624 1.00 0.00 O ATOM 290 CB THR A 18 5.067 -6.252 5.663 1.00 0.00 C ATOM 291 OG1 THR A 18 5.651 -6.232 6.958 1.00 0.00 O ATOM 292 CG2 THR A 18 6.156 -6.498 4.614 1.00 0.00 C ATOM 0 H THR A 18 6.336 -4.209 5.870 1.00 0.00 H new ATOM 0 HA THR A 18 3.850 -4.900 4.442 1.00 0.00 H new ATOM 0 HB THR A 18 4.330 -7.053 5.604 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.205 -5.554 7.508 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.642 -7.454 4.811 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.707 -6.517 3.621 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.895 -5.698 4.663 1.00 0.00 H new ATOM 300 N ILE A 19 2.068 -4.676 6.126 1.00 0.00 N ATOM 301 CA ILE A 19 0.990 -4.422 7.135 1.00 0.00 C ATOM 302 C ILE A 19 -0.148 -5.433 6.962 1.00 0.00 C ATOM 303 O ILE A 19 -0.514 -5.785 5.857 1.00 0.00 O ATOM 304 CB ILE A 19 0.498 -2.989 6.874 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.069 -2.869 5.454 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.665 -2.013 7.037 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.584 -3.091 5.482 1.00 0.00 C ATOM 0 H ILE A 19 1.738 -4.881 5.183 1.00 0.00 H new ATOM 0 HA ILE A 19 1.356 -4.532 8.156 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.288 -2.751 7.590 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.156 -1.884 5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.404 -3.602 4.800 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.318 -0.996 6.852 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.059 -2.083 8.051 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.451 -2.263 6.324 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.983 -3.005 4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.799 -4.085 5.874 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.050 -2.341 6.121 1.00 0.00 H new ATOM 319 N GLU A 20 -0.705 -5.901 8.051 1.00 0.00 N ATOM 320 CA GLU A 20 -1.820 -6.891 7.964 1.00 0.00 C ATOM 321 C GLU A 20 -3.146 -6.176 7.692 1.00 0.00 C ATOM 322 O GLU A 20 -3.339 -5.042 8.085 1.00 0.00 O ATOM 323 CB GLU A 20 -1.851 -7.576 9.331 1.00 0.00 C ATOM 324 CG GLU A 20 -2.211 -9.052 9.156 1.00 0.00 C ATOM 325 CD GLU A 20 -3.728 -9.223 9.253 1.00 0.00 C ATOM 326 OE1 GLU A 20 -4.237 -9.207 10.361 1.00 0.00 O ATOM 327 OE2 GLU A 20 -4.354 -9.369 8.216 1.00 0.00 O ATOM 0 H GLU A 20 -0.434 -5.639 8.999 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.674 -7.605 7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.880 -7.483 9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.580 -7.087 9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.855 -9.412 8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.717 -9.651 9.921 1.00 0.00 H new ATOM 334 N ALA A 21 -4.057 -6.836 7.024 1.00 0.00 N ATOM 335 CA ALA A 21 -5.375 -6.204 6.721 1.00 0.00 C ATOM 336 C ALA A 21 -6.393 -7.272 6.310 1.00 0.00 C ATOM 337 O ALA A 21 -6.034 -8.375 5.946 1.00 0.00 O ATOM 338 CB ALA A 21 -5.098 -5.253 5.556 1.00 0.00 C ATOM 0 H ALA A 21 -3.944 -7.788 6.675 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.792 -5.684 7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.021 -4.747 5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.357 -4.513 5.859 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.719 -5.820 4.706 1.00 0.00 H new ATOM 344 N VAL A 22 -7.662 -6.949 6.371 1.00 0.00 N ATOM 345 CA VAL A 22 -8.720 -7.936 5.989 1.00 0.00 C ATOM 346 C VAL A 22 -8.470 -8.474 4.571 1.00 0.00 C ATOM 347 O VAL A 22 -8.650 -9.646 4.300 1.00 0.00 O ATOM 348 CB VAL A 22 -10.041 -7.155 6.055 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.003 -5.975 5.078 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.204 -8.082 5.690 1.00 0.00 C ATOM 0 H VAL A 22 -8.012 -6.039 6.671 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.730 -8.802 6.650 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.179 -6.776 7.068 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.944 -5.427 5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.181 -5.310 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.857 -6.347 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.141 -7.527 5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.060 -8.466 4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.240 -8.915 6.393 1.00 0.00 H new ATOM 360 N ASP A 23 -8.053 -7.619 3.675 1.00 0.00 N ATOM 361 CA ASP A 23 -7.781 -8.057 2.275 1.00 0.00 C ATOM 362 C ASP A 23 -6.842 -7.056 1.608 1.00 0.00 C ATOM 363 O ASP A 23 -6.494 -6.046 2.194 1.00 0.00 O ATOM 364 CB ASP A 23 -9.145 -8.059 1.585 1.00 0.00 C ATOM 365 CG ASP A 23 -9.846 -9.394 1.841 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.371 -10.397 1.333 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.847 -9.391 2.540 1.00 0.00 O ATOM 0 H ASP A 23 -7.888 -6.629 3.855 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.306 -9.037 2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.755 -7.238 1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.022 -7.900 0.514 1.00 0.00 H new ATOM 372 N ALA A 24 -6.424 -7.317 0.394 1.00 0.00 N ATOM 373 CA ALA A 24 -5.504 -6.362 -0.292 1.00 0.00 C ATOM 374 C ALA A 24 -6.211 -5.020 -0.483 1.00 0.00 C ATOM 375 O ALA A 24 -5.598 -3.972 -0.429 1.00 0.00 O ATOM 376 CB ALA A 24 -5.173 -6.992 -1.645 1.00 0.00 C ATOM 0 H ALA A 24 -6.678 -8.144 -0.147 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.598 -6.179 0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.499 -6.336 -2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.692 -7.958 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.091 -7.132 -2.216 1.00 0.00 H new ATOM 382 N ALA A 25 -7.507 -5.049 -0.694 1.00 0.00 N ATOM 383 CA ALA A 25 -8.274 -3.781 -0.876 1.00 0.00 C ATOM 384 C ALA A 25 -8.040 -2.856 0.320 1.00 0.00 C ATOM 385 O ALA A 25 -7.696 -1.701 0.166 1.00 0.00 O ATOM 386 CB ALA A 25 -9.745 -4.200 -0.949 1.00 0.00 C ATOM 0 H ALA A 25 -8.065 -5.901 -0.748 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.967 -3.239 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.369 -3.316 -1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.889 -4.877 -1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.026 -4.706 -0.025 1.00 0.00 H new ATOM 392 N GLU A 26 -8.204 -3.374 1.509 1.00 0.00 N ATOM 393 CA GLU A 26 -7.973 -2.546 2.731 1.00 0.00 C ATOM 394 C GLU A 26 -6.504 -2.126 2.787 1.00 0.00 C ATOM 395 O GLU A 26 -6.185 -0.989 3.075 1.00 0.00 O ATOM 396 CB GLU A 26 -8.323 -3.459 3.908 1.00 0.00 C ATOM 397 CG GLU A 26 -8.725 -2.608 5.113 1.00 0.00 C ATOM 398 CD GLU A 26 -10.214 -2.265 5.023 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.976 -3.126 4.616 1.00 0.00 O ATOM 400 OE2 GLU A 26 -10.566 -1.148 5.363 1.00 0.00 O ATOM 0 H GLU A 26 -8.489 -4.337 1.688 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.573 -1.636 2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.139 -4.127 3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.469 -4.087 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.521 -3.148 6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.132 -1.694 5.140 1.00 0.00 H new ATOM 407 N ALA A 27 -5.605 -3.037 2.496 1.00 0.00 N ATOM 408 CA ALA A 27 -4.143 -2.695 2.510 1.00 0.00 C ATOM 409 C ALA A 27 -3.886 -1.477 1.620 1.00 0.00 C ATOM 410 O ALA A 27 -3.193 -0.554 2.001 1.00 0.00 O ATOM 411 CB ALA A 27 -3.426 -3.923 1.943 1.00 0.00 C ATOM 0 H ALA A 27 -5.819 -4.003 2.249 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.791 -2.451 3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.351 -3.741 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.637 -4.789 2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.779 -4.115 0.930 1.00 0.00 H new ATOM 417 N GLU A 28 -4.463 -1.467 0.440 1.00 0.00 N ATOM 418 CA GLU A 28 -4.274 -0.302 -0.477 1.00 0.00 C ATOM 419 C GLU A 28 -4.766 0.972 0.213 1.00 0.00 C ATOM 420 O GLU A 28 -4.177 2.020 0.073 1.00 0.00 O ATOM 421 CB GLU A 28 -5.111 -0.611 -1.722 1.00 0.00 C ATOM 422 CG GLU A 28 -4.540 0.149 -2.924 1.00 0.00 C ATOM 423 CD GLU A 28 -5.676 0.516 -3.881 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.481 1.356 -3.517 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.721 -0.051 -4.960 1.00 0.00 O ATOM 0 H GLU A 28 -5.054 -2.214 0.076 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.228 -0.146 -0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.105 -1.683 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.149 -0.323 -1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.028 1.050 -2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.801 -0.465 -3.438 1.00 0.00 H new ATOM 432 N LYS A 29 -5.826 0.878 0.982 1.00 0.00 N ATOM 433 CA LYS A 29 -6.334 2.085 1.708 1.00 0.00 C ATOM 434 C LYS A 29 -5.308 2.484 2.769 1.00 0.00 C ATOM 435 O LYS A 29 -4.848 3.612 2.821 1.00 0.00 O ATOM 436 CB LYS A 29 -7.645 1.653 2.374 1.00 0.00 C ATOM 437 CG LYS A 29 -8.638 1.163 1.316 1.00 0.00 C ATOM 438 CD LYS A 29 -9.056 2.319 0.403 1.00 0.00 C ATOM 439 CE LYS A 29 -9.815 3.388 1.204 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.977 2.681 1.822 1.00 0.00 N ATOM 0 H LYS A 29 -6.358 0.022 1.137 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.493 2.936 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.451 0.860 3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.074 2.489 2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.185 0.368 0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.517 0.738 1.801 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.174 2.761 -0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.686 1.944 -0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.176 3.832 1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.149 4.199 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.751 3.357 1.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.301 1.925 1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.688 2.268 2.732 1.00 0.00 H new ATOM 454 N ILE A 30 -4.927 1.546 3.604 1.00 0.00 N ATOM 455 CA ILE A 30 -3.909 1.834 4.662 1.00 0.00 C ATOM 456 C ILE A 30 -2.626 2.350 4.000 1.00 0.00 C ATOM 457 O ILE A 30 -1.982 3.258 4.491 1.00 0.00 O ATOM 458 CB ILE A 30 -3.665 0.488 5.360 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.951 0.035 6.055 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.555 0.634 6.407 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.852 -1.454 6.395 1.00 0.00 C ATOM 0 H ILE A 30 -5.280 0.589 3.597 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.236 2.594 5.372 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.365 -0.249 4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.110 0.616 6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.809 0.215 5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.389 -0.325 6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.635 0.957 5.919 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.851 1.375 7.150 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.768 -1.776 6.890 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.714 -2.028 5.479 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.003 -1.620 7.059 1.00 0.00 H new ATOM 473 N PHE A 31 -2.275 1.783 2.876 1.00 0.00 N ATOM 474 CA PHE A 31 -1.055 2.240 2.153 1.00 0.00 C ATOM 475 C PHE A 31 -1.346 3.585 1.484 1.00 0.00 C ATOM 476 O PHE A 31 -0.490 4.442 1.387 1.00 0.00 O ATOM 477 CB PHE A 31 -0.776 1.159 1.105 1.00 0.00 C ATOM 478 CG PHE A 31 -0.040 0.004 1.742 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.126 0.236 2.481 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.521 -1.302 1.586 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.811 -0.836 3.064 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.164 -2.374 2.169 1.00 0.00 C ATOM 483 CZ PHE A 31 1.330 -2.142 2.907 1.00 0.00 C ATOM 0 H PHE A 31 -2.783 1.021 2.427 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.198 2.379 2.812 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.713 0.810 0.672 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.183 1.574 0.290 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.497 1.243 2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.420 -1.482 1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.710 -0.656 3.635 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.208 -3.381 2.049 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.859 -2.970 3.355 1.00 0.00 H new ATOM 493 N LYS A 32 -2.561 3.769 1.028 1.00 0.00 N ATOM 494 CA LYS A 32 -2.942 5.049 0.368 1.00 0.00 C ATOM 495 C LYS A 32 -3.120 6.174 1.398 1.00 0.00 C ATOM 496 O LYS A 32 -3.328 7.317 1.036 1.00 0.00 O ATOM 497 CB LYS A 32 -4.259 4.769 -0.351 1.00 0.00 C ATOM 498 CG LYS A 32 -3.966 4.079 -1.683 1.00 0.00 C ATOM 499 CD LYS A 32 -3.659 5.131 -2.750 1.00 0.00 C ATOM 500 CE LYS A 32 -4.929 5.923 -3.071 1.00 0.00 C ATOM 501 NZ LYS A 32 -4.606 6.674 -4.316 1.00 0.00 N ATOM 0 H LYS A 32 -3.309 3.078 1.087 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.166 5.382 -0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.898 4.138 0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.800 5.700 -0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.120 3.400 -1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.822 3.476 -1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.878 5.804 -2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.281 4.649 -3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.781 5.260 -3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.189 6.600 -2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.429 7.243 -4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.795 7.301 -4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.369 6.003 -5.074 1.00 0.00 H new ATOM 515 N GLN A 33 -2.990 5.875 2.669 1.00 0.00 N ATOM 516 CA GLN A 33 -3.097 6.948 3.708 1.00 0.00 C ATOM 517 C GLN A 33 -1.673 7.185 4.177 1.00 0.00 C ATOM 518 O GLN A 33 -1.179 8.293 4.245 1.00 0.00 O ATOM 519 CB GLN A 33 -3.964 6.365 4.825 1.00 0.00 C ATOM 520 CG GLN A 33 -4.232 7.441 5.879 1.00 0.00 C ATOM 521 CD GLN A 33 -5.500 7.091 6.659 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.777 5.934 6.905 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.288 8.050 7.063 1.00 0.00 N ATOM 0 H GLN A 33 -2.815 4.937 3.031 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.537 7.884 3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.906 6.000 4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.462 5.511 5.281 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.384 7.517 6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.345 8.414 5.400 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.056 9.022 6.857 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.136 7.828 7.585 1.00 0.00 H new ATOM 532 N TYR A 34 -1.002 6.096 4.415 1.00 0.00 N ATOM 533 CA TYR A 34 0.437 6.106 4.796 1.00 0.00 C ATOM 534 C TYR A 34 1.216 6.972 3.779 1.00 0.00 C ATOM 535 O TYR A 34 2.181 7.634 4.107 1.00 0.00 O ATOM 536 CB TYR A 34 0.778 4.606 4.683 1.00 0.00 C ATOM 537 CG TYR A 34 2.253 4.367 4.420 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.201 4.691 5.397 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.665 3.815 3.200 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.561 4.463 5.155 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.025 3.590 2.958 1.00 0.00 C ATOM 542 CZ TYR A 34 4.973 3.914 3.936 1.00 0.00 C ATOM 543 OH TYR A 34 6.315 3.691 3.698 1.00 0.00 O ATOM 0 H TYR A 34 -1.408 5.162 4.359 1.00 0.00 H new ATOM 0 HA TYR A 34 0.677 6.522 5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.489 4.100 5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.192 4.162 3.878 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.884 5.117 6.337 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.933 3.563 2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.292 4.711 5.910 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.343 3.166 2.017 1.00 0.00 H new ATOM 0 HH TYR A 34 6.429 3.305 2.805 1.00 0.00 H new ATOM 553 N ALA A 35 0.765 6.970 2.549 1.00 0.00 N ATOM 554 CA ALA A 35 1.420 7.787 1.483 1.00 0.00 C ATOM 555 C ALA A 35 1.249 9.275 1.809 1.00 0.00 C ATOM 556 O ALA A 35 2.202 9.992 2.042 1.00 0.00 O ATOM 557 CB ALA A 35 0.649 7.457 0.200 1.00 0.00 C ATOM 0 H ALA A 35 -0.041 6.429 2.235 1.00 0.00 H new ATOM 0 HA ALA A 35 2.486 7.576 1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.071 8.020 -0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.727 6.390 -0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.400 7.727 0.326 1.00 0.00 H new ATOM 563 N ASN A 36 0.020 9.729 1.817 1.00 0.00 N ATOM 564 CA ASN A 36 -0.270 11.168 2.116 1.00 0.00 C ATOM 565 C ASN A 36 0.329 11.577 3.460 1.00 0.00 C ATOM 566 O ASN A 36 0.882 12.652 3.601 1.00 0.00 O ATOM 567 CB ASN A 36 -1.794 11.260 2.177 1.00 0.00 C ATOM 568 CG ASN A 36 -2.372 11.149 0.766 1.00 0.00 C ATOM 569 OD1 ASN A 36 -2.539 12.144 0.087 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.686 9.975 0.292 1.00 0.00 N ATOM 0 H ASN A 36 -0.804 9.159 1.627 1.00 0.00 H new ATOM 0 HA ASN A 36 0.160 11.829 1.363 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.191 10.464 2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.093 12.205 2.630 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.072 9.891 -0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.546 9.141 0.862 1.00 0.00 H new ATOM 577 N ASP A 37 0.219 10.726 4.452 1.00 0.00 N ATOM 578 CA ASP A 37 0.779 11.052 5.807 1.00 0.00 C ATOM 579 C ASP A 37 2.227 11.539 5.698 1.00 0.00 C ATOM 580 O ASP A 37 2.704 12.298 6.520 1.00 0.00 O ATOM 581 CB ASP A 37 0.709 9.744 6.598 1.00 0.00 C ATOM 582 CG ASP A 37 0.277 10.035 8.038 1.00 0.00 C ATOM 583 OD1 ASP A 37 -0.911 10.210 8.255 1.00 0.00 O ATOM 584 OD2 ASP A 37 1.141 10.080 8.897 1.00 0.00 O ATOM 0 H ASP A 37 -0.236 9.816 4.383 1.00 0.00 H new ATOM 0 HA ASP A 37 0.220 11.852 6.292 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.003 9.060 6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.681 9.252 6.592 1.00 0.00 H new ATOM 589 N ASN A 38 2.914 11.110 4.678 1.00 0.00 N ATOM 590 CA ASN A 38 4.321 11.538 4.480 1.00 0.00 C ATOM 591 C ASN A 38 4.407 12.544 3.326 1.00 0.00 C ATOM 592 O ASN A 38 4.900 13.644 3.481 1.00 0.00 O ATOM 593 CB ASN A 38 5.085 10.258 4.139 1.00 0.00 C ATOM 594 CG ASN A 38 5.595 9.610 5.428 1.00 0.00 C ATOM 595 OD1 ASN A 38 4.848 9.432 6.370 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.846 9.249 5.512 1.00 0.00 N ATOM 0 H ASN A 38 2.555 10.474 3.966 1.00 0.00 H new ATOM 0 HA ASN A 38 4.732 12.030 5.362 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.435 9.566 3.604 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.921 10.486 3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.196 8.818 6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.474 9.398 4.722 1.00 0.00 H new ATOM 603 N GLY A 39 3.933 12.162 2.168 1.00 0.00 N ATOM 604 CA GLY A 39 3.976 13.068 0.986 1.00 0.00 C ATOM 605 C GLY A 39 4.172 12.209 -0.259 1.00 0.00 C ATOM 606 O GLY A 39 5.175 12.297 -0.939 1.00 0.00 O ATOM 0 H GLY A 39 3.513 11.249 1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.052 13.642 0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.790 13.786 1.086 1.00 0.00 H new ATOM 610 N ILE A 40 3.234 11.342 -0.525 1.00 0.00 N ATOM 611 CA ILE A 40 3.353 10.419 -1.683 1.00 0.00 C ATOM 612 C ILE A 40 2.212 10.681 -2.677 1.00 0.00 C ATOM 613 O ILE A 40 1.069 10.831 -2.287 1.00 0.00 O ATOM 614 CB ILE A 40 3.206 9.069 -0.994 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.400 8.874 -0.004 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.085 7.933 -2.024 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.356 7.771 -0.451 1.00 0.00 C ATOM 0 H ILE A 40 2.379 11.235 0.020 1.00 0.00 H new ATOM 0 HA ILE A 40 4.269 10.513 -2.266 1.00 0.00 H new ATOM 0 HB ILE A 40 2.282 9.041 -0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.949 9.811 0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.012 8.635 0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.981 6.980 -1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.209 8.102 -2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.979 7.911 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.167 7.677 0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.816 6.826 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.768 8.021 -1.428 1.00 0.00 H new ATOM 629 N ASP A 41 2.512 10.745 -3.952 1.00 0.00 N ATOM 630 CA ASP A 41 1.435 11.005 -4.958 1.00 0.00 C ATOM 631 C ASP A 41 1.930 10.732 -6.383 1.00 0.00 C ATOM 632 O ASP A 41 2.690 11.498 -6.943 1.00 0.00 O ATOM 633 CB ASP A 41 1.088 12.484 -4.790 1.00 0.00 C ATOM 634 CG ASP A 41 -0.416 12.682 -4.995 1.00 0.00 C ATOM 635 OD1 ASP A 41 -0.863 12.552 -6.122 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.094 12.961 -4.019 1.00 0.00 O ATOM 0 H ASP A 41 3.449 10.629 -4.337 1.00 0.00 H new ATOM 0 HA ASP A 41 0.574 10.355 -4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.379 12.826 -3.797 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.646 13.083 -5.509 1.00 0.00 H new ATOM 641 N GLY A 42 1.491 9.649 -6.970 1.00 0.00 N ATOM 642 CA GLY A 42 1.911 9.312 -8.362 1.00 0.00 C ATOM 643 C GLY A 42 0.982 8.230 -8.919 1.00 0.00 C ATOM 644 O GLY A 42 -0.168 8.487 -9.225 1.00 0.00 O ATOM 0 H GLY A 42 0.854 8.978 -6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.873 10.201 -8.992 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.943 8.961 -8.369 1.00 0.00 H new ATOM 648 N GLU A 43 1.469 7.021 -9.045 1.00 0.00 N ATOM 649 CA GLU A 43 0.614 5.912 -9.577 1.00 0.00 C ATOM 650 C GLU A 43 0.407 4.840 -8.499 1.00 0.00 C ATOM 651 O GLU A 43 0.960 4.926 -7.427 1.00 0.00 O ATOM 652 CB GLU A 43 1.391 5.343 -10.763 1.00 0.00 C ATOM 653 CG GLU A 43 0.412 4.892 -11.848 1.00 0.00 C ATOM 654 CD GLU A 43 1.098 4.954 -13.214 1.00 0.00 C ATOM 655 OE1 GLU A 43 1.768 3.995 -13.563 1.00 0.00 O ATOM 656 OE2 GLU A 43 0.944 5.959 -13.888 1.00 0.00 O ATOM 0 H GLU A 43 2.423 6.752 -8.803 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.376 6.259 -9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.070 6.097 -11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.004 4.502 -10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.072 3.876 -11.646 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.471 5.531 -11.844 1.00 0.00 H new ATOM 663 N TRP A 44 -0.386 3.834 -8.786 1.00 0.00 N ATOM 664 CA TRP A 44 -0.641 2.743 -7.785 1.00 0.00 C ATOM 665 C TRP A 44 -0.960 1.439 -8.509 1.00 0.00 C ATOM 666 O TRP A 44 -1.815 1.395 -9.375 1.00 0.00 O ATOM 667 CB TRP A 44 -1.869 3.196 -6.993 1.00 0.00 C ATOM 668 CG TRP A 44 -1.450 4.072 -5.865 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.269 5.411 -5.934 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.168 3.688 -4.495 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.883 5.870 -4.689 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.805 4.844 -3.767 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.188 2.455 -3.824 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.474 4.781 -2.416 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.855 2.387 -2.461 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.497 3.549 -1.760 1.00 0.00 C ATOM 0 H TRP A 44 -0.871 3.720 -9.676 1.00 0.00 H new ATOM 0 HA TRP A 44 0.224 2.571 -7.145 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.556 3.734 -7.647 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.406 2.328 -6.611 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.404 6.020 -6.816 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.680 6.847 -4.477 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.460 1.556 -4.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.202 5.678 -1.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.875 1.436 -1.950 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.239 3.490 -0.713 1.00 0.00 H new ATOM 687 N THR A 45 -0.288 0.377 -8.155 1.00 0.00 N ATOM 688 CA THR A 45 -0.562 -0.936 -8.820 1.00 0.00 C ATOM 689 C THR A 45 -0.505 -2.046 -7.783 1.00 0.00 C ATOM 690 O THR A 45 0.402 -2.098 -6.977 1.00 0.00 O ATOM 691 CB THR A 45 0.535 -1.142 -9.880 1.00 0.00 C ATOM 692 OG1 THR A 45 1.731 -1.583 -9.255 1.00 0.00 O ATOM 693 CG2 THR A 45 0.806 0.163 -10.629 1.00 0.00 C ATOM 0 H THR A 45 0.437 0.358 -7.437 1.00 0.00 H new ATOM 0 HA THR A 45 -1.549 -0.950 -9.283 1.00 0.00 H new ATOM 0 HB THR A 45 0.194 -1.895 -10.591 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.606 -1.597 -8.283 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.584 -0.000 -11.375 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.107 0.495 -11.124 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.134 0.926 -9.923 1.00 0.00 H new ATOM 701 N TYR A 46 -1.460 -2.931 -7.803 1.00 0.00 N ATOM 702 CA TYR A 46 -1.465 -4.049 -6.815 1.00 0.00 C ATOM 703 C TYR A 46 -0.906 -5.324 -7.466 1.00 0.00 C ATOM 704 O TYR A 46 -1.064 -5.550 -8.651 1.00 0.00 O ATOM 705 CB TYR A 46 -2.936 -4.228 -6.405 1.00 0.00 C ATOM 706 CG TYR A 46 -3.092 -5.493 -5.584 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.297 -5.689 -4.450 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.012 -6.476 -5.971 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.422 -6.863 -3.700 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.134 -7.653 -5.223 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.340 -7.846 -4.087 1.00 0.00 C ATOM 712 OH TYR A 46 -3.460 -9.006 -3.350 1.00 0.00 O ATOM 0 H TYR A 46 -2.239 -2.930 -8.461 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.840 -3.840 -5.947 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.269 -3.366 -5.827 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.566 -4.280 -7.293 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.586 -4.933 -4.153 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.627 -6.326 -6.846 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.810 -7.011 -2.822 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.841 -8.412 -5.523 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.142 -9.581 -3.754 1.00 0.00 H new ATOM 722 N ASP A 47 -0.270 -6.156 -6.684 1.00 0.00 N ATOM 723 CA ASP A 47 0.289 -7.426 -7.226 1.00 0.00 C ATOM 724 C ASP A 47 -0.334 -8.612 -6.489 1.00 0.00 C ATOM 725 O ASP A 47 0.084 -8.969 -5.402 1.00 0.00 O ATOM 726 CB ASP A 47 1.794 -7.354 -6.958 1.00 0.00 C ATOM 727 CG ASP A 47 2.390 -6.161 -7.708 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.335 -6.167 -8.926 1.00 0.00 O ATOM 729 OD2 ASP A 47 2.893 -5.265 -7.052 1.00 0.00 O ATOM 0 H ASP A 47 -0.114 -6.008 -5.687 1.00 0.00 H new ATOM 0 HA ASP A 47 0.080 -7.555 -8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.979 -7.254 -5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.276 -8.277 -7.280 1.00 0.00 H new ATOM 734 N ASP A 48 -1.336 -9.222 -7.075 1.00 0.00 N ATOM 735 CA ASP A 48 -2.004 -10.389 -6.416 1.00 0.00 C ATOM 736 C ASP A 48 -1.085 -11.620 -6.386 1.00 0.00 C ATOM 737 O ASP A 48 -1.413 -12.625 -5.782 1.00 0.00 O ATOM 738 CB ASP A 48 -3.245 -10.670 -7.264 1.00 0.00 C ATOM 739 CG ASP A 48 -4.151 -11.661 -6.529 1.00 0.00 C ATOM 740 OD1 ASP A 48 -4.706 -11.283 -5.512 1.00 0.00 O ATOM 741 OD2 ASP A 48 -4.273 -12.780 -6.998 1.00 0.00 O ATOM 0 H ASP A 48 -1.721 -8.962 -7.983 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.252 -10.170 -5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.784 -9.743 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.953 -11.077 -8.232 1.00 0.00 H new ATOM 746 N ALA A 49 0.060 -11.553 -7.021 1.00 0.00 N ATOM 747 CA ALA A 49 0.996 -12.714 -7.021 1.00 0.00 C ATOM 748 C ALA A 49 1.978 -12.580 -5.856 1.00 0.00 C ATOM 749 O ALA A 49 2.470 -13.562 -5.333 1.00 0.00 O ATOM 750 CB ALA A 49 1.733 -12.635 -8.358 1.00 0.00 C ATOM 0 H ALA A 49 0.386 -10.738 -7.541 1.00 0.00 H new ATOM 0 HA ALA A 49 0.480 -13.667 -6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.442 -13.460 -8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.014 -12.701 -9.174 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.269 -11.688 -8.422 1.00 0.00 H new ATOM 756 N THR A 50 2.251 -11.369 -5.437 1.00 0.00 N ATOM 757 CA THR A 50 3.183 -11.159 -4.296 1.00 0.00 C ATOM 758 C THR A 50 2.493 -10.342 -3.196 1.00 0.00 C ATOM 759 O THR A 50 3.115 -9.951 -2.227 1.00 0.00 O ATOM 760 CB THR A 50 4.360 -10.378 -4.884 1.00 0.00 C ATOM 761 OG1 THR A 50 3.883 -9.166 -5.453 1.00 0.00 O ATOM 762 CG2 THR A 50 5.040 -11.219 -5.964 1.00 0.00 C ATOM 0 H THR A 50 1.865 -10.516 -5.841 1.00 0.00 H new ATOM 0 HA THR A 50 3.502 -12.098 -3.844 1.00 0.00 H new ATOM 0 HB THR A 50 5.079 -10.151 -4.097 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.635 -8.663 -5.829 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.879 -10.663 -6.384 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.403 -12.149 -5.526 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.324 -11.446 -6.754 1.00 0.00 H new ATOM 770 N LYS A 51 1.208 -10.073 -3.338 1.00 0.00 N ATOM 771 CA LYS A 51 0.474 -9.273 -2.303 1.00 0.00 C ATOM 772 C LYS A 51 1.194 -7.944 -2.056 1.00 0.00 C ATOM 773 O LYS A 51 1.284 -7.477 -0.936 1.00 0.00 O ATOM 774 CB LYS A 51 0.476 -10.134 -1.033 1.00 0.00 C ATOM 775 CG LYS A 51 -0.230 -11.464 -1.310 1.00 0.00 C ATOM 776 CD LYS A 51 -1.741 -11.287 -1.155 1.00 0.00 C ATOM 777 CE LYS A 51 -2.428 -12.654 -1.209 1.00 0.00 C ATOM 778 NZ LYS A 51 -2.705 -13.003 0.212 1.00 0.00 N ATOM 0 H LYS A 51 0.639 -10.376 -4.129 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.541 -9.033 -2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.500 -10.316 -0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.027 -9.606 -0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.004 -11.808 -2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.129 -12.228 -0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.964 -10.794 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.125 -10.645 -1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.348 -12.610 -1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.787 -13.399 -1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.176 -13.929 0.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.810 -13.044 0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.323 -12.280 0.633 1.00 0.00 H new ATOM 792 N THR A 52 1.716 -7.343 -3.095 1.00 0.00 N ATOM 793 CA THR A 52 2.443 -6.047 -2.923 1.00 0.00 C ATOM 794 C THR A 52 1.878 -4.971 -3.857 1.00 0.00 C ATOM 795 O THR A 52 1.510 -5.246 -4.983 1.00 0.00 O ATOM 796 CB THR A 52 3.894 -6.358 -3.286 1.00 0.00 C ATOM 797 OG1 THR A 52 4.291 -7.567 -2.652 1.00 0.00 O ATOM 798 CG2 THR A 52 4.795 -5.214 -2.818 1.00 0.00 C ATOM 0 H THR A 52 1.671 -7.692 -4.052 1.00 0.00 H new ATOM 0 HA THR A 52 2.343 -5.659 -1.909 1.00 0.00 H new ATOM 0 HB THR A 52 3.983 -6.468 -4.367 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.221 -7.769 -2.885 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.830 -5.437 -3.077 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.490 -4.288 -3.305 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.708 -5.101 -1.737 1.00 0.00 H new ATOM 806 N PHE A 53 1.818 -3.745 -3.395 1.00 0.00 N ATOM 807 CA PHE A 53 1.292 -2.640 -4.252 1.00 0.00 C ATOM 808 C PHE A 53 2.467 -1.855 -4.857 1.00 0.00 C ATOM 809 O PHE A 53 3.604 -2.281 -4.759 1.00 0.00 O ATOM 810 CB PHE A 53 0.461 -1.768 -3.307 1.00 0.00 C ATOM 811 CG PHE A 53 -0.823 -2.487 -2.955 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.824 -3.468 -1.953 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.014 -2.176 -3.628 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.014 -4.136 -1.625 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.199 -2.845 -3.297 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.199 -3.823 -2.298 1.00 0.00 C ATOM 0 H PHE A 53 2.112 -3.463 -2.460 1.00 0.00 H new ATOM 0 HA PHE A 53 0.691 -2.997 -5.088 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.028 -1.551 -2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.237 -0.812 -3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.091 -3.710 -1.433 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.017 -1.421 -4.401 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.014 -4.891 -0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.116 -2.605 -3.815 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.115 -4.337 -2.046 1.00 0.00 H new ATOM 826 N THR A 54 2.223 -0.717 -5.479 1.00 0.00 N ATOM 827 CA THR A 54 3.344 0.065 -6.071 1.00 0.00 C ATOM 828 C THR A 54 2.900 1.511 -6.198 1.00 0.00 C ATOM 829 O THR A 54 2.322 1.911 -7.192 1.00 0.00 O ATOM 830 CB THR A 54 3.611 -0.542 -7.454 1.00 0.00 C ATOM 831 OG1 THR A 54 3.364 -1.942 -7.427 1.00 0.00 O ATOM 832 CG2 THR A 54 5.068 -0.292 -7.841 1.00 0.00 C ATOM 0 H THR A 54 1.297 -0.305 -5.597 1.00 0.00 H new ATOM 0 HA THR A 54 4.247 0.032 -5.461 1.00 0.00 H new ATOM 0 HB THR A 54 2.949 -0.077 -8.184 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.138 -2.252 -8.329 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.262 -0.722 -8.824 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.258 0.781 -7.870 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.725 -0.757 -7.105 1.00 0.00 H new ATOM 840 N VAL A 55 3.149 2.285 -5.184 1.00 0.00 N ATOM 841 CA VAL A 55 2.727 3.714 -5.213 1.00 0.00 C ATOM 842 C VAL A 55 3.836 4.594 -5.798 1.00 0.00 C ATOM 843 O VAL A 55 4.758 5.000 -5.117 1.00 0.00 O ATOM 844 CB VAL A 55 2.369 4.105 -3.757 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.479 3.711 -2.780 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.137 5.619 -3.665 1.00 0.00 C ATOM 0 H VAL A 55 3.628 1.992 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 55 1.860 3.861 -5.858 1.00 0.00 H new ATOM 0 HB VAL A 55 1.461 3.567 -3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.193 4.001 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.632 2.633 -2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.403 4.219 -3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.886 5.887 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.043 6.145 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.317 5.902 -4.325 1.00 0.00 H new ATOM 856 N THR A 56 3.723 4.906 -7.060 1.00 0.00 N ATOM 857 CA THR A 56 4.732 5.780 -7.720 1.00 0.00 C ATOM 858 C THR A 56 4.441 7.237 -7.324 1.00 0.00 C ATOM 859 O THR A 56 3.426 7.528 -6.721 1.00 0.00 O ATOM 860 CB THR A 56 4.532 5.512 -9.231 1.00 0.00 C ATOM 861 OG1 THR A 56 5.281 4.363 -9.598 1.00 0.00 O ATOM 862 CG2 THR A 56 4.992 6.702 -10.086 1.00 0.00 C ATOM 0 H THR A 56 2.967 4.589 -7.667 1.00 0.00 H new ATOM 0 HA THR A 56 5.766 5.585 -7.434 1.00 0.00 H new ATOM 0 HB THR A 56 3.468 5.358 -9.410 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.344 4.312 -10.575 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.835 6.475 -11.140 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.417 7.588 -9.816 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.051 6.889 -9.909 1.00 0.00 H new ATOM 870 N GLU A 57 5.324 8.145 -7.653 1.00 0.00 N ATOM 871 CA GLU A 57 5.100 9.576 -7.293 1.00 0.00 C ATOM 872 C GLU A 57 5.144 10.453 -8.547 1.00 0.00 C ATOM 873 O GLU A 57 5.002 11.657 -8.410 1.00 0.00 O ATOM 874 CB GLU A 57 6.250 9.931 -6.349 1.00 0.00 C ATOM 875 CG GLU A 57 6.004 11.312 -5.737 1.00 0.00 C ATOM 876 CD GLU A 57 7.025 11.567 -4.627 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.330 10.632 -3.904 1.00 0.00 O ATOM 878 OE2 GLU A 57 7.486 12.691 -4.519 1.00 0.00 O ATOM 879 OXT GLU A 57 5.318 9.906 -9.623 1.00 0.00 O ATOM 0 H GLU A 57 6.191 7.956 -8.156 1.00 0.00 H new ATOM 0 HA GLU A 57 4.127 9.737 -6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.331 9.182 -5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.195 9.926 -6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.086 12.082 -6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.992 11.369 -5.335 1.00 0.00 H new TER 886 GLU A 57