USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 ASN : amide:sc= -0.552 X(o=-0.55,f=-0.36) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 1.26 (180deg=1.08) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180: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=-0.0096) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -41:sc= 0.345 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0746 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -11:sc= 0.569 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0327 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 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.0513 X(o=-0.051,f=-0.051) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -141:sc= 0.0621 USER MOD Single : A 50 THR OG1 : rot 90:sc= -0.0219 USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= 1.28 (180deg=1.13) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00102 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.450 0.923 2.616 1.00 0.00 N ATOM 2 CA MET A 1 -16.439 -0.075 1.537 1.00 0.00 C ATOM 3 C MET A 1 -15.662 -1.315 1.967 1.00 0.00 C ATOM 4 O MET A 1 -16.301 -2.367 2.056 1.00 0.00 O ATOM 5 CB MET A 1 -15.997 0.546 0.209 1.00 0.00 C ATOM 6 CG MET A 1 -15.839 -0.410 -0.976 1.00 0.00 C ATOM 7 SD MET A 1 -15.486 0.524 -2.494 1.00 0.00 S ATOM 8 CE MET A 1 -15.146 -0.799 -3.677 1.00 0.00 C ATOM 0 H1 MET A 1 -17.079 1.709 2.356 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.792 0.482 3.494 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.486 1.285 2.763 1.00 0.00 H new ATOM 0 HA MET A 1 -17.454 -0.424 1.346 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.721 1.313 -0.066 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.044 1.050 0.369 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.032 -1.115 -0.778 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.749 -0.995 -1.104 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.914 -0.366 -4.650 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.297 -1.388 -3.330 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.022 -1.442 -3.765 1.00 0.00 H new ATOM 18 N GLY A 2 -14.345 -1.271 2.226 1.00 0.00 N ATOM 19 CA GLY A 2 -13.647 -2.477 2.651 1.00 0.00 C ATOM 20 C GLY A 2 -12.281 -2.179 3.246 1.00 0.00 C ATOM 21 O GLY A 2 -11.865 -1.019 3.311 1.00 0.00 O ATOM 0 H GLY A 2 -13.764 -0.436 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.254 -3.004 3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.530 -3.145 1.798 1.00 0.00 H new ATOM 25 N THR A 3 -11.627 -3.229 3.742 1.00 0.00 N ATOM 26 CA THR A 3 -10.294 -3.194 4.331 1.00 0.00 C ATOM 27 C THR A 3 -9.319 -3.510 3.196 1.00 0.00 C ATOM 28 O THR A 3 -9.644 -4.295 2.307 1.00 0.00 O ATOM 29 CB THR A 3 -10.152 -4.168 5.526 1.00 0.00 C ATOM 30 OG1 THR A 3 -8.797 -4.351 5.903 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.700 -5.574 5.264 1.00 0.00 C ATOM 0 H THR A 3 -12.031 -4.166 3.743 1.00 0.00 H new ATOM 0 HA THR A 3 -10.083 -2.214 4.758 1.00 0.00 H new ATOM 0 HB THR A 3 -10.737 -3.685 6.309 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.749 -4.970 6.661 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.560 -6.190 6.152 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.763 -5.512 5.029 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.168 -6.021 4.424 1.00 0.00 H new ATOM 39 N TYR A 4 -8.144 -2.886 3.204 1.00 0.00 N ATOM 40 CA TYR A 4 -7.087 -3.060 2.223 1.00 0.00 C ATOM 41 C TYR A 4 -5.775 -3.112 3.003 1.00 0.00 C ATOM 42 O TYR A 4 -5.564 -2.253 3.870 1.00 0.00 O ATOM 43 CB TYR A 4 -7.121 -1.901 1.214 1.00 0.00 C ATOM 44 CG TYR A 4 -8.414 -1.818 0.418 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.508 -2.447 -0.840 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.543 -1.162 0.953 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.722 -2.436 -1.554 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.753 -1.163 0.254 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.853 -1.805 -0.994 1.00 0.00 C ATOM 50 OH TYR A 4 -12.040 -1.797 -1.653 1.00 0.00 O ATOM 0 H TYR A 4 -7.896 -2.215 3.931 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.206 -3.976 1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.973 -0.962 1.748 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.286 -2.009 0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.644 -2.941 -1.259 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.472 -0.658 1.905 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.787 -2.907 -2.524 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.616 -0.668 0.674 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.708 -1.319 -1.118 1.00 0.00 H new ATOM 60 N LYS A 5 -4.869 -4.050 2.696 1.00 0.00 N ATOM 61 CA LYS A 5 -3.606 -4.148 3.442 1.00 0.00 C ATOM 62 C LYS A 5 -2.480 -3.502 2.632 1.00 0.00 C ATOM 63 O LYS A 5 -2.449 -3.623 1.415 1.00 0.00 O ATOM 64 CB LYS A 5 -3.371 -5.619 3.799 1.00 0.00 C ATOM 65 CG LYS A 5 -2.410 -5.824 4.969 1.00 0.00 C ATOM 66 CD LYS A 5 -2.391 -7.313 5.322 1.00 0.00 C ATOM 67 CE LYS A 5 -1.391 -7.596 6.439 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.574 -8.957 6.965 1.00 0.00 N ATOM 0 H LYS A 5 -4.982 -4.739 1.952 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.641 -3.597 4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.328 -6.082 4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.979 -6.137 2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.409 -5.485 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.728 -5.234 5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.387 -7.630 5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.131 -7.897 4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.375 -7.479 6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.519 -6.870 7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.885 -9.131 7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.538 -9.056 7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.429 -9.647 6.201 1.00 0.00 H new ATOM 82 N LEU A 6 -1.603 -2.737 3.273 1.00 0.00 N ATOM 83 CA LEU A 6 -0.483 -2.023 2.645 1.00 0.00 C ATOM 84 C LEU A 6 0.896 -2.399 3.190 1.00 0.00 C ATOM 85 O LEU A 6 1.212 -2.037 4.313 1.00 0.00 O ATOM 86 CB LEU A 6 -0.716 -0.514 2.833 1.00 0.00 C ATOM 87 CG LEU A 6 -1.544 0.098 1.694 1.00 0.00 C ATOM 88 CD1 LEU A 6 -2.307 1.317 2.210 1.00 0.00 C ATOM 89 CD2 LEU A 6 -0.624 0.521 0.546 1.00 0.00 C ATOM 0 H LEU A 6 -1.649 -2.588 4.281 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.469 -2.312 1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.226 -0.343 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.246 -0.005 2.893 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.251 -0.647 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.894 1.749 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.973 1.014 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.600 2.059 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.220 0.954 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.091 1.261 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.087 -0.350 0.170 1.00 0.00 H new ATOM 101 N ILE A 7 1.728 -3.100 2.424 1.00 0.00 N ATOM 102 CA ILE A 7 3.091 -3.501 2.772 1.00 0.00 C ATOM 103 C ILE A 7 4.059 -2.979 1.710 1.00 0.00 C ATOM 104 O ILE A 7 3.820 -3.129 0.512 1.00 0.00 O ATOM 105 CB ILE A 7 3.218 -5.018 3.044 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.576 -5.313 3.707 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.078 -5.902 1.794 1.00 0.00 C ATOM 108 CD1 ILE A 7 4.651 -6.700 4.353 1.00 0.00 C ATOM 0 H ILE A 7 1.457 -3.421 1.495 1.00 0.00 H new ATOM 0 HA ILE A 7 3.363 -3.042 3.722 1.00 0.00 H new ATOM 0 HB ILE A 7 2.385 -5.270 3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.364 -5.226 2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.773 -4.556 4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.180 -6.950 2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.099 -5.741 1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.856 -5.642 1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.635 -6.840 4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.886 -6.784 5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.486 -7.464 3.594 1.00 0.00 H new ATOM 120 N LEU A 8 5.115 -2.317 2.170 1.00 0.00 N ATOM 121 CA LEU A 8 6.179 -1.725 1.384 1.00 0.00 C ATOM 122 C LEU A 8 7.482 -2.416 1.790 1.00 0.00 C ATOM 123 O LEU A 8 7.682 -2.700 2.980 1.00 0.00 O ATOM 124 CB LEU A 8 6.248 -0.206 1.639 1.00 0.00 C ATOM 125 CG LEU A 8 5.012 0.659 1.304 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.514 0.431 -0.125 1.00 0.00 C ATOM 127 CD2 LEU A 8 3.832 0.527 2.275 1.00 0.00 C ATOM 0 H LEU A 8 5.255 -2.173 3.170 1.00 0.00 H new ATOM 0 HA LEU A 8 6.001 -1.862 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.479 -0.058 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.091 0.187 1.070 1.00 0.00 H new ATOM 0 HG LEU A 8 5.389 1.676 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.644 1.061 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.305 0.685 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.237 -0.616 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.018 1.175 1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.488 -0.507 2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.150 0.820 3.276 1.00 0.00 H new ATOM 139 N ASN A 9 8.343 -2.720 0.813 1.00 0.00 N ATOM 140 CA ASN A 9 9.636 -3.370 1.024 1.00 0.00 C ATOM 141 C ASN A 9 10.729 -2.541 0.378 1.00 0.00 C ATOM 142 O ASN A 9 10.725 -2.363 -0.839 1.00 0.00 O ATOM 143 CB ASN A 9 9.682 -4.786 0.430 1.00 0.00 C ATOM 144 CG ASN A 9 8.910 -5.764 1.284 1.00 0.00 C ATOM 145 OD1 ASN A 9 9.322 -6.069 2.399 1.00 0.00 O ATOM 146 ND2 ASN A 9 7.767 -6.237 0.833 1.00 0.00 N ATOM 0 H ASN A 9 8.154 -2.515 -0.168 1.00 0.00 H new ATOM 0 HA ASN A 9 9.786 -3.448 2.101 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.267 -4.774 -0.578 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.718 -5.113 0.344 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.211 -6.866 1.413 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.437 -5.975 -0.096 1.00 0.00 H new ATOM 153 N GLY A 10 11.675 -2.066 1.185 1.00 0.00 N ATOM 154 CA GLY A 10 12.818 -1.271 0.782 1.00 0.00 C ATOM 155 C GLY A 10 14.096 -2.055 1.036 1.00 0.00 C ATOM 156 O GLY A 10 14.082 -3.082 1.726 1.00 0.00 O ATOM 0 H GLY A 10 11.658 -2.238 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.741 -1.013 -0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.837 -0.334 1.338 1.00 0.00 H new ATOM 160 N LYS A 11 15.227 -1.546 0.540 1.00 0.00 N ATOM 161 CA LYS A 11 16.516 -2.214 0.705 1.00 0.00 C ATOM 162 C LYS A 11 16.827 -2.474 2.180 1.00 0.00 C ATOM 163 O LYS A 11 17.202 -3.595 2.520 1.00 0.00 O ATOM 164 CB LYS A 11 17.575 -1.346 0.012 1.00 0.00 C ATOM 165 CG LYS A 11 18.997 -1.916 0.099 1.00 0.00 C ATOM 166 CD LYS A 11 19.969 -1.140 -0.803 1.00 0.00 C ATOM 167 CE LYS A 11 20.166 0.305 -0.328 1.00 0.00 C ATOM 168 NZ LYS A 11 21.077 1.070 -1.197 1.00 0.00 N ATOM 0 H LYS A 11 15.273 -0.670 0.019 1.00 0.00 H new ATOM 0 HA LYS A 11 16.503 -3.201 0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.305 -1.228 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.564 -0.351 0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.345 -1.874 1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 11 18.988 -2.966 -0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 11 20.932 -1.650 -0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.591 -1.137 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 11 19.199 0.806 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.560 0.299 0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 21.175 2.038 -0.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 22.010 0.610 -1.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 20.691 1.102 -2.162 1.00 0.00 H new ATOM 182 N THR A 12 16.715 -1.451 3.033 1.00 0.00 N ATOM 183 CA THR A 12 16.947 -1.559 4.474 1.00 0.00 C ATOM 184 C THR A 12 15.753 -1.105 5.324 1.00 0.00 C ATOM 185 O THR A 12 15.912 -0.973 6.544 1.00 0.00 O ATOM 186 CB THR A 12 18.275 -0.893 4.844 1.00 0.00 C ATOM 187 OG1 THR A 12 18.718 -1.290 6.134 1.00 0.00 O ATOM 188 CG2 THR A 12 18.203 0.632 4.774 1.00 0.00 C ATOM 0 H THR A 12 16.456 -0.510 2.735 1.00 0.00 H new ATOM 0 HA THR A 12 17.038 -2.616 4.722 1.00 0.00 H new ATOM 0 HB THR A 12 18.997 -1.232 4.101 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.955 -1.314 6.749 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.170 1.055 5.046 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.945 0.938 3.760 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.442 0.992 5.466 1.00 0.00 H new ATOM 196 N LEU A 13 14.620 -0.733 4.729 1.00 0.00 N ATOM 197 CA LEU A 13 13.440 -0.254 5.448 1.00 0.00 C ATOM 198 C LEU A 13 12.218 -1.040 5.012 1.00 0.00 C ATOM 199 O LEU A 13 12.204 -1.592 3.909 1.00 0.00 O ATOM 200 CB LEU A 13 13.190 1.239 5.185 1.00 0.00 C ATOM 201 CG LEU A 13 14.319 2.187 5.629 1.00 0.00 C ATOM 202 CD1 LEU A 13 15.092 2.717 4.417 1.00 0.00 C ATOM 203 CD2 LEU A 13 13.755 3.364 6.430 1.00 0.00 C ATOM 0 H LEU A 13 14.494 -0.756 3.717 1.00 0.00 H new ATOM 0 HA LEU A 13 13.621 -0.395 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.020 1.379 4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.272 1.531 5.695 1.00 0.00 H new ATOM 0 HG LEU A 13 14.999 1.619 6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 13 15.885 3.385 4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.529 1.881 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.412 3.263 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.570 4.021 6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.051 3.921 5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.242 2.989 7.316 1.00 0.00 H new ATOM 215 N LYS A 14 11.234 -1.159 5.895 1.00 0.00 N ATOM 216 CA LYS A 14 9.985 -1.864 5.637 1.00 0.00 C ATOM 217 C LYS A 14 8.827 -1.137 6.301 1.00 0.00 C ATOM 218 O LYS A 14 9.039 -0.336 7.220 1.00 0.00 O ATOM 219 CB LYS A 14 10.080 -3.303 6.171 1.00 0.00 C ATOM 220 CG LYS A 14 11.119 -4.155 5.424 1.00 0.00 C ATOM 221 CD LYS A 14 10.949 -5.647 5.711 1.00 0.00 C ATOM 222 CE LYS A 14 11.153 -6.010 7.186 1.00 0.00 C ATOM 223 NZ LYS A 14 10.488 -7.286 7.522 1.00 0.00 N ATOM 0 H LYS A 14 11.284 -0.759 6.832 1.00 0.00 H new ATOM 0 HA LYS A 14 9.809 -1.893 4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.335 -3.275 7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.103 -3.779 6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.029 -3.979 4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.122 -3.842 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.951 -5.957 5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.659 -6.209 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.219 -6.086 7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.757 -5.214 7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.644 -7.505 8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.467 -7.204 7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.884 -8.049 6.936 1.00 0.00 H new ATOM 237 N GLY A 15 7.602 -1.462 5.920 1.00 0.00 N ATOM 238 CA GLY A 15 6.404 -0.874 6.490 1.00 0.00 C ATOM 239 C GLY A 15 5.248 -1.789 6.145 1.00 0.00 C ATOM 240 O GLY A 15 5.136 -2.162 4.982 1.00 0.00 O ATOM 0 H GLY A 15 7.411 -2.153 5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.503 -0.770 7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.237 0.125 6.088 1.00 0.00 H new ATOM 244 N GLU A 16 4.429 -2.197 7.114 1.00 0.00 N ATOM 245 CA GLU A 16 3.282 -3.067 6.878 1.00 0.00 C ATOM 246 C GLU A 16 2.104 -2.505 7.660 1.00 0.00 C ATOM 247 O GLU A 16 2.221 -2.274 8.864 1.00 0.00 O ATOM 248 CB GLU A 16 3.593 -4.544 7.196 1.00 0.00 C ATOM 249 CG GLU A 16 3.895 -4.917 8.654 1.00 0.00 C ATOM 250 CD GLU A 16 3.965 -6.438 8.817 1.00 0.00 C ATOM 251 OE1 GLU A 16 5.073 -7.024 8.817 1.00 0.00 O ATOM 252 OE2 GLU A 16 2.891 -7.066 8.993 1.00 0.00 O ATOM 0 H GLU A 16 4.546 -1.930 8.091 1.00 0.00 H new ATOM 0 HA GLU A 16 3.025 -3.077 5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.744 -5.143 6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.448 -4.843 6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.840 -4.469 8.962 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.122 -4.511 9.307 1.00 0.00 H new ATOM 259 N THR A 17 0.969 -2.272 7.007 1.00 0.00 N ATOM 260 CA THR A 17 -0.193 -1.717 7.695 1.00 0.00 C ATOM 261 C THR A 17 -1.488 -2.174 7.025 1.00 0.00 C ATOM 262 O THR A 17 -1.484 -2.987 6.097 1.00 0.00 O ATOM 263 CB THR A 17 -0.027 -0.178 7.772 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.943 0.377 8.695 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.211 0.522 6.421 1.00 0.00 C ATOM 0 H THR A 17 0.829 -2.456 6.014 1.00 0.00 H new ATOM 0 HA THR A 17 -0.259 -2.090 8.717 1.00 0.00 H new ATOM 0 HB THR A 17 0.999 -0.009 8.098 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.822 1.349 8.731 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.081 1.597 6.548 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.529 0.148 5.714 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.212 0.320 6.040 1.00 0.00 H new ATOM 273 N THR A 18 -2.611 -1.698 7.550 1.00 0.00 N ATOM 274 CA THR A 18 -3.953 -1.958 7.076 1.00 0.00 C ATOM 275 C THR A 18 -4.634 -0.598 6.958 1.00 0.00 C ATOM 276 O THR A 18 -4.204 0.386 7.573 1.00 0.00 O ATOM 277 CB THR A 18 -4.681 -2.962 7.986 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.856 -3.410 7.345 1.00 0.00 O ATOM 279 CG2 THR A 18 -5.048 -2.404 9.367 1.00 0.00 C ATOM 0 H THR A 18 -2.602 -1.085 8.365 1.00 0.00 H new ATOM 0 HA THR A 18 -3.962 -2.443 6.100 1.00 0.00 H new ATOM 0 HB THR A 18 -3.981 -3.780 8.156 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.320 -4.051 7.923 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.558 -3.174 9.947 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.141 -2.098 9.889 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.706 -1.543 9.248 1.00 0.00 H new ATOM 287 N THR A 19 -5.669 -0.537 6.132 1.00 0.00 N ATOM 288 CA THR A 19 -6.444 0.655 5.878 1.00 0.00 C ATOM 289 C THR A 19 -7.875 0.256 5.548 1.00 0.00 C ATOM 290 O THR A 19 -8.151 -0.891 5.197 1.00 0.00 O ATOM 291 CB THR A 19 -5.848 1.425 4.688 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.623 0.599 3.553 1.00 0.00 O ATOM 293 CG2 THR A 19 -4.543 2.149 4.999 1.00 0.00 C ATOM 0 H THR A 19 -5.998 -1.347 5.606 1.00 0.00 H new ATOM 0 HA THR A 19 -6.426 1.292 6.762 1.00 0.00 H new ATOM 0 HB THR A 19 -6.615 2.168 4.468 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.725 -0.342 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.192 2.666 4.106 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.710 2.874 5.796 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.793 1.426 5.318 1.00 0.00 H new ATOM 301 N GLU A 20 -8.789 1.202 5.708 1.00 0.00 N ATOM 302 CA GLU A 20 -10.201 1.080 5.413 1.00 0.00 C ATOM 303 C GLU A 20 -10.555 2.297 4.564 1.00 0.00 C ATOM 304 O GLU A 20 -9.913 3.341 4.697 1.00 0.00 O ATOM 305 CB GLU A 20 -11.006 0.955 6.701 1.00 0.00 C ATOM 306 CG GLU A 20 -12.509 0.857 6.418 1.00 0.00 C ATOM 307 CD GLU A 20 -13.268 0.340 7.632 1.00 0.00 C ATOM 308 OE1 GLU A 20 -12.841 0.576 8.778 1.00 0.00 O ATOM 309 OE2 GLU A 20 -14.287 -0.368 7.428 1.00 0.00 O ATOM 0 H GLU A 20 -8.547 2.125 6.068 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.444 0.175 4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.680 0.072 7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.810 1.817 7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.893 1.838 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.679 0.193 5.570 1.00 0.00 H new ATOM 316 N ALA A 21 -11.522 2.183 3.652 1.00 0.00 N ATOM 317 CA ALA A 21 -11.897 3.315 2.824 1.00 0.00 C ATOM 318 C ALA A 21 -13.412 3.355 2.636 1.00 0.00 C ATOM 319 O ALA A 21 -14.036 2.293 2.555 1.00 0.00 O ATOM 320 CB ALA A 21 -11.139 3.181 1.497 1.00 0.00 C ATOM 0 H ALA A 21 -12.049 1.328 3.474 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.627 4.261 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.396 4.016 0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.066 3.187 1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.416 2.245 1.013 1.00 0.00 H new ATOM 326 N VAL A 22 -14.005 4.559 2.580 1.00 0.00 N ATOM 327 CA VAL A 22 -15.446 4.713 2.368 1.00 0.00 C ATOM 328 C VAL A 22 -15.756 4.198 0.966 1.00 0.00 C ATOM 329 O VAL A 22 -16.753 3.512 0.779 1.00 0.00 O ATOM 330 CB VAL A 22 -15.964 6.157 2.575 1.00 0.00 C ATOM 331 CG1 VAL A 22 -15.946 6.536 4.057 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.237 7.262 1.793 1.00 0.00 C ATOM 0 H VAL A 22 -13.502 5.441 2.680 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.973 4.133 3.126 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.976 6.115 2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -16.314 7.555 4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -16.585 5.851 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.926 6.472 4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.690 8.227 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.185 7.278 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.319 7.066 0.724 1.00 0.00 H new ATOM 342 N ASP A 23 -14.874 4.491 0.011 1.00 0.00 N ATOM 343 CA ASP A 23 -14.918 4.103 -1.391 1.00 0.00 C ATOM 344 C ASP A 23 -13.475 3.768 -1.791 1.00 0.00 C ATOM 345 O ASP A 23 -12.539 4.320 -1.200 1.00 0.00 O ATOM 346 CB ASP A 23 -15.455 5.283 -2.204 1.00 0.00 C ATOM 347 CG ASP A 23 -15.494 4.929 -3.681 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.529 5.291 -4.388 1.00 0.00 O ATOM 349 OD2 ASP A 23 -16.452 4.243 -4.091 1.00 0.00 O ATOM 0 H ASP A 23 -14.046 5.050 0.218 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.567 3.246 -1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.455 5.546 -1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.824 6.158 -2.049 1.00 0.00 H new ATOM 354 N ALA A 24 -13.256 2.973 -2.842 1.00 0.00 N ATOM 355 CA ALA A 24 -11.901 2.592 -3.236 1.00 0.00 C ATOM 356 C ALA A 24 -11.078 3.717 -3.863 1.00 0.00 C ATOM 357 O ALA A 24 -9.849 3.620 -3.867 1.00 0.00 O ATOM 358 CB ALA A 24 -11.939 1.358 -4.142 1.00 0.00 C ATOM 0 H ALA A 24 -13.994 2.585 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.378 2.351 -2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.923 1.085 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.401 0.528 -3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.520 1.581 -5.037 1.00 0.00 H new ATOM 364 N ALA A 25 -11.707 4.785 -4.363 1.00 0.00 N ATOM 365 CA ALA A 25 -10.988 5.889 -4.985 1.00 0.00 C ATOM 366 C ALA A 25 -9.981 6.543 -4.035 1.00 0.00 C ATOM 367 O ALA A 25 -8.808 6.660 -4.385 1.00 0.00 O ATOM 368 CB ALA A 25 -11.984 6.931 -5.493 1.00 0.00 C ATOM 0 H ALA A 25 -12.720 4.904 -4.346 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.419 5.479 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.443 7.755 -5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.647 6.473 -6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.573 7.309 -4.657 1.00 0.00 H new ATOM 374 N THR A 26 -10.390 6.929 -2.825 1.00 0.00 N ATOM 375 CA THR A 26 -9.489 7.583 -1.873 1.00 0.00 C ATOM 376 C THR A 26 -8.291 6.702 -1.491 1.00 0.00 C ATOM 377 O THR A 26 -7.253 7.234 -1.090 1.00 0.00 O ATOM 378 CB THR A 26 -10.238 8.120 -0.645 1.00 0.00 C ATOM 379 OG1 THR A 26 -11.604 8.392 -0.936 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.602 9.406 -0.116 1.00 0.00 C ATOM 0 H THR A 26 -11.341 6.800 -2.480 1.00 0.00 H new ATOM 0 HA THR A 26 -9.072 8.449 -2.388 1.00 0.00 H new ATOM 0 HB THR A 26 -10.173 7.337 0.110 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.049 8.730 -0.131 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.159 9.757 0.753 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.569 9.210 0.170 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.625 10.170 -0.894 1.00 0.00 H new ATOM 388 N ALA A 27 -8.432 5.370 -1.541 1.00 0.00 N ATOM 389 CA ALA A 27 -7.334 4.471 -1.213 1.00 0.00 C ATOM 390 C ALA A 27 -6.143 4.780 -2.131 1.00 0.00 C ATOM 391 O ALA A 27 -5.007 4.850 -1.673 1.00 0.00 O ATOM 392 CB ALA A 27 -7.781 3.013 -1.349 1.00 0.00 C ATOM 0 H ALA A 27 -9.297 4.899 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.028 4.623 -0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.950 2.353 -1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.611 2.822 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.100 2.824 -2.374 1.00 0.00 H new ATOM 398 N GLU A 28 -6.405 5.037 -3.415 1.00 0.00 N ATOM 399 CA GLU A 28 -5.378 5.355 -4.399 1.00 0.00 C ATOM 400 C GLU A 28 -4.574 6.600 -3.985 1.00 0.00 C ATOM 401 O GLU A 28 -3.380 6.701 -4.286 1.00 0.00 O ATOM 402 CB GLU A 28 -6.055 5.497 -5.767 1.00 0.00 C ATOM 403 CG GLU A 28 -5.056 5.585 -6.923 1.00 0.00 C ATOM 404 CD GLU A 28 -5.787 5.628 -8.266 1.00 0.00 C ATOM 405 OE1 GLU A 28 -5.547 4.717 -9.096 1.00 0.00 O ATOM 406 OE2 GLU A 28 -6.560 6.582 -8.509 1.00 0.00 O ATOM 0 H GLU A 28 -7.349 5.029 -3.801 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.644 4.551 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.716 4.645 -5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.680 6.390 -5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.439 6.477 -6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.384 4.727 -6.896 1.00 0.00 H new ATOM 413 N LYS A 29 -5.199 7.546 -3.272 1.00 0.00 N ATOM 414 CA LYS A 29 -4.533 8.760 -2.807 1.00 0.00 C ATOM 415 C LYS A 29 -3.604 8.418 -1.651 1.00 0.00 C ATOM 416 O LYS A 29 -2.437 8.854 -1.679 1.00 0.00 O ATOM 417 CB LYS A 29 -5.536 9.833 -2.358 1.00 0.00 C ATOM 418 CG LYS A 29 -6.426 10.317 -3.510 1.00 0.00 C ATOM 419 CD LYS A 29 -7.350 11.461 -3.099 1.00 0.00 C ATOM 420 CE LYS A 29 -6.544 12.720 -2.779 1.00 0.00 C ATOM 421 NZ LYS A 29 -7.429 13.825 -2.388 1.00 0.00 N ATOM 0 H LYS A 29 -6.181 7.487 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.965 9.167 -3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.163 9.431 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.994 10.681 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.796 10.643 -4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.026 9.484 -3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.057 11.670 -3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.935 11.167 -2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.840 12.511 -1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.956 13.011 -3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.858 14.668 -2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.084 14.037 -3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.972 13.553 -1.544 1.00 0.00 H new ATOM 435 N VAL A 30 -4.083 7.684 -0.658 1.00 0.00 N ATOM 436 CA VAL A 30 -3.293 7.284 0.506 1.00 0.00 C ATOM 437 C VAL A 30 -2.099 6.447 0.057 1.00 0.00 C ATOM 438 O VAL A 30 -1.033 6.579 0.646 1.00 0.00 O ATOM 439 CB VAL A 30 -4.108 6.680 1.661 1.00 0.00 C ATOM 440 CG1 VAL A 30 -4.423 5.177 1.578 1.00 0.00 C ATOM 441 CG2 VAL A 30 -3.373 6.925 2.985 1.00 0.00 C ATOM 0 H VAL A 30 -5.044 7.343 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.902 8.191 0.966 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.070 7.188 1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.002 4.878 2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.999 4.975 0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.492 4.611 1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.949 6.497 3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.390 6.455 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.256 7.997 3.143 1.00 0.00 H new ATOM 451 N PHE A 31 -2.236 5.622 -0.991 1.00 0.00 N ATOM 452 CA PHE A 31 -1.150 4.783 -1.465 1.00 0.00 C ATOM 453 C PHE A 31 0.101 5.614 -1.743 1.00 0.00 C ATOM 454 O PHE A 31 1.171 5.243 -1.330 1.00 0.00 O ATOM 455 CB PHE A 31 -1.559 4.035 -2.741 1.00 0.00 C ATOM 456 CG PHE A 31 -2.670 3.002 -2.646 1.00 0.00 C ATOM 457 CD1 PHE A 31 -3.151 2.529 -1.405 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.242 2.522 -3.835 1.00 0.00 C ATOM 459 CE1 PHE A 31 -4.221 1.620 -1.362 1.00 0.00 C ATOM 460 CE2 PHE A 31 -4.326 1.629 -3.794 1.00 0.00 C ATOM 461 CZ PHE A 31 -4.823 1.193 -2.556 1.00 0.00 C ATOM 0 H PHE A 31 -3.100 5.525 -1.524 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.927 4.059 -0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.858 4.778 -3.480 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.673 3.535 -3.132 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.695 2.867 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.846 2.841 -4.788 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.580 1.251 -0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.775 1.279 -4.712 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.672 0.526 -2.522 1.00 0.00 H new ATOM 471 N LYS A 32 -0.039 6.786 -2.411 1.00 0.00 N ATOM 472 CA LYS A 32 1.132 7.610 -2.688 1.00 0.00 C ATOM 473 C LYS A 32 1.613 8.326 -1.428 1.00 0.00 C ATOM 474 O LYS A 32 2.799 8.259 -1.120 1.00 0.00 O ATOM 475 CB LYS A 32 0.793 8.621 -3.802 1.00 0.00 C ATOM 476 CG LYS A 32 2.062 9.248 -4.404 1.00 0.00 C ATOM 477 CD LYS A 32 1.760 10.205 -5.569 1.00 0.00 C ATOM 478 CE LYS A 32 1.098 9.525 -6.778 1.00 0.00 C ATOM 479 NZ LYS A 32 1.989 8.578 -7.481 1.00 0.00 N ATOM 0 H LYS A 32 -0.925 7.160 -2.752 1.00 0.00 H new ATOM 0 HA LYS A 32 1.945 6.967 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.226 8.121 -4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.154 9.407 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.599 9.790 -3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.723 8.455 -4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.109 11.003 -5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.690 10.673 -5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.207 8.994 -6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.768 10.291 -7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.482 8.155 -8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.828 9.084 -7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.285 7.827 -6.825 1.00 0.00 H new ATOM 493 N GLN A 33 0.706 8.961 -0.690 1.00 0.00 N ATOM 494 CA GLN A 33 1.039 9.715 0.516 1.00 0.00 C ATOM 495 C GLN A 33 1.710 8.887 1.615 1.00 0.00 C ATOM 496 O GLN A 33 2.778 9.260 2.096 1.00 0.00 O ATOM 497 CB GLN A 33 -0.266 10.352 1.020 1.00 0.00 C ATOM 498 CG GLN A 33 -0.107 11.242 2.259 1.00 0.00 C ATOM 499 CD GLN A 33 -1.465 11.807 2.658 1.00 0.00 C ATOM 500 OE1 GLN A 33 -1.999 12.691 1.986 1.00 0.00 O ATOM 501 NE2 GLN A 33 -2.074 11.291 3.710 1.00 0.00 N ATOM 0 H GLN A 33 -0.289 8.967 -0.914 1.00 0.00 H new ATOM 0 HA GLN A 33 1.786 10.466 0.259 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.699 10.946 0.215 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.977 9.558 1.248 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.315 10.665 3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.589 12.054 2.049 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.618 10.560 4.256 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.001 11.624 3.977 1.00 0.00 H new ATOM 510 N TYR A 34 1.124 7.752 2.000 1.00 0.00 N ATOM 511 CA TYR A 34 1.676 6.912 3.053 1.00 0.00 C ATOM 512 C TYR A 34 2.925 6.193 2.570 1.00 0.00 C ATOM 513 O TYR A 34 3.936 6.191 3.269 1.00 0.00 O ATOM 514 CB TYR A 34 0.633 5.902 3.549 1.00 0.00 C ATOM 515 CG TYR A 34 1.239 4.717 4.282 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.070 3.416 3.775 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.034 4.915 5.427 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.726 2.330 4.376 1.00 0.00 C ATOM 519 CE2 TYR A 34 2.695 3.835 6.036 1.00 0.00 C ATOM 520 CZ TYR A 34 2.557 2.539 5.495 1.00 0.00 C ATOM 521 OH TYR A 34 3.214 1.481 6.035 1.00 0.00 O ATOM 0 H TYR A 34 0.260 7.395 1.592 1.00 0.00 H new ATOM 0 HA TYR A 34 1.952 7.556 3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.067 6.410 4.212 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.058 5.537 2.698 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.432 3.252 2.919 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.137 5.907 5.841 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.594 1.334 3.981 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.305 3.996 6.913 1.00 0.00 H new ATOM 0 HH TYR A 34 3.748 1.783 6.799 1.00 0.00 H new ATOM 531 N ALA A 35 2.884 5.566 1.391 1.00 0.00 N ATOM 532 CA ALA A 35 4.058 4.856 0.917 1.00 0.00 C ATOM 533 C ALA A 35 5.238 5.816 0.749 1.00 0.00 C ATOM 534 O ALA A 35 6.368 5.425 1.025 1.00 0.00 O ATOM 535 CB ALA A 35 3.734 4.053 -0.334 1.00 0.00 C ATOM 0 H ALA A 35 2.075 5.539 0.770 1.00 0.00 H new ATOM 0 HA ALA A 35 4.368 4.128 1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.628 3.529 -0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.952 3.328 -0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.389 4.726 -1.119 1.00 0.00 H new ATOM 541 N ASN A 36 5.017 7.078 0.372 1.00 0.00 N ATOM 542 CA ASN A 36 6.122 8.022 0.236 1.00 0.00 C ATOM 543 C ASN A 36 6.838 8.229 1.574 1.00 0.00 C ATOM 544 O ASN A 36 8.036 8.507 1.585 1.00 0.00 O ATOM 545 CB ASN A 36 5.643 9.353 -0.339 1.00 0.00 C ATOM 546 CG ASN A 36 6.814 10.317 -0.411 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.929 11.234 0.394 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.736 10.093 -1.329 1.00 0.00 N ATOM 0 H ASN A 36 4.097 7.463 0.159 1.00 0.00 H new ATOM 0 HA ASN A 36 6.839 7.594 -0.465 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.219 9.202 -1.332 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.852 9.769 0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.563 10.688 -1.377 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.622 9.325 -1.990 1.00 0.00 H new ATOM 555 N ASP A 37 6.129 8.091 2.705 1.00 0.00 N ATOM 556 CA ASP A 37 6.706 8.235 4.044 1.00 0.00 C ATOM 557 C ASP A 37 7.746 7.133 4.286 1.00 0.00 C ATOM 558 O ASP A 37 8.653 7.298 5.102 1.00 0.00 O ATOM 559 CB ASP A 37 5.612 8.152 5.117 1.00 0.00 C ATOM 560 CG ASP A 37 6.082 8.718 6.453 1.00 0.00 C ATOM 561 OD1 ASP A 37 5.920 9.944 6.650 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.530 7.966 7.351 1.00 0.00 O ATOM 0 H ASP A 37 5.132 7.875 2.713 1.00 0.00 H new ATOM 0 HA ASP A 37 7.187 9.211 4.108 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.731 8.699 4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.311 7.113 5.249 1.00 0.00 H new ATOM 567 N ASN A 38 7.612 6.007 3.586 1.00 0.00 N ATOM 568 CA ASN A 38 8.508 4.854 3.654 1.00 0.00 C ATOM 569 C ASN A 38 9.717 5.045 2.726 1.00 0.00 C ATOM 570 O ASN A 38 10.616 4.204 2.757 1.00 0.00 O ATOM 571 CB ASN A 38 7.736 3.554 3.317 1.00 0.00 C ATOM 572 CG ASN A 38 7.254 2.788 4.539 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.994 2.601 5.502 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.017 2.310 4.515 1.00 0.00 N ATOM 0 H ASN A 38 6.844 5.868 2.929 1.00 0.00 H new ATOM 0 HA ASN A 38 8.888 4.767 4.672 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.876 3.805 2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.380 2.904 2.724 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.662 1.774 5.307 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.421 2.478 3.704 1.00 0.00 H new ATOM 581 N GLY A 39 9.779 6.123 1.927 1.00 0.00 N ATOM 582 CA GLY A 39 10.882 6.401 1.001 1.00 0.00 C ATOM 583 C GLY A 39 10.945 5.363 -0.119 1.00 0.00 C ATOM 584 O GLY A 39 12.026 5.014 -0.592 1.00 0.00 O ATOM 0 H GLY A 39 9.050 6.836 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.757 7.395 0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.825 6.407 1.547 1.00 0.00 H new ATOM 588 N VAL A 40 9.779 4.939 -0.605 1.00 0.00 N ATOM 589 CA VAL A 40 9.595 3.925 -1.629 1.00 0.00 C ATOM 590 C VAL A 40 9.795 4.377 -3.071 1.00 0.00 C ATOM 591 O VAL A 40 9.436 5.499 -3.449 1.00 0.00 O ATOM 592 CB VAL A 40 8.138 3.431 -1.537 1.00 0.00 C ATOM 593 CG1 VAL A 40 7.830 2.822 -0.172 1.00 0.00 C ATOM 594 CG2 VAL A 40 7.134 4.573 -1.835 1.00 0.00 C ATOM 0 H VAL A 40 8.892 5.318 -0.273 1.00 0.00 H new ATOM 0 HA VAL A 40 10.360 3.175 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 40 8.025 2.655 -2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.793 2.486 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.490 1.973 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.986 3.571 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.116 4.191 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.273 5.377 -1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.306 4.956 -2.841 1.00 0.00 H new ATOM 604 N ASP A 41 10.374 3.488 -3.872 1.00 0.00 N ATOM 605 CA ASP A 41 10.623 3.639 -5.294 1.00 0.00 C ATOM 606 C ASP A 41 10.294 2.281 -5.925 1.00 0.00 C ATOM 607 O ASP A 41 11.171 1.420 -5.918 1.00 0.00 O ATOM 608 CB ASP A 41 12.066 4.103 -5.525 1.00 0.00 C ATOM 609 CG ASP A 41 12.332 4.312 -7.006 1.00 0.00 C ATOM 610 OD1 ASP A 41 13.352 3.800 -7.525 1.00 0.00 O ATOM 611 OD2 ASP A 41 11.534 5.025 -7.653 1.00 0.00 O ATOM 0 H ASP A 41 10.701 2.588 -3.519 1.00 0.00 H new ATOM 0 HA ASP A 41 10.004 4.406 -5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.246 5.032 -4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.760 3.362 -5.127 1.00 0.00 H new ATOM 616 N GLY A 42 9.064 1.999 -6.384 1.00 0.00 N ATOM 617 CA GLY A 42 8.781 0.679 -6.959 1.00 0.00 C ATOM 618 C GLY A 42 7.421 0.530 -7.649 1.00 0.00 C ATOM 619 O GLY A 42 6.680 1.500 -7.834 1.00 0.00 O ATOM 0 H GLY A 42 8.275 2.645 -6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.562 0.444 -7.682 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.848 -0.064 -6.165 1.00 0.00 H new ATOM 623 N GLU A 43 7.116 -0.711 -8.020 1.00 0.00 N ATOM 624 CA GLU A 43 5.930 -1.202 -8.719 1.00 0.00 C ATOM 625 C GLU A 43 4.882 -1.696 -7.724 1.00 0.00 C ATOM 626 O GLU A 43 5.238 -2.220 -6.666 1.00 0.00 O ATOM 627 CB GLU A 43 6.336 -2.330 -9.690 1.00 0.00 C ATOM 628 CG GLU A 43 6.827 -3.607 -8.986 1.00 0.00 C ATOM 629 CD GLU A 43 7.534 -4.582 -9.927 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.939 -5.639 -10.266 1.00 0.00 O ATOM 631 OE2 GLU A 43 8.727 -4.380 -10.215 1.00 0.00 O ATOM 0 H GLU A 43 7.759 -1.476 -7.818 1.00 0.00 H new ATOM 0 HA GLU A 43 5.488 -0.384 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.482 -2.579 -10.321 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.123 -1.964 -10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.508 -3.331 -8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.977 -4.110 -8.525 1.00 0.00 H new ATOM 638 N TRP A 44 3.602 -1.575 -8.075 1.00 0.00 N ATOM 639 CA TRP A 44 2.483 -1.974 -7.229 1.00 0.00 C ATOM 640 C TRP A 44 1.725 -3.182 -7.759 1.00 0.00 C ATOM 641 O TRP A 44 1.269 -3.177 -8.911 1.00 0.00 O ATOM 642 CB TRP A 44 1.535 -0.783 -7.096 1.00 0.00 C ATOM 643 CG TRP A 44 2.071 0.304 -6.228 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.173 1.041 -6.475 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.600 0.717 -4.917 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.449 1.845 -5.396 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.471 1.730 -4.421 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.525 0.320 -4.103 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.251 2.331 -3.171 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.314 0.898 -2.842 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.184 1.896 -2.369 1.00 0.00 C ATOM 0 H TRP A 44 3.311 -1.189 -8.973 1.00 0.00 H new ATOM 0 HA TRP A 44 2.887 -2.272 -6.261 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.329 -0.379 -8.087 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.584 -1.128 -6.689 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.752 1.005 -7.386 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.268 2.449 -5.322 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.152 -0.445 -4.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.899 3.124 -2.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.518 0.576 -2.234 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.032 2.327 -1.391 1.00 0.00 H new ATOM 662 N THR A 45 1.493 -4.152 -6.882 1.00 0.00 N ATOM 663 CA THR A 45 0.776 -5.389 -7.161 1.00 0.00 C ATOM 664 C THR A 45 -0.276 -5.552 -6.054 1.00 0.00 C ATOM 665 O THR A 45 -0.122 -4.973 -4.973 1.00 0.00 O ATOM 666 CB THR A 45 1.799 -6.532 -7.268 1.00 0.00 C ATOM 667 OG1 THR A 45 2.834 -6.131 -8.141 1.00 0.00 O ATOM 668 CG2 THR A 45 1.189 -7.816 -7.831 1.00 0.00 C ATOM 0 H THR A 45 1.814 -4.094 -5.915 1.00 0.00 H new ATOM 0 HA THR A 45 0.243 -5.389 -8.112 1.00 0.00 H new ATOM 0 HB THR A 45 2.163 -6.738 -6.261 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.495 -6.851 -8.217 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.955 -8.590 -7.885 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.381 -8.150 -7.181 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.796 -7.625 -8.829 1.00 0.00 H new ATOM 676 N TYR A 46 -1.357 -6.300 -6.304 1.00 0.00 N ATOM 677 CA TYR A 46 -2.439 -6.507 -5.348 1.00 0.00 C ATOM 678 C TYR A 46 -2.978 -7.941 -5.330 1.00 0.00 C ATOM 679 O TYR A 46 -2.864 -8.670 -6.320 1.00 0.00 O ATOM 680 CB TYR A 46 -3.543 -5.483 -5.664 1.00 0.00 C ATOM 681 CG TYR A 46 -4.931 -5.789 -5.133 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.323 -5.300 -3.877 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.828 -6.559 -5.900 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.607 -5.569 -3.382 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.119 -6.831 -5.414 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.512 -6.321 -4.158 1.00 0.00 C ATOM 687 OH TYR A 46 -8.772 -6.537 -3.699 1.00 0.00 O ATOM 0 H TYR A 46 -1.502 -6.783 -7.190 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.051 -6.355 -4.341 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.233 -4.516 -5.268 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.609 -5.378 -6.747 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.632 -4.714 -3.289 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.523 -6.941 -6.863 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.901 -5.201 -2.410 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.805 -7.426 -5.998 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.048 -7.451 -3.919 1.00 0.00 H new ATOM 697 N ASP A 47 -3.408 -8.410 -4.154 1.00 0.00 N ATOM 698 CA ASP A 47 -4.017 -9.721 -3.932 1.00 0.00 C ATOM 699 C ASP A 47 -5.329 -9.558 -3.149 1.00 0.00 C ATOM 700 O ASP A 47 -5.334 -9.042 -2.025 1.00 0.00 O ATOM 701 CB ASP A 47 -3.061 -10.739 -3.308 1.00 0.00 C ATOM 702 CG ASP A 47 -3.745 -12.095 -3.166 1.00 0.00 C ATOM 703 OD1 ASP A 47 -3.563 -12.754 -2.121 1.00 0.00 O ATOM 704 OD2 ASP A 47 -4.473 -12.502 -4.102 1.00 0.00 O ATOM 0 H ASP A 47 -3.337 -7.862 -3.297 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.255 -10.149 -4.906 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.170 -10.838 -3.928 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.732 -10.387 -2.330 1.00 0.00 H new ATOM 709 N ASP A 48 -6.457 -10.004 -3.704 1.00 0.00 N ATOM 710 CA ASP A 48 -7.775 -9.900 -3.073 1.00 0.00 C ATOM 711 C ASP A 48 -7.944 -10.727 -1.796 1.00 0.00 C ATOM 712 O ASP A 48 -8.827 -10.397 -1.000 1.00 0.00 O ATOM 713 CB ASP A 48 -8.871 -10.299 -4.066 1.00 0.00 C ATOM 714 CG ASP A 48 -10.261 -10.083 -3.461 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.975 -11.072 -3.155 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.682 -8.910 -3.339 1.00 0.00 O ATOM 0 H ASP A 48 -6.482 -10.455 -4.619 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.864 -8.854 -2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.772 -9.711 -4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.750 -11.346 -4.346 1.00 0.00 H new ATOM 721 N ALA A 49 -7.053 -11.687 -1.503 1.00 0.00 N ATOM 722 CA ALA A 49 -7.190 -12.534 -0.315 1.00 0.00 C ATOM 723 C ALA A 49 -7.279 -11.712 0.968 1.00 0.00 C ATOM 724 O ALA A 49 -8.032 -12.074 1.869 1.00 0.00 O ATOM 725 CB ALA A 49 -6.040 -13.537 -0.226 1.00 0.00 C ATOM 0 H ALA A 49 -6.233 -11.893 -2.073 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.127 -13.082 -0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.164 -14.154 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.042 -14.172 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.093 -13.000 -0.167 1.00 0.00 H new ATOM 731 N THR A 50 -6.523 -10.621 1.064 1.00 0.00 N ATOM 732 CA THR A 50 -6.535 -9.715 2.216 1.00 0.00 C ATOM 733 C THR A 50 -6.759 -8.263 1.741 1.00 0.00 C ATOM 734 O THR A 50 -6.917 -7.360 2.566 1.00 0.00 O ATOM 735 CB THR A 50 -5.309 -9.949 3.147 1.00 0.00 C ATOM 736 OG1 THR A 50 -4.590 -8.763 3.402 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.270 -10.974 2.662 1.00 0.00 C ATOM 0 H THR A 50 -5.873 -10.334 0.332 1.00 0.00 H new ATOM 0 HA THR A 50 -7.383 -9.939 2.863 1.00 0.00 H new ATOM 0 HB THR A 50 -5.794 -10.345 4.039 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.954 -8.324 4.199 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.465 -11.050 3.393 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.746 -11.947 2.545 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.861 -10.652 1.704 1.00 0.00 H new ATOM 745 N LYS A 51 -6.864 -8.050 0.417 1.00 0.00 N ATOM 746 CA LYS A 51 -7.027 -6.815 -0.317 1.00 0.00 C ATOM 747 C LYS A 51 -5.707 -6.066 -0.123 1.00 0.00 C ATOM 748 O LYS A 51 -5.673 -4.856 0.060 1.00 0.00 O ATOM 749 CB LYS A 51 -8.342 -6.102 0.042 1.00 0.00 C ATOM 750 CG LYS A 51 -9.579 -6.958 -0.298 1.00 0.00 C ATOM 751 CD LYS A 51 -10.899 -6.205 -0.061 1.00 0.00 C ATOM 752 CE LYS A 51 -12.135 -6.970 -0.566 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.212 -7.032 -2.043 1.00 0.00 N ATOM 0 H LYS A 51 -6.831 -8.842 -0.224 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.176 -6.937 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.347 -5.866 1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.399 -5.155 -0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.525 -7.271 -1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.567 -7.864 0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.012 -6.010 1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.851 -5.236 -0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.117 -7.984 -0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.035 -6.491 -0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.195 -7.208 -2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.889 -6.129 -2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.606 -7.802 -2.390 1.00 0.00 H new ATOM 767 N THR A 52 -4.629 -6.848 -0.068 1.00 0.00 N ATOM 768 CA THR A 52 -3.269 -6.448 0.137 1.00 0.00 C ATOM 769 C THR A 52 -2.662 -5.861 -1.127 1.00 0.00 C ATOM 770 O THR A 52 -2.964 -6.305 -2.231 1.00 0.00 O ATOM 771 CB THR A 52 -2.496 -7.669 0.681 1.00 0.00 C ATOM 772 OG1 THR A 52 -1.167 -7.338 0.979 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.443 -8.870 -0.251 1.00 0.00 C ATOM 0 H THR A 52 -4.710 -7.859 -0.177 1.00 0.00 H new ATOM 0 HA THR A 52 -3.211 -5.643 0.870 1.00 0.00 H new ATOM 0 HB THR A 52 -3.065 -7.949 1.568 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.702 -8.129 1.323 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.879 -9.673 0.223 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.456 -9.213 -0.461 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.956 -8.585 -1.184 1.00 0.00 H new ATOM 781 N PHE A 53 -1.790 -4.881 -0.931 1.00 0.00 N ATOM 782 CA PHE A 53 -1.013 -4.144 -1.899 1.00 0.00 C ATOM 783 C PHE A 53 0.419 -4.402 -1.455 1.00 0.00 C ATOM 784 O PHE A 53 0.733 -4.244 -0.265 1.00 0.00 O ATOM 785 CB PHE A 53 -1.366 -2.656 -1.898 1.00 0.00 C ATOM 786 CG PHE A 53 -2.581 -2.346 -2.743 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.431 -2.197 -4.134 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.859 -2.253 -2.160 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.547 -1.922 -4.938 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.979 -1.989 -2.970 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.819 -1.809 -4.357 1.00 0.00 C ATOM 0 H PHE A 53 -1.594 -4.554 0.015 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.197 -4.457 -2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.548 -2.330 -0.874 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.515 -2.084 -2.268 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.454 -2.295 -4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.979 -2.384 -1.095 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.427 -1.797 -6.004 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.962 -1.924 -2.527 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.676 -1.584 -4.974 1.00 0.00 H new ATOM 801 N THR A 54 1.265 -4.778 -2.406 1.00 0.00 N ATOM 802 CA THR A 54 2.663 -5.121 -2.215 1.00 0.00 C ATOM 803 C THR A 54 3.560 -4.305 -3.151 1.00 0.00 C ATOM 804 O THR A 54 3.229 -4.117 -4.328 1.00 0.00 O ATOM 805 CB THR A 54 2.788 -6.635 -2.504 1.00 0.00 C ATOM 806 OG1 THR A 54 2.114 -6.966 -3.709 1.00 0.00 O ATOM 807 CG2 THR A 54 2.149 -7.480 -1.398 1.00 0.00 C ATOM 0 H THR A 54 0.976 -4.855 -3.381 1.00 0.00 H new ATOM 0 HA THR A 54 2.987 -4.891 -1.200 1.00 0.00 H new ATOM 0 HB THR A 54 3.855 -6.848 -2.570 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.203 -7.927 -3.880 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.258 -8.537 -1.639 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.643 -7.271 -0.449 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.090 -7.234 -1.318 1.00 0.00 H new ATOM 815 N VAL A 55 4.670 -3.786 -2.620 1.00 0.00 N ATOM 816 CA VAL A 55 5.677 -3.010 -3.340 1.00 0.00 C ATOM 817 C VAL A 55 7.036 -3.609 -3.012 1.00 0.00 C ATOM 818 O VAL A 55 7.322 -3.837 -1.834 1.00 0.00 O ATOM 819 CB VAL A 55 5.609 -1.522 -2.973 1.00 0.00 C ATOM 820 CG1 VAL A 55 6.780 -0.711 -3.560 1.00 0.00 C ATOM 821 CG2 VAL A 55 4.307 -0.914 -3.497 1.00 0.00 C ATOM 0 H VAL A 55 4.899 -3.902 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 55 5.496 -3.061 -4.414 1.00 0.00 H new ATOM 0 HB VAL A 55 5.662 -1.470 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.681 0.335 -3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.722 -1.106 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.767 -0.787 -4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.266 0.143 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.267 -1.018 -4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.458 -1.433 -3.051 1.00 0.00 H new ATOM 831 N THR A 56 7.861 -3.849 -4.032 1.00 0.00 N ATOM 832 CA THR A 56 9.196 -4.394 -3.868 1.00 0.00 C ATOM 833 C THR A 56 10.202 -3.501 -4.597 1.00 0.00 C ATOM 834 O THR A 56 10.251 -3.511 -5.828 1.00 0.00 O ATOM 835 CB THR A 56 9.237 -5.858 -4.325 1.00 0.00 C ATOM 836 OG1 THR A 56 8.180 -6.588 -3.730 1.00 0.00 O ATOM 837 CG2 THR A 56 10.547 -6.520 -3.905 1.00 0.00 C ATOM 0 H THR A 56 7.612 -3.666 -5.004 1.00 0.00 H new ATOM 0 HA THR A 56 9.476 -4.400 -2.815 1.00 0.00 H new ATOM 0 HB THR A 56 9.144 -5.863 -5.411 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.216 -7.520 -4.031 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.554 -7.557 -4.239 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.385 -5.988 -4.356 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.639 -6.488 -2.819 1.00 0.00 H new ATOM 845 N GLU A 57 10.952 -2.712 -3.824 1.00 0.00 N ATOM 846 CA GLU A 57 11.995 -1.806 -4.292 1.00 0.00 C ATOM 847 C GLU A 57 13.097 -2.650 -4.908 1.00 0.00 C ATOM 848 O GLU A 57 13.517 -2.364 -6.042 1.00 0.00 O ATOM 849 CB GLU A 57 12.514 -1.021 -3.078 1.00 0.00 C ATOM 850 CG GLU A 57 13.667 -0.036 -3.325 1.00 0.00 C ATOM 851 CD GLU A 57 14.138 0.577 -1.995 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.321 1.185 -1.266 1.00 0.00 O ATOM 853 OE2 GLU A 57 15.317 0.419 -1.607 1.00 0.00 O ATOM 0 H GLU A 57 10.841 -2.689 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 57 11.626 -1.102 -5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.679 -0.465 -2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.837 -1.738 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.496 -0.550 -3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.341 0.754 -4.002 1.00 0.00 H new TER 860 GLU A 57