USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 674 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 36 THR OG1 : rot -46:sc= 0.733 USER MOD Set 1.2: A 40 CYS SG : rot -64:sc= 0.457 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0363 (180deg=-0.371) USER MOD Single : A 1 MET N :NH3+ 159:sc= -0.0188 (180deg=-0.783) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 176:sc= 0 USER MOD Single : A 8 ASN : amide:sc=-0.00178 K(o=-0.0018,f=-0.98) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 84:sc= 1.21 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc=-0.00182 (180deg=-0.115) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.541 F(o=-2.2!,f=-0.54) USER MOD Single : A 28 TYR OH : rot 30:sc= -0.63 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= -0.0678 (180deg=-0.406) USER MOD Single : A 49 SER OG : rot 96:sc= 0.988 USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -114:sc= 0.331 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0647 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.025 USER MOD Single : A 60 HIS : no HE2:sc= 0.265 K(o=0.26,f=-2.9!) USER MOD Single : A 61 HIS : no HE2:sc= -0.167 K(o=-0.17,f=-1.4) USER MOD Single : A 68 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.2!) USER MOD Single : A 69 MET CE :methyl -152:sc= -1.28 (180deg=-2.32!) USER MOD Single : A 70 CYS SG : rot 78:sc= 1.14 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0239 K(o=-0.024,f=-1.1) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl -145:sc= -2.07! (180deg=-2.56!) USER MOD Single : A 78 TYR OH : rot 80:sc= -4.36! USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.405 -9.709 3.711 1.00 0.00 N ATOM 2 CA MET A 1 13.649 -8.536 3.195 1.00 0.00 C ATOM 3 C MET A 1 12.940 -8.877 1.880 1.00 0.00 C ATOM 4 O MET A 1 13.583 -9.169 0.862 1.00 0.00 O ATOM 5 CB MET A 1 14.592 -7.331 3.009 1.00 0.00 C ATOM 6 CG MET A 1 15.760 -7.583 2.058 1.00 0.00 C ATOM 7 SD MET A 1 16.837 -6.145 1.864 1.00 0.00 S ATOM 8 CE MET A 1 17.557 -6.038 3.504 1.00 0.00 C ATOM 0 H1 MET A 1 15.140 -9.385 4.371 1.00 0.00 H new ATOM 0 H2 MET A 1 13.754 -10.351 4.206 1.00 0.00 H new ATOM 0 H3 MET A 1 14.850 -10.212 2.917 1.00 0.00 H new ATOM 0 HA MET A 1 12.887 -8.270 3.928 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.013 -6.486 2.637 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.988 -7.042 3.982 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.348 -8.423 2.428 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.370 -7.872 1.082 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.438 -5.397 3.473 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.826 -5.618 4.195 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.845 -7.034 3.841 1.00 0.00 H new ATOM 17 N GLY A 2 11.618 -8.859 1.906 1.00 0.00 N ATOM 18 CA GLY A 2 10.858 -9.184 0.718 1.00 0.00 C ATOM 19 C GLY A 2 10.865 -10.668 0.453 1.00 0.00 C ATOM 20 O GLY A 2 10.824 -11.110 -0.697 1.00 0.00 O ATOM 0 H GLY A 2 11.058 -8.626 2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.831 -8.838 0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.276 -8.657 -0.140 1.00 0.00 H new ATOM 24 N ARG A 3 10.917 -11.433 1.522 1.00 0.00 N ATOM 25 CA ARG A 3 10.987 -12.881 1.439 1.00 0.00 C ATOM 26 C ARG A 3 9.618 -13.502 1.155 1.00 0.00 C ATOM 27 O ARG A 3 8.828 -13.735 2.067 1.00 0.00 O ATOM 28 CB ARG A 3 11.551 -13.439 2.738 1.00 0.00 C ATOM 29 CG ARG A 3 12.992 -13.039 3.008 1.00 0.00 C ATOM 30 CD ARG A 3 13.422 -13.487 4.388 1.00 0.00 C ATOM 31 NE ARG A 3 12.712 -12.742 5.427 1.00 0.00 N ATOM 32 CZ ARG A 3 12.623 -13.100 6.700 1.00 0.00 C ATOM 33 NH1 ARG A 3 13.157 -14.247 7.125 1.00 0.00 N ATOM 34 NH2 ARG A 3 11.979 -12.314 7.543 1.00 0.00 N ATOM 0 H ARG A 3 10.912 -11.071 2.476 1.00 0.00 H new ATOM 0 HA ARG A 3 11.643 -13.139 0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 3 10.929 -13.101 3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.485 -14.527 2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 3 13.645 -13.483 2.256 1.00 0.00 H new ATOM 0 HG3 ARG A 3 13.097 -11.957 2.922 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.229 -14.553 4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 3 14.496 -13.343 4.502 1.00 0.00 H new ATOM 0 HE ARG A 3 12.248 -11.877 5.150 1.00 0.00 H new ATOM 0 HH11 ARG A 3 13.640 -14.859 6.468 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.082 -14.511 8.107 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.559 -11.446 7.211 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.901 -12.575 8.526 1.00 0.00 H new ATOM 48 N LEU A 4 9.341 -13.741 -0.114 1.00 0.00 N ATOM 49 CA LEU A 4 8.107 -14.398 -0.518 1.00 0.00 C ATOM 50 C LEU A 4 8.412 -15.783 -1.054 1.00 0.00 C ATOM 51 O LEU A 4 9.299 -15.947 -1.898 1.00 0.00 O ATOM 52 CB LEU A 4 7.346 -13.575 -1.579 1.00 0.00 C ATOM 53 CG LEU A 4 6.543 -12.361 -1.073 1.00 0.00 C ATOM 54 CD1 LEU A 4 5.582 -12.763 0.037 1.00 0.00 C ATOM 55 CD2 LEU A 4 7.460 -11.239 -0.613 1.00 0.00 C ATOM 0 H LEU A 4 9.956 -13.489 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 4 7.467 -14.480 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.067 -13.222 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.660 -14.243 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 4 5.955 -11.987 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.029 -11.886 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.883 -13.510 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.145 -13.181 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.860 -10.399 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.093 -11.596 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.085 -10.916 -1.445 1.00 0.00 H new ATOM 67 N TYR A 5 7.703 -16.778 -0.554 1.00 0.00 N ATOM 68 CA TYR A 5 7.916 -18.150 -0.984 1.00 0.00 C ATOM 69 C TYR A 5 6.662 -18.718 -1.638 1.00 0.00 C ATOM 70 O TYR A 5 6.734 -19.365 -2.684 1.00 0.00 O ATOM 71 CB TYR A 5 8.322 -19.020 0.206 1.00 0.00 C ATOM 72 CG TYR A 5 9.564 -18.536 0.919 1.00 0.00 C ATOM 73 CD1 TYR A 5 10.824 -18.759 0.383 1.00 0.00 C ATOM 74 CD2 TYR A 5 9.475 -17.848 2.123 1.00 0.00 C ATOM 75 CE1 TYR A 5 11.960 -18.311 1.025 1.00 0.00 C ATOM 76 CE2 TYR A 5 10.609 -17.394 2.771 1.00 0.00 C ATOM 77 CZ TYR A 5 11.847 -17.630 2.217 1.00 0.00 C ATOM 78 OH TYR A 5 12.980 -17.172 2.851 1.00 0.00 O ATOM 0 H TYR A 5 6.974 -16.663 0.150 1.00 0.00 H new ATOM 0 HA TYR A 5 8.720 -18.153 -1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.497 -19.055 0.917 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.488 -20.040 -0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 5 10.917 -19.292 -0.552 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.504 -17.665 2.560 1.00 0.00 H new ATOM 0 HE1 TYR A 5 12.934 -18.493 0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.524 -16.858 3.705 1.00 0.00 H new ATOM 0 HH TYR A 5 12.728 -16.712 3.679 1.00 0.00 H new ATOM 88 N SER A 6 5.519 -18.457 -1.028 1.00 0.00 N ATOM 89 CA SER A 6 4.248 -18.953 -1.525 1.00 0.00 C ATOM 90 C SER A 6 3.627 -17.985 -2.541 1.00 0.00 C ATOM 91 O SER A 6 4.218 -16.949 -2.875 1.00 0.00 O ATOM 92 CB SER A 6 3.297 -19.187 -0.355 1.00 0.00 C ATOM 93 OG SER A 6 3.851 -20.123 0.562 1.00 0.00 O ATOM 0 H SER A 6 5.446 -17.898 -0.178 1.00 0.00 H new ATOM 0 HA SER A 6 4.424 -19.897 -2.040 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.100 -18.244 0.155 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.340 -19.555 -0.725 1.00 0.00 H new ATOM 0 HG SER A 6 3.259 -20.211 1.338 1.00 0.00 H new ATOM 99 N GLY A 7 2.452 -18.341 -3.043 1.00 0.00 N ATOM 100 CA GLY A 7 1.766 -17.507 -4.005 1.00 0.00 C ATOM 101 C GLY A 7 0.770 -16.571 -3.351 1.00 0.00 C ATOM 102 O GLY A 7 1.096 -15.895 -2.375 1.00 0.00 O ATOM 0 H GLY A 7 1.960 -19.200 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.498 -16.923 -4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.247 -18.139 -4.726 1.00 0.00 H new ATOM 106 N ASN A 8 -0.450 -16.536 -3.902 1.00 0.00 N ATOM 107 CA ASN A 8 -1.546 -15.668 -3.409 1.00 0.00 C ATOM 108 C ASN A 8 -1.266 -14.195 -3.683 1.00 0.00 C ATOM 109 O ASN A 8 -2.032 -13.325 -3.284 1.00 0.00 O ATOM 110 CB ASN A 8 -1.807 -15.883 -1.908 1.00 0.00 C ATOM 111 CG ASN A 8 -2.360 -17.256 -1.596 1.00 0.00 C ATOM 112 OD1 ASN A 8 -3.041 -17.867 -2.421 1.00 0.00 O ATOM 113 ND2 ASN A 8 -2.081 -17.746 -0.405 1.00 0.00 N ATOM 0 H ASN A 8 -0.713 -17.108 -4.705 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.442 -15.955 -3.960 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.877 -15.738 -1.359 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.507 -15.126 -1.554 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.433 -18.665 -0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.513 -17.206 0.248 1.00 0.00 H new ATOM 120 N LEU A 9 -0.173 -13.928 -4.363 1.00 0.00 N ATOM 121 CA LEU A 9 0.234 -12.569 -4.692 1.00 0.00 C ATOM 122 C LEU A 9 -0.366 -12.078 -6.012 1.00 0.00 C ATOM 123 O LEU A 9 -0.031 -10.986 -6.471 1.00 0.00 O ATOM 124 CB LEU A 9 1.762 -12.498 -4.771 1.00 0.00 C ATOM 125 CG LEU A 9 2.513 -12.900 -3.500 1.00 0.00 C ATOM 126 CD1 LEU A 9 4.015 -12.874 -3.737 1.00 0.00 C ATOM 127 CD2 LEU A 9 2.141 -11.986 -2.343 1.00 0.00 C ATOM 0 H LEU A 9 0.465 -14.646 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.141 -11.919 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.095 -13.140 -5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.047 -11.479 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 9 2.222 -13.917 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.533 -13.163 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.270 -13.573 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.321 -11.868 -4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.686 -12.290 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.400 -10.957 -2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.070 -12.055 -2.155 1.00 0.00 H new ATOM 139 N ALA A 10 -1.257 -12.865 -6.609 1.00 0.00 N ATOM 140 CA ALA A 10 -1.839 -12.518 -7.911 1.00 0.00 C ATOM 141 C ALA A 10 -2.487 -11.126 -7.910 1.00 0.00 C ATOM 142 O ALA A 10 -2.159 -10.286 -8.747 1.00 0.00 O ATOM 143 CB ALA A 10 -2.847 -13.572 -8.337 1.00 0.00 C ATOM 0 H ALA A 10 -1.593 -13.745 -6.217 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.022 -12.490 -8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.270 -13.301 -9.304 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.351 -14.539 -8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.644 -13.633 -7.596 1.00 0.00 H new ATOM 149 N ALA A 11 -3.383 -10.877 -6.969 1.00 0.00 N ATOM 150 CA ALA A 11 -4.047 -9.574 -6.882 1.00 0.00 C ATOM 151 C ALA A 11 -3.179 -8.580 -6.126 1.00 0.00 C ATOM 152 O ALA A 11 -3.260 -7.371 -6.335 1.00 0.00 O ATOM 153 CB ALA A 11 -5.404 -9.714 -6.216 1.00 0.00 C ATOM 0 H ALA A 11 -3.670 -11.549 -6.258 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.197 -9.196 -7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.884 -8.737 -6.159 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.028 -10.391 -6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.276 -10.114 -5.210 1.00 0.00 H new ATOM 159 N PHE A 12 -2.364 -9.119 -5.239 1.00 0.00 N ATOM 160 CA PHE A 12 -1.439 -8.324 -4.433 1.00 0.00 C ATOM 161 C PHE A 12 -0.486 -7.521 -5.337 1.00 0.00 C ATOM 162 O PHE A 12 -0.281 -6.327 -5.130 1.00 0.00 O ATOM 163 CB PHE A 12 -0.638 -9.244 -3.500 1.00 0.00 C ATOM 164 CG PHE A 12 0.227 -8.518 -2.501 1.00 0.00 C ATOM 165 CD1 PHE A 12 -0.287 -8.144 -1.270 1.00 0.00 C ATOM 166 CD2 PHE A 12 1.548 -8.212 -2.792 1.00 0.00 C ATOM 167 CE1 PHE A 12 0.497 -7.481 -0.349 1.00 0.00 C ATOM 168 CE2 PHE A 12 2.338 -7.549 -1.873 1.00 0.00 C ATOM 169 CZ PHE A 12 1.812 -7.182 -0.650 1.00 0.00 C ATOM 0 H PHE A 12 -2.320 -10.121 -5.052 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.014 -7.620 -3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.333 -9.888 -2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.006 -9.894 -4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.314 -8.374 -1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.964 -8.495 -3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.083 -7.196 0.607 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.366 -7.318 -2.111 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.427 -6.662 0.070 1.00 0.00 H new ATOM 179 N LYS A 13 0.080 -8.182 -6.345 1.00 0.00 N ATOM 180 CA LYS A 13 0.991 -7.537 -7.294 1.00 0.00 C ATOM 181 C LYS A 13 0.322 -6.421 -8.093 1.00 0.00 C ATOM 182 O LYS A 13 0.964 -5.428 -8.428 1.00 0.00 O ATOM 183 CB LYS A 13 1.589 -8.574 -8.247 1.00 0.00 C ATOM 184 CG LYS A 13 2.520 -9.573 -7.580 1.00 0.00 C ATOM 185 CD LYS A 13 3.765 -8.895 -7.036 1.00 0.00 C ATOM 186 CE LYS A 13 4.713 -9.897 -6.398 1.00 0.00 C ATOM 187 NZ LYS A 13 5.967 -9.250 -5.926 1.00 0.00 N ATOM 0 H LYS A 13 -0.077 -9.173 -6.528 1.00 0.00 H new ATOM 0 HA LYS A 13 1.784 -7.078 -6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.777 -9.118 -8.729 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.136 -8.054 -9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.994 -10.076 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.807 -10.341 -8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.277 -8.371 -7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.479 -8.144 -6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.217 -10.383 -5.558 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.956 -10.677 -7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.587 -9.966 -5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.454 -8.808 -6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.738 -8.523 -5.219 1.00 0.00 H new ATOM 201 N ALA A 14 -0.962 -6.587 -8.395 1.00 0.00 N ATOM 202 CA ALA A 14 -1.709 -5.615 -9.211 1.00 0.00 C ATOM 203 C ALA A 14 -1.661 -4.197 -8.618 1.00 0.00 C ATOM 204 O ALA A 14 -1.777 -3.209 -9.347 1.00 0.00 O ATOM 205 CB ALA A 14 -3.151 -6.071 -9.388 1.00 0.00 C ATOM 0 H ALA A 14 -1.516 -7.387 -8.089 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.225 -5.571 -10.187 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.691 -5.343 -9.993 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.168 -7.040 -9.886 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.628 -6.157 -8.412 1.00 0.00 H new ATOM 211 N ALA A 15 -1.493 -4.109 -7.298 1.00 0.00 N ATOM 212 CA ALA A 15 -1.418 -2.820 -6.599 1.00 0.00 C ATOM 213 C ALA A 15 -0.191 -2.001 -7.037 1.00 0.00 C ATOM 214 O ALA A 15 -0.184 -0.777 -6.933 1.00 0.00 O ATOM 215 CB ALA A 15 -1.403 -3.039 -5.094 1.00 0.00 C ATOM 0 H ALA A 15 -1.405 -4.920 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.305 -2.246 -6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.347 -2.076 -4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.314 -3.556 -4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.537 -3.643 -4.823 1.00 0.00 H new ATOM 221 N THR A 16 0.828 -2.693 -7.529 1.00 0.00 N ATOM 222 CA THR A 16 2.078 -2.058 -7.966 1.00 0.00 C ATOM 223 C THR A 16 1.827 -1.025 -9.083 1.00 0.00 C ATOM 224 O THR A 16 2.387 0.070 -9.063 1.00 0.00 O ATOM 225 CB THR A 16 3.089 -3.110 -8.472 1.00 0.00 C ATOM 226 OG1 THR A 16 3.190 -4.178 -7.520 1.00 0.00 O ATOM 227 CG2 THR A 16 4.467 -2.488 -8.676 1.00 0.00 C ATOM 0 H THR A 16 0.818 -3.707 -7.639 1.00 0.00 H new ATOM 0 HA THR A 16 2.492 -1.547 -7.097 1.00 0.00 H new ATOM 0 HB THR A 16 2.733 -3.494 -9.428 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.466 -4.821 -7.671 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.161 -3.249 -9.033 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.399 -1.686 -9.411 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.827 -2.083 -7.730 1.00 0.00 H new ATOM 235 N ASN A 17 0.970 -1.380 -10.037 1.00 0.00 N ATOM 236 CA ASN A 17 0.652 -0.501 -11.175 1.00 0.00 C ATOM 237 C ASN A 17 -0.004 0.797 -10.699 1.00 0.00 C ATOM 238 O ASN A 17 0.243 1.874 -11.246 1.00 0.00 O ATOM 239 CB ASN A 17 -0.269 -1.226 -12.165 1.00 0.00 C ATOM 240 CG ASN A 17 -0.667 -0.360 -13.355 1.00 0.00 C ATOM 241 OD1 ASN A 17 -1.686 0.335 -13.324 1.00 0.00 O ATOM 242 ND2 ASN A 17 0.128 -0.405 -14.410 1.00 0.00 N ATOM 0 H ASN A 17 0.478 -2.273 -10.050 1.00 0.00 H new ATOM 0 HA ASN A 17 1.585 -0.247 -11.678 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.232 -2.124 -12.528 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.169 -1.552 -11.643 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.092 0.148 -15.238 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.962 -0.993 -14.396 1.00 0.00 H new ATOM 249 N LYS A 18 -0.824 0.676 -9.667 1.00 0.00 N ATOM 250 CA LYS A 18 -1.562 1.803 -9.097 1.00 0.00 C ATOM 251 C LYS A 18 -0.614 2.899 -8.605 1.00 0.00 C ATOM 252 O LYS A 18 -0.918 4.088 -8.717 1.00 0.00 O ATOM 253 CB LYS A 18 -2.435 1.337 -7.934 1.00 0.00 C ATOM 254 CG LYS A 18 -3.474 0.300 -8.317 1.00 0.00 C ATOM 255 CD LYS A 18 -4.329 -0.085 -7.122 1.00 0.00 C ATOM 256 CE LYS A 18 -5.259 -1.242 -7.449 1.00 0.00 C ATOM 257 NZ LYS A 18 -6.119 -0.964 -8.624 1.00 0.00 N ATOM 0 H LYS A 18 -1.001 -0.211 -9.195 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.191 2.213 -9.887 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.794 0.923 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.941 2.201 -7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.109 0.693 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.979 -0.586 -8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.685 -0.360 -6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.916 0.776 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.667 -2.137 -7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.888 -1.454 -6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.846 -1.703 -8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.578 -0.038 -8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.537 -0.956 -9.486 1.00 0.00 H new ATOM 271 N LEU A 19 0.531 2.484 -8.072 1.00 0.00 N ATOM 272 CA LEU A 19 1.503 3.398 -7.462 1.00 0.00 C ATOM 273 C LEU A 19 1.977 4.452 -8.475 1.00 0.00 C ATOM 274 O LEU A 19 2.084 5.641 -8.155 1.00 0.00 O ATOM 275 CB LEU A 19 2.727 2.593 -6.996 1.00 0.00 C ATOM 276 CG LEU A 19 2.489 1.524 -5.927 1.00 0.00 C ATOM 277 CD1 LEU A 19 3.755 0.714 -5.712 1.00 0.00 C ATOM 278 CD2 LEU A 19 2.040 2.149 -4.620 1.00 0.00 C ATOM 0 H LEU A 19 0.815 1.505 -8.049 1.00 0.00 H new ATOM 0 HA LEU A 19 1.022 3.899 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.166 2.108 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.469 3.295 -6.614 1.00 0.00 H new ATOM 0 HG LEU A 19 1.695 0.863 -6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.577 -0.044 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.040 0.230 -6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.558 1.374 -5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.878 1.366 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.808 2.835 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.111 2.696 -4.779 1.00 0.00 H new ATOM 290 N PHE A 20 2.241 4.010 -9.698 1.00 0.00 N ATOM 291 CA PHE A 20 2.724 4.896 -10.756 1.00 0.00 C ATOM 292 C PHE A 20 1.680 5.942 -11.126 1.00 0.00 C ATOM 293 O PHE A 20 2.021 7.069 -11.498 1.00 0.00 O ATOM 294 CB PHE A 20 3.121 4.092 -12.005 1.00 0.00 C ATOM 295 CG PHE A 20 3.561 4.948 -13.169 1.00 0.00 C ATOM 296 CD1 PHE A 20 4.815 5.539 -13.182 1.00 0.00 C ATOM 297 CD2 PHE A 20 2.714 5.162 -14.250 1.00 0.00 C ATOM 298 CE1 PHE A 20 5.216 6.325 -14.247 1.00 0.00 C ATOM 299 CE2 PHE A 20 3.109 5.948 -15.316 1.00 0.00 C ATOM 300 CZ PHE A 20 4.362 6.529 -15.315 1.00 0.00 C ATOM 0 H PHE A 20 2.129 3.038 -9.985 1.00 0.00 H new ATOM 0 HA PHE A 20 3.604 5.410 -10.371 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.929 3.408 -11.744 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.274 3.481 -12.316 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.487 5.384 -12.351 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.734 4.708 -14.257 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.196 6.779 -14.244 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.439 6.108 -16.148 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.674 7.142 -16.148 1.00 0.00 H new ATOM 310 N GLN A 21 0.417 5.573 -10.996 1.00 0.00 N ATOM 311 CA GLN A 21 -0.691 6.428 -11.406 1.00 0.00 C ATOM 312 C GLN A 21 -0.641 7.811 -10.757 1.00 0.00 C ATOM 313 O GLN A 21 -0.860 8.816 -11.432 1.00 0.00 O ATOM 314 CB GLN A 21 -2.023 5.756 -11.098 1.00 0.00 C ATOM 315 CG GLN A 21 -2.275 4.494 -11.914 1.00 0.00 C ATOM 316 CD GLN A 21 -3.559 3.789 -11.523 1.00 0.00 C ATOM 317 OE1 GLN A 21 -3.941 3.909 -10.270 1.00 0.00 O flip ATOM 318 NE2 GLN A 21 -4.192 3.131 -12.344 1.00 0.00 N flip ATOM 0 H GLN A 21 0.128 4.676 -10.605 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.594 6.573 -12.482 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.057 5.505 -10.038 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.829 6.465 -11.284 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.316 4.753 -12.972 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.436 3.810 -11.785 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.862 3.063 -13.307 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.048 2.653 -12.063 1.00 0.00 H new ATOM 327 N LEU A 22 -0.365 7.884 -9.457 1.00 0.00 N ATOM 328 CA LEU A 22 -0.307 9.178 -8.789 1.00 0.00 C ATOM 329 C LEU A 22 1.149 9.562 -8.445 1.00 0.00 C ATOM 330 O LEU A 22 1.389 10.518 -7.705 1.00 0.00 O ATOM 331 CB LEU A 22 -1.198 9.163 -7.528 1.00 0.00 C ATOM 332 CG LEU A 22 -1.360 10.501 -6.789 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.978 11.553 -7.702 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.212 10.315 -5.543 1.00 0.00 C ATOM 0 H LEU A 22 -0.182 7.080 -8.857 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.689 9.939 -9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.188 8.809 -7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.788 8.434 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.371 10.849 -6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.083 12.491 -7.157 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.334 11.706 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.959 11.215 -8.035 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.319 11.270 -5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.197 9.944 -5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.732 9.597 -4.878 1.00 0.00 H new ATOM 346 N ASP A 23 2.112 8.818 -9.013 1.00 0.00 N ATOM 347 CA ASP A 23 3.553 9.085 -8.803 1.00 0.00 C ATOM 348 C ASP A 23 3.983 8.856 -7.339 1.00 0.00 C ATOM 349 O ASP A 23 4.468 9.768 -6.665 1.00 0.00 O ATOM 350 CB ASP A 23 3.921 10.506 -9.282 1.00 0.00 C ATOM 351 CG ASP A 23 5.419 10.752 -9.351 1.00 0.00 C ATOM 352 OD1 ASP A 23 6.088 10.133 -10.201 1.00 0.00 O ATOM 353 OD2 ASP A 23 5.929 11.583 -8.564 1.00 0.00 O ATOM 0 H ASP A 23 1.922 8.023 -9.624 1.00 0.00 H new ATOM 0 HA ASP A 23 4.107 8.366 -9.407 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.487 10.672 -10.268 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.471 11.236 -8.609 1.00 0.00 H new ATOM 358 N LEU A 24 3.771 7.636 -6.849 1.00 0.00 N ATOM 359 CA LEU A 24 4.133 7.283 -5.475 1.00 0.00 C ATOM 360 C LEU A 24 4.605 5.821 -5.382 1.00 0.00 C ATOM 361 O LEU A 24 4.510 5.077 -6.356 1.00 0.00 O ATOM 362 CB LEU A 24 2.969 7.587 -4.504 1.00 0.00 C ATOM 363 CG LEU A 24 1.622 6.921 -4.807 1.00 0.00 C ATOM 364 CD1 LEU A 24 1.547 5.546 -4.179 1.00 0.00 C ATOM 365 CD2 LEU A 24 0.477 7.794 -4.325 1.00 0.00 C ATOM 0 H LEU A 24 3.351 6.875 -7.382 1.00 0.00 H new ATOM 0 HA LEU A 24 4.975 7.905 -5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.277 7.289 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.817 8.666 -4.484 1.00 0.00 H new ATOM 0 HG LEU A 24 1.535 6.804 -5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.582 5.094 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.345 4.920 -4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.660 5.633 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.472 7.306 -4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.563 7.945 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.517 8.758 -4.831 1.00 0.00 H new ATOM 377 N ALA A 25 5.135 5.424 -4.219 1.00 0.00 N ATOM 378 CA ALA A 25 5.656 4.064 -4.033 1.00 0.00 C ATOM 379 C ALA A 25 5.424 3.564 -2.601 1.00 0.00 C ATOM 380 O ALA A 25 4.869 4.284 -1.772 1.00 0.00 O ATOM 381 CB ALA A 25 7.141 4.014 -4.379 1.00 0.00 C ATOM 0 H ALA A 25 5.214 6.022 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 25 5.112 3.403 -4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.514 3.000 -4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.283 4.310 -5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.689 4.697 -3.730 1.00 0.00 H new ATOM 387 N VAL A 26 5.873 2.329 -2.313 1.00 0.00 N ATOM 388 CA VAL A 26 5.690 1.707 -0.995 1.00 0.00 C ATOM 389 C VAL A 26 6.878 0.786 -0.670 1.00 0.00 C ATOM 390 O VAL A 26 7.373 0.077 -1.547 1.00 0.00 O ATOM 391 CB VAL A 26 4.363 0.877 -0.928 1.00 0.00 C ATOM 392 CG1 VAL A 26 4.266 -0.104 -2.089 1.00 0.00 C ATOM 393 CG2 VAL A 26 4.244 0.133 0.405 1.00 0.00 C ATOM 0 H VAL A 26 6.368 1.741 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 26 5.633 2.511 -0.261 1.00 0.00 H new ATOM 0 HB VAL A 26 3.535 1.581 -1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.334 -0.665 -2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.285 0.444 -3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.109 -0.794 -2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.314 -0.434 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.087 -0.549 0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.247 0.852 1.224 1.00 0.00 H new ATOM 403 N ILE A 27 7.338 0.808 0.576 1.00 0.00 N ATOM 404 CA ILE A 27 8.421 -0.079 1.012 1.00 0.00 C ATOM 405 C ILE A 27 8.027 -0.803 2.299 1.00 0.00 C ATOM 406 O ILE A 27 7.369 -0.226 3.165 1.00 0.00 O ATOM 407 CB ILE A 27 9.761 0.684 1.220 1.00 0.00 C ATOM 408 CG1 ILE A 27 9.597 1.810 2.247 1.00 0.00 C ATOM 409 CG2 ILE A 27 10.287 1.228 -0.104 1.00 0.00 C ATOM 410 CD1 ILE A 27 10.887 2.522 2.588 1.00 0.00 C ATOM 0 H ILE A 27 6.982 1.427 1.304 1.00 0.00 H new ATOM 0 HA ILE A 27 8.580 -0.808 0.217 1.00 0.00 H new ATOM 0 HB ILE A 27 10.494 -0.022 1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.883 2.538 1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.170 1.396 3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.224 1.757 0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.457 0.402 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.556 1.914 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.688 3.304 3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.598 1.808 3.004 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.306 2.968 1.686 1.00 0.00 H new ATOM 422 N TYR A 28 8.393 -2.073 2.409 1.00 0.00 N ATOM 423 CA TYR A 28 8.053 -2.843 3.605 1.00 0.00 C ATOM 424 C TYR A 28 9.271 -3.483 4.272 1.00 0.00 C ATOM 425 O TYR A 28 10.275 -3.773 3.615 1.00 0.00 O ATOM 426 CB TYR A 28 6.968 -3.898 3.301 1.00 0.00 C ATOM 427 CG TYR A 28 7.344 -4.939 2.267 1.00 0.00 C ATOM 428 CD1 TYR A 28 7.232 -4.673 0.908 1.00 0.00 C ATOM 429 CD2 TYR A 28 7.795 -6.194 2.652 1.00 0.00 C ATOM 430 CE1 TYR A 28 7.561 -5.626 -0.035 1.00 0.00 C ATOM 431 CE2 TYR A 28 8.123 -7.152 1.716 1.00 0.00 C ATOM 432 CZ TYR A 28 8.006 -6.863 0.374 1.00 0.00 C ATOM 433 OH TYR A 28 8.327 -7.819 -0.561 1.00 0.00 O ATOM 0 H TYR A 28 8.916 -2.587 1.700 1.00 0.00 H new ATOM 0 HA TYR A 28 7.648 -2.129 4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.712 -4.409 4.229 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.069 -3.383 2.962 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.882 -3.704 0.584 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.891 -6.424 3.703 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.470 -5.402 -1.088 1.00 0.00 H new ATOM 0 HE2 TYR A 28 8.470 -8.124 2.033 1.00 0.00 H new ATOM 0 HH TYR A 28 8.647 -7.383 -1.378 1.00 0.00 H new ATOM 443 N ASP A 29 9.154 -3.695 5.590 1.00 0.00 N ATOM 444 CA ASP A 29 10.235 -4.260 6.411 1.00 0.00 C ATOM 445 C ASP A 29 9.838 -5.623 6.972 1.00 0.00 C ATOM 446 O ASP A 29 8.706 -5.805 7.438 1.00 0.00 O ATOM 447 CB ASP A 29 10.551 -3.355 7.622 1.00 0.00 C ATOM 448 CG ASP A 29 10.962 -1.942 7.277 1.00 0.00 C ATOM 449 OD1 ASP A 29 12.066 -1.751 6.750 1.00 0.00 O ATOM 450 OD2 ASP A 29 10.181 -1.005 7.583 1.00 0.00 O ATOM 0 H ASP A 29 8.308 -3.480 6.117 1.00 0.00 H new ATOM 0 HA ASP A 29 11.104 -4.345 5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.672 -3.314 8.265 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.349 -3.817 8.203 1.00 0.00 H new ATOM 455 N ASP A 30 10.759 -6.575 6.921 1.00 0.00 N ATOM 456 CA ASP A 30 10.573 -7.870 7.574 1.00 0.00 C ATOM 457 C ASP A 30 11.932 -8.403 8.038 1.00 0.00 C ATOM 458 O ASP A 30 12.815 -8.641 7.221 1.00 0.00 O ATOM 459 CB ASP A 30 9.864 -8.897 6.639 1.00 0.00 C ATOM 460 CG ASP A 30 10.689 -9.339 5.427 1.00 0.00 C ATOM 461 OD1 ASP A 30 10.761 -8.580 4.433 1.00 0.00 O ATOM 462 OD2 ASP A 30 11.246 -10.465 5.459 1.00 0.00 O ATOM 0 H ASP A 30 11.649 -6.477 6.432 1.00 0.00 H new ATOM 0 HA ASP A 30 9.923 -7.730 8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.602 -9.779 7.224 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.930 -8.460 6.285 1.00 0.00 H new ATOM 467 N TRP A 31 12.113 -8.554 9.373 1.00 0.00 N ATOM 468 CA TRP A 31 13.369 -9.052 9.973 1.00 0.00 C ATOM 469 C TRP A 31 14.606 -8.339 9.431 1.00 0.00 C ATOM 470 O TRP A 31 15.335 -8.866 8.584 1.00 0.00 O ATOM 471 CB TRP A 31 13.517 -10.577 9.881 1.00 0.00 C ATOM 472 CG TRP A 31 14.620 -11.099 10.759 1.00 0.00 C ATOM 473 CD1 TRP A 31 14.785 -10.846 12.091 1.00 0.00 C ATOM 474 CD2 TRP A 31 15.703 -11.954 10.377 1.00 0.00 C ATOM 475 NE1 TRP A 31 15.906 -11.483 12.558 1.00 0.00 N ATOM 476 CE2 TRP A 31 16.486 -12.172 11.530 1.00 0.00 C ATOM 477 CE3 TRP A 31 16.089 -12.555 9.178 1.00 0.00 C ATOM 478 CZ2 TRP A 31 17.628 -12.964 11.519 1.00 0.00 C ATOM 479 CZ3 TRP A 31 17.224 -13.342 9.169 1.00 0.00 C ATOM 480 CH2 TRP A 31 17.981 -13.540 10.332 1.00 0.00 C ATOM 0 H TRP A 31 11.392 -8.334 10.060 1.00 0.00 H new ATOM 0 HA TRP A 31 13.296 -8.807 11.033 1.00 0.00 H new ATOM 0 HB2 TRP A 31 12.576 -11.049 10.165 1.00 0.00 H new ATOM 0 HB3 TRP A 31 13.715 -10.858 8.847 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.128 -10.233 12.690 1.00 0.00 H new ATOM 0 HE1 TRP A 31 16.251 -11.448 13.517 1.00 0.00 H new ATOM 0 HE3 TRP A 31 15.513 -12.408 8.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 18.213 -13.118 12.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 17.534 -13.814 8.248 1.00 0.00 H new ATOM 0 HH2 TRP A 31 18.863 -14.162 10.288 1.00 0.00 H new ATOM 491 N TYR A 32 14.832 -7.129 9.917 1.00 0.00 N ATOM 492 CA TYR A 32 15.963 -6.347 9.476 1.00 0.00 C ATOM 493 C TYR A 32 17.143 -6.510 10.441 1.00 0.00 C ATOM 494 O TYR A 32 18.050 -7.303 10.183 1.00 0.00 O ATOM 495 CB TYR A 32 15.561 -4.875 9.329 1.00 0.00 C ATOM 496 CG TYR A 32 16.532 -4.049 8.514 1.00 0.00 C ATOM 497 CD1 TYR A 32 16.664 -4.265 7.150 1.00 0.00 C ATOM 498 CD2 TYR A 32 17.300 -3.052 9.096 1.00 0.00 C ATOM 499 CE1 TYR A 32 17.532 -3.515 6.388 1.00 0.00 C ATOM 500 CE2 TYR A 32 18.174 -2.294 8.338 1.00 0.00 C ATOM 501 CZ TYR A 32 18.282 -2.534 6.981 1.00 0.00 C ATOM 502 OH TYR A 32 19.150 -1.786 6.215 1.00 0.00 O ATOM 0 H TYR A 32 14.245 -6.673 10.615 1.00 0.00 H new ATOM 0 HA TYR A 32 16.284 -6.710 8.500 1.00 0.00 H new ATOM 0 HB2 TYR A 32 14.577 -4.823 8.864 1.00 0.00 H new ATOM 0 HB3 TYR A 32 15.469 -4.434 10.321 1.00 0.00 H new ATOM 0 HD1 TYR A 32 16.075 -5.036 6.677 1.00 0.00 H new ATOM 0 HD2 TYR A 32 17.215 -2.865 10.156 1.00 0.00 H new ATOM 0 HE1 TYR A 32 17.621 -3.699 5.328 1.00 0.00 H new ATOM 0 HE2 TYR A 32 18.767 -1.521 8.803 1.00 0.00 H new ATOM 0 HH TYR A 32 19.607 -1.131 6.783 1.00 0.00 H new ATOM 512 N ASP A 33 17.113 -5.781 11.567 1.00 0.00 N ATOM 513 CA ASP A 33 18.197 -5.846 12.566 1.00 0.00 C ATOM 514 C ASP A 33 17.668 -5.625 13.978 1.00 0.00 C ATOM 515 O ASP A 33 18.211 -4.805 14.722 1.00 0.00 O ATOM 516 CB ASP A 33 19.273 -4.777 12.296 1.00 0.00 C ATOM 517 CG ASP A 33 20.096 -5.016 11.055 1.00 0.00 C ATOM 518 OD1 ASP A 33 20.719 -6.091 10.939 1.00 0.00 O ATOM 519 OD2 ASP A 33 20.157 -4.111 10.202 1.00 0.00 O ATOM 0 H ASP A 33 16.356 -5.142 11.810 1.00 0.00 H new ATOM 0 HA ASP A 33 18.630 -6.843 12.482 1.00 0.00 H new ATOM 0 HB2 ASP A 33 18.788 -3.804 12.213 1.00 0.00 H new ATOM 0 HB3 ASP A 33 19.941 -4.727 13.156 1.00 0.00 H new ATOM 524 N ALA A 34 16.637 -6.346 14.382 1.00 0.00 N ATOM 525 CA ALA A 34 16.087 -6.152 15.709 1.00 0.00 C ATOM 526 C ALA A 34 15.825 -7.496 16.365 1.00 0.00 C ATOM 527 O ALA A 34 15.892 -8.531 15.706 1.00 0.00 O ATOM 528 CB ALA A 34 14.809 -5.330 15.640 1.00 0.00 C ATOM 0 H ALA A 34 16.171 -7.059 13.821 1.00 0.00 H new ATOM 0 HA ALA A 34 16.811 -5.605 16.313 1.00 0.00 H new ATOM 0 HB1 ALA A 34 14.409 -5.194 16.645 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.026 -4.356 15.201 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.075 -5.850 15.025 1.00 0.00 H new ATOM 534 N TYR A 35 15.503 -7.476 17.655 1.00 0.00 N ATOM 535 CA TYR A 35 15.264 -8.693 18.447 1.00 0.00 C ATOM 536 C TYR A 35 13.960 -9.398 18.058 1.00 0.00 C ATOM 537 O TYR A 35 13.650 -10.473 18.573 1.00 0.00 O ATOM 538 CB TYR A 35 15.232 -8.351 19.947 1.00 0.00 C ATOM 539 CG TYR A 35 13.986 -7.595 20.383 1.00 0.00 C ATOM 540 CD1 TYR A 35 13.875 -6.221 20.202 1.00 0.00 C ATOM 541 CD2 TYR A 35 12.917 -8.265 20.970 1.00 0.00 C ATOM 542 CE1 TYR A 35 12.739 -5.541 20.593 1.00 0.00 C ATOM 543 CE2 TYR A 35 11.780 -7.592 21.360 1.00 0.00 C ATOM 544 CZ TYR A 35 11.695 -6.232 21.170 1.00 0.00 C ATOM 545 OH TYR A 35 10.563 -5.560 21.558 1.00 0.00 O ATOM 0 H TYR A 35 15.398 -6.614 18.189 1.00 0.00 H new ATOM 0 HA TYR A 35 16.086 -9.376 18.235 1.00 0.00 H new ATOM 0 HB2 TYR A 35 15.304 -9.275 20.521 1.00 0.00 H new ATOM 0 HB3 TYR A 35 16.111 -7.754 20.192 1.00 0.00 H new ATOM 0 HD1 TYR A 35 14.690 -5.677 19.748 1.00 0.00 H new ATOM 0 HD2 TYR A 35 12.980 -9.332 21.123 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.669 -4.473 20.448 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.960 -8.129 21.813 1.00 0.00 H new ATOM 0 HH TYR A 35 9.923 -6.193 21.945 1.00 0.00 H new ATOM 555 N THR A 36 13.203 -8.805 17.147 1.00 0.00 N ATOM 556 CA THR A 36 11.893 -9.312 16.763 1.00 0.00 C ATOM 557 C THR A 36 12.033 -10.407 15.678 1.00 0.00 C ATOM 558 O THR A 36 11.208 -10.512 14.774 1.00 0.00 O ATOM 559 CB THR A 36 10.971 -8.159 16.270 1.00 0.00 C ATOM 560 OG1 THR A 36 9.671 -8.665 15.947 1.00 0.00 O ATOM 561 CG2 THR A 36 11.571 -7.454 15.054 1.00 0.00 C ATOM 0 H THR A 36 13.480 -7.957 16.652 1.00 0.00 H new ATOM 0 HA THR A 36 11.429 -9.757 17.643 1.00 0.00 H new ATOM 0 HB THR A 36 10.883 -7.433 17.078 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.761 -9.479 15.409 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.905 -6.654 14.732 1.00 0.00 H new ATOM 0 HG22 THR A 36 12.541 -7.034 15.319 1.00 0.00 H new ATOM 0 HG23 THR A 36 11.695 -8.171 14.242 1.00 0.00 H new ATOM 569 N ARG A 37 13.117 -11.191 15.801 1.00 0.00 N ATOM 570 CA ARG A 37 13.512 -12.281 14.869 1.00 0.00 C ATOM 571 C ARG A 37 12.316 -13.070 14.281 1.00 0.00 C ATOM 572 O ARG A 37 12.386 -13.545 13.146 1.00 0.00 O ATOM 573 CB ARG A 37 14.494 -13.228 15.599 1.00 0.00 C ATOM 574 CG ARG A 37 15.117 -14.329 14.736 1.00 0.00 C ATOM 575 CD ARG A 37 14.291 -15.609 14.755 1.00 0.00 C ATOM 576 NE ARG A 37 14.138 -16.144 16.112 1.00 0.00 N ATOM 577 CZ ARG A 37 13.640 -17.349 16.399 1.00 0.00 C ATOM 578 NH1 ARG A 37 13.307 -18.189 15.424 1.00 0.00 N ATOM 579 NH2 ARG A 37 13.496 -17.717 17.664 1.00 0.00 N ATOM 0 H ARG A 37 13.771 -11.086 16.577 1.00 0.00 H new ATOM 0 HA ARG A 37 13.994 -11.816 14.009 1.00 0.00 H new ATOM 0 HB2 ARG A 37 15.297 -12.629 16.028 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.968 -13.697 16.430 1.00 0.00 H new ATOM 0 HG2 ARG A 37 15.212 -13.974 13.710 1.00 0.00 H new ATOM 0 HG3 ARG A 37 16.124 -14.543 15.094 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.307 -15.412 14.330 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.767 -16.357 14.122 1.00 0.00 H new ATOM 0 HE ARG A 37 14.433 -15.554 16.891 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.431 -17.914 14.450 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.927 -19.108 15.650 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.765 -17.080 18.414 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.116 -18.637 17.887 1.00 0.00 H new ATOM 593 N LYS A 38 11.244 -13.215 15.048 1.00 0.00 N ATOM 594 CA LYS A 38 10.053 -13.928 14.577 1.00 0.00 C ATOM 595 C LYS A 38 9.363 -13.204 13.386 1.00 0.00 C ATOM 596 O LYS A 38 9.855 -12.185 12.880 1.00 0.00 O ATOM 597 CB LYS A 38 9.071 -14.179 15.739 1.00 0.00 C ATOM 598 CG LYS A 38 8.702 -12.946 16.559 1.00 0.00 C ATOM 599 CD LYS A 38 7.656 -12.086 15.866 1.00 0.00 C ATOM 600 CE LYS A 38 7.238 -10.915 16.740 1.00 0.00 C ATOM 601 NZ LYS A 38 6.622 -11.368 18.011 1.00 0.00 N ATOM 0 H LYS A 38 11.170 -12.851 15.998 1.00 0.00 H new ATOM 0 HA LYS A 38 10.382 -14.896 14.198 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.157 -14.612 15.333 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.507 -14.922 16.407 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.325 -13.259 17.533 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.597 -12.351 16.740 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.055 -11.714 14.922 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.783 -12.693 15.626 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.108 -10.296 16.958 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.530 -10.290 16.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.098 -10.580 18.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.969 -12.155 17.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.367 -11.687 18.663 1.00 0.00 H new ATOM 615 N ASP A 39 8.237 -13.741 12.949 1.00 0.00 N ATOM 616 CA ASP A 39 7.521 -13.211 11.785 1.00 0.00 C ATOM 617 C ASP A 39 6.895 -11.839 12.060 1.00 0.00 C ATOM 618 O ASP A 39 6.094 -11.685 12.982 1.00 0.00 O ATOM 619 CB ASP A 39 6.446 -14.198 11.336 1.00 0.00 C ATOM 620 CG ASP A 39 5.715 -13.734 10.096 1.00 0.00 C ATOM 621 OD1 ASP A 39 6.334 -13.732 9.004 1.00 0.00 O ATOM 622 OD2 ASP A 39 4.522 -13.395 10.199 1.00 0.00 O ATOM 0 H ASP A 39 7.791 -14.550 13.381 1.00 0.00 H new ATOM 0 HA ASP A 39 8.253 -13.078 10.988 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.906 -15.167 11.142 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.729 -14.342 12.144 1.00 0.00 H new ATOM 627 N CYS A 40 7.267 -10.849 11.245 1.00 0.00 N ATOM 628 CA CYS A 40 6.762 -9.481 11.383 1.00 0.00 C ATOM 629 C CYS A 40 6.823 -8.734 10.036 1.00 0.00 C ATOM 630 O CYS A 40 7.789 -8.878 9.287 1.00 0.00 O ATOM 631 CB CYS A 40 7.573 -8.734 12.453 1.00 0.00 C ATOM 632 SG CYS A 40 9.368 -8.948 12.306 1.00 0.00 S ATOM 0 H CYS A 40 7.924 -10.972 10.474 1.00 0.00 H new ATOM 0 HA CYS A 40 5.718 -9.523 11.694 1.00 0.00 H new ATOM 0 HB2 CYS A 40 7.339 -7.671 12.395 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.257 -9.077 13.438 1.00 0.00 H new ATOM 0 HG CYS A 40 9.673 -10.198 12.495 1.00 0.00 H new ATOM 638 N ILE A 41 5.773 -7.951 9.727 1.00 0.00 N ATOM 639 CA ILE A 41 5.706 -7.195 8.461 1.00 0.00 C ATOM 640 C ILE A 41 5.261 -5.732 8.702 1.00 0.00 C ATOM 641 O ILE A 41 4.246 -5.482 9.364 1.00 0.00 O ATOM 642 CB ILE A 41 4.732 -7.872 7.447 1.00 0.00 C ATOM 643 CG1 ILE A 41 5.242 -9.271 7.066 1.00 0.00 C ATOM 644 CG2 ILE A 41 4.563 -7.010 6.197 1.00 0.00 C ATOM 645 CD1 ILE A 41 4.259 -10.081 6.243 1.00 0.00 C ATOM 0 H ILE A 41 4.962 -7.825 10.333 1.00 0.00 H new ATOM 0 HA ILE A 41 6.711 -7.194 8.039 1.00 0.00 H new ATOM 0 HB ILE A 41 3.758 -7.973 7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.171 -9.168 6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.478 -9.821 7.977 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.880 -7.502 5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.157 -6.038 6.477 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.531 -6.874 5.715 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.692 -11.055 6.014 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.337 -10.217 6.808 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.041 -9.554 5.314 1.00 0.00 H new ATOM 657 N ARG A 42 6.033 -4.777 8.166 1.00 0.00 N ATOM 658 CA ARG A 42 5.720 -3.338 8.302 1.00 0.00 C ATOM 659 C ARG A 42 5.637 -2.637 6.931 1.00 0.00 C ATOM 660 O ARG A 42 6.476 -2.860 6.079 1.00 0.00 O ATOM 661 CB ARG A 42 6.813 -2.640 9.107 1.00 0.00 C ATOM 662 CG ARG A 42 6.593 -1.140 9.262 1.00 0.00 C ATOM 663 CD ARG A 42 7.861 -0.428 9.699 1.00 0.00 C ATOM 664 NE ARG A 42 8.327 -0.840 11.015 1.00 0.00 N ATOM 665 CZ ARG A 42 9.615 -0.925 11.347 1.00 0.00 C ATOM 666 NH1 ARG A 42 10.561 -0.775 10.412 1.00 0.00 N ATOM 667 NH2 ARG A 42 9.966 -1.198 12.597 1.00 0.00 N ATOM 0 H ARG A 42 6.881 -4.970 7.633 1.00 0.00 H new ATOM 0 HA ARG A 42 4.754 -3.270 8.803 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.870 -3.094 10.096 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.774 -2.810 8.622 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.249 -0.723 8.315 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.805 -0.962 9.994 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.646 -0.617 8.967 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.682 0.647 9.704 1.00 0.00 H new ATOM 0 HE ARG A 42 7.630 -1.076 11.721 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.297 -0.595 9.443 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.546 -0.840 10.668 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.249 -1.344 13.308 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.953 -1.262 12.847 1.00 0.00 H new ATOM 681 N LEU A 43 4.620 -1.787 6.745 1.00 0.00 N ATOM 682 CA LEU A 43 4.483 -0.960 5.529 1.00 0.00 C ATOM 683 C LEU A 43 4.860 0.503 5.828 1.00 0.00 C ATOM 684 O LEU A 43 4.265 1.136 6.710 1.00 0.00 O ATOM 685 CB LEU A 43 3.025 -0.996 5.003 1.00 0.00 C ATOM 686 CG LEU A 43 2.643 -2.130 4.033 1.00 0.00 C ATOM 687 CD1 LEU A 43 2.936 -3.494 4.625 1.00 0.00 C ATOM 688 CD2 LEU A 43 1.170 -2.023 3.665 1.00 0.00 C ATOM 0 H LEU A 43 3.872 -1.650 7.424 1.00 0.00 H new ATOM 0 HA LEU A 43 5.154 -1.368 4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.359 -1.052 5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.824 -0.047 4.506 1.00 0.00 H new ATOM 0 HG LEU A 43 3.251 -2.022 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.653 -4.268 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.001 -3.574 4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.365 -3.622 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.907 -2.828 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.563 -2.102 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.984 -1.062 3.185 1.00 0.00 H new ATOM 700 N ARG A 44 5.852 1.024 5.110 1.00 0.00 N ATOM 701 CA ARG A 44 6.272 2.422 5.257 1.00 0.00 C ATOM 702 C ARG A 44 6.050 3.225 3.971 1.00 0.00 C ATOM 703 O ARG A 44 6.586 2.887 2.913 1.00 0.00 O ATOM 704 CB ARG A 44 7.754 2.488 5.669 1.00 0.00 C ATOM 705 CG ARG A 44 8.344 3.897 5.654 1.00 0.00 C ATOM 706 CD ARG A 44 9.795 3.904 6.110 1.00 0.00 C ATOM 707 NE ARG A 44 10.406 5.230 5.956 1.00 0.00 N ATOM 708 CZ ARG A 44 10.836 6.003 6.956 1.00 0.00 C ATOM 709 NH1 ARG A 44 10.741 5.591 8.215 1.00 0.00 N ATOM 710 NH2 ARG A 44 11.377 7.189 6.687 1.00 0.00 N ATOM 0 H ARG A 44 6.384 0.499 4.416 1.00 0.00 H new ATOM 0 HA ARG A 44 5.655 2.870 6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.860 2.072 6.671 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.335 1.855 4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.277 4.309 4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.755 4.545 6.303 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.850 3.597 7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.361 3.173 5.533 1.00 0.00 H new ATOM 0 HE ARG A 44 10.511 5.590 5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.337 4.678 8.424 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.072 6.188 8.973 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.462 7.504 5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.707 7.783 7.447 1.00 0.00 H new ATOM 724 N ILE A 45 5.232 4.274 4.064 1.00 0.00 N ATOM 725 CA ILE A 45 4.987 5.180 2.941 1.00 0.00 C ATOM 726 C ILE A 45 5.654 6.540 3.194 1.00 0.00 C ATOM 727 O ILE A 45 5.476 7.136 4.266 1.00 0.00 O ATOM 728 CB ILE A 45 3.462 5.406 2.745 1.00 0.00 C ATOM 729 CG1 ILE A 45 2.740 4.070 2.517 1.00 0.00 C ATOM 730 CG2 ILE A 45 3.199 6.360 1.582 1.00 0.00 C ATOM 731 CD1 ILE A 45 3.164 3.348 1.259 1.00 0.00 C ATOM 0 H ILE A 45 4.724 4.519 4.914 1.00 0.00 H new ATOM 0 HA ILE A 45 5.409 4.723 2.046 1.00 0.00 H new ATOM 0 HB ILE A 45 3.069 5.859 3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.920 3.421 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.666 4.252 2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.125 6.503 1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.673 7.321 1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.612 5.939 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.609 2.414 1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.958 3.976 0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.231 3.132 1.306 1.00 0.00 H new ATOM 743 N GLU A 46 6.413 7.032 2.218 1.00 0.00 N ATOM 744 CA GLU A 46 7.088 8.320 2.347 1.00 0.00 C ATOM 745 C GLU A 46 7.236 9.000 0.984 1.00 0.00 C ATOM 746 O GLU A 46 7.152 8.344 -0.061 1.00 0.00 O ATOM 747 CB GLU A 46 8.460 8.155 3.003 1.00 0.00 C ATOM 748 CG GLU A 46 9.415 7.274 2.224 1.00 0.00 C ATOM 749 CD GLU A 46 10.786 7.233 2.844 1.00 0.00 C ATOM 750 OE1 GLU A 46 11.601 8.125 2.541 1.00 0.00 O ATOM 751 OE2 GLU A 46 11.056 6.321 3.641 1.00 0.00 O ATOM 0 H GLU A 46 6.576 6.558 1.330 1.00 0.00 H new ATOM 0 HA GLU A 46 6.472 8.953 2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.911 9.139 3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.326 7.735 4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.012 6.263 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.492 7.641 1.200 1.00 0.00 H new ATOM 758 N ASP A 47 7.446 10.308 1.006 1.00 0.00 N ATOM 759 CA ASP A 47 7.624 11.096 -0.217 1.00 0.00 C ATOM 760 C ASP A 47 9.091 11.100 -0.655 1.00 0.00 C ATOM 761 O ASP A 47 9.991 10.793 0.134 1.00 0.00 O ATOM 762 CB ASP A 47 7.119 12.541 -0.014 1.00 0.00 C ATOM 763 CG ASP A 47 7.282 13.405 -1.260 1.00 0.00 C ATOM 764 OD1 ASP A 47 6.875 12.969 -2.351 1.00 0.00 O ATOM 765 OD2 ASP A 47 7.854 14.506 -1.155 1.00 0.00 O ATOM 0 H ASP A 47 7.499 10.856 1.865 1.00 0.00 H new ATOM 0 HA ASP A 47 7.033 10.631 -1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.067 12.517 0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.662 12.998 0.813 1.00 0.00 H new ATOM 770 N ARG A 48 9.322 11.479 -1.901 1.00 0.00 N ATOM 771 CA ARG A 48 10.656 11.504 -2.497 1.00 0.00 C ATOM 772 C ARG A 48 11.450 12.753 -2.102 1.00 0.00 C ATOM 773 O ARG A 48 12.500 13.036 -2.682 1.00 0.00 O ATOM 774 CB ARG A 48 10.558 11.383 -4.034 1.00 0.00 C ATOM 775 CG ARG A 48 9.627 12.401 -4.713 1.00 0.00 C ATOM 776 CD ARG A 48 10.246 13.793 -4.818 1.00 0.00 C ATOM 777 NE ARG A 48 9.335 14.745 -5.448 1.00 0.00 N ATOM 778 CZ ARG A 48 9.616 16.024 -5.696 1.00 0.00 C ATOM 779 NH1 ARG A 48 10.806 16.536 -5.368 1.00 0.00 N ATOM 780 NH2 ARG A 48 8.706 16.793 -6.275 1.00 0.00 N ATOM 0 H ARG A 48 8.584 11.782 -2.537 1.00 0.00 H new ATOM 0 HA ARG A 48 11.202 10.646 -2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.557 11.491 -4.455 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.215 10.379 -4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.374 12.045 -5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.695 12.465 -4.152 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.512 14.149 -3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 48 11.170 13.738 -5.394 1.00 0.00 H new ATOM 0 HE ARG A 48 8.412 14.405 -5.719 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.510 15.947 -4.923 1.00 0.00 H new ATOM 0 HH12 ARG A 48 11.011 17.516 -5.562 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.797 16.405 -6.528 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.914 17.773 -6.468 1.00 0.00 H new ATOM 794 N SER A 49 10.969 13.486 -1.115 1.00 0.00 N ATOM 795 CA SER A 49 11.611 14.724 -0.704 1.00 0.00 C ATOM 796 C SER A 49 12.109 14.599 0.736 1.00 0.00 C ATOM 797 O SER A 49 12.439 15.598 1.384 1.00 0.00 O ATOM 798 CB SER A 49 10.618 15.883 -0.808 1.00 0.00 C ATOM 799 OG SER A 49 10.011 15.921 -2.089 1.00 0.00 O ATOM 0 H SER A 49 10.134 13.246 -0.581 1.00 0.00 H new ATOM 0 HA SER A 49 12.460 14.919 -1.360 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.850 15.778 -0.041 1.00 0.00 H new ATOM 0 HB3 SER A 49 11.132 16.825 -0.618 1.00 0.00 H new ATOM 0 HG SER A 49 9.151 15.451 -2.058 1.00 0.00 H new ATOM 805 N GLY A 50 12.174 13.362 1.221 1.00 0.00 N ATOM 806 CA GLY A 50 12.567 13.128 2.596 1.00 0.00 C ATOM 807 C GLY A 50 11.467 13.515 3.561 1.00 0.00 C ATOM 808 O GLY A 50 11.650 14.391 4.408 1.00 0.00 O ATOM 0 H GLY A 50 11.962 12.520 0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.816 12.075 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.467 13.700 2.821 1.00 0.00 H new ATOM 812 N ASN A 51 10.319 12.871 3.426 1.00 0.00 N ATOM 813 CA ASN A 51 9.163 13.170 4.259 1.00 0.00 C ATOM 814 C ASN A 51 8.263 11.946 4.373 1.00 0.00 C ATOM 815 O ASN A 51 7.715 11.479 3.379 1.00 0.00 O ATOM 816 CB ASN A 51 8.370 14.348 3.671 1.00 0.00 C ATOM 817 CG ASN A 51 7.148 14.701 4.503 1.00 0.00 C ATOM 818 OD1 ASN A 51 7.131 14.502 5.715 1.00 0.00 O ATOM 819 ND2 ASN A 51 6.121 15.226 3.861 1.00 0.00 N ATOM 0 H ASN A 51 10.161 12.131 2.742 1.00 0.00 H new ATOM 0 HA ASN A 51 9.516 13.444 5.253 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.021 15.220 3.599 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.056 14.100 2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.276 15.481 4.372 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.172 15.376 2.853 1.00 0.00 H new ATOM 826 N LEU A 52 8.127 11.421 5.577 1.00 0.00 N ATOM 827 CA LEU A 52 7.276 10.258 5.811 1.00 0.00 C ATOM 828 C LEU A 52 5.799 10.642 5.700 1.00 0.00 C ATOM 829 O LEU A 52 5.398 11.720 6.133 1.00 0.00 O ATOM 830 CB LEU A 52 7.559 9.627 7.191 1.00 0.00 C ATOM 831 CG LEU A 52 7.026 10.385 8.423 1.00 0.00 C ATOM 832 CD1 LEU A 52 7.057 9.488 9.647 1.00 0.00 C ATOM 833 CD2 LEU A 52 7.835 11.652 8.681 1.00 0.00 C ATOM 0 H LEU A 52 8.593 11.778 6.411 1.00 0.00 H new ATOM 0 HA LEU A 52 7.507 9.518 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.134 8.623 7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.638 9.517 7.300 1.00 0.00 H new ATOM 0 HG LEU A 52 5.995 10.675 8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.678 10.036 10.510 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.433 8.611 9.472 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.082 9.171 9.840 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.437 12.166 9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.878 11.388 8.859 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.770 12.308 7.813 1.00 0.00 H new ATOM 845 N ILE A 53 5.001 9.771 5.099 1.00 0.00 N ATOM 846 CA ILE A 53 3.581 10.036 4.944 1.00 0.00 C ATOM 847 C ILE A 53 2.769 9.263 5.983 1.00 0.00 C ATOM 848 O ILE A 53 1.959 9.842 6.706 1.00 0.00 O ATOM 849 CB ILE A 53 3.081 9.688 3.515 1.00 0.00 C ATOM 850 CG1 ILE A 53 3.874 10.475 2.454 1.00 0.00 C ATOM 851 CG2 ILE A 53 1.582 9.971 3.377 1.00 0.00 C ATOM 852 CD1 ILE A 53 3.764 11.985 2.586 1.00 0.00 C ATOM 0 H ILE A 53 5.312 8.880 4.713 1.00 0.00 H new ATOM 0 HA ILE A 53 3.435 11.105 5.100 1.00 0.00 H new ATOM 0 HB ILE A 53 3.246 8.623 3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.925 10.192 2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.524 10.182 1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.256 9.719 2.368 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.030 9.368 4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.392 11.027 3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.351 12.463 1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.720 12.283 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.142 12.294 3.561 1.00 0.00 H new ATOM 864 N ASP A 54 3.003 7.953 6.068 1.00 0.00 N ATOM 865 CA ASP A 54 2.270 7.103 7.012 1.00 0.00 C ATOM 866 C ASP A 54 2.980 5.754 7.169 1.00 0.00 C ATOM 867 O ASP A 54 3.855 5.408 6.368 1.00 0.00 O ATOM 868 CB ASP A 54 0.822 6.888 6.534 1.00 0.00 C ATOM 869 CG ASP A 54 -0.163 6.669 7.678 1.00 0.00 C ATOM 870 OD1 ASP A 54 0.120 5.857 8.578 1.00 0.00 O ATOM 871 OD2 ASP A 54 -1.230 7.320 7.677 1.00 0.00 O ATOM 0 H ASP A 54 3.690 7.458 5.499 1.00 0.00 H new ATOM 0 HA ASP A 54 2.244 7.603 7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.506 7.754 5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.791 6.027 5.867 1.00 0.00 H new ATOM 876 N THR A 55 2.592 4.997 8.186 1.00 0.00 N ATOM 877 CA THR A 55 3.191 3.696 8.474 1.00 0.00 C ATOM 878 C THR A 55 2.156 2.754 9.101 1.00 0.00 C ATOM 879 O THR A 55 1.270 3.200 9.833 1.00 0.00 O ATOM 880 CB THR A 55 4.407 3.826 9.424 1.00 0.00 C ATOM 881 OG1 THR A 55 4.133 4.793 10.448 1.00 0.00 O ATOM 882 CG2 THR A 55 5.670 4.222 8.667 1.00 0.00 C ATOM 0 H THR A 55 1.853 5.265 8.836 1.00 0.00 H new ATOM 0 HA THR A 55 3.535 3.282 7.526 1.00 0.00 H new ATOM 0 HB THR A 55 4.577 2.850 9.879 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.907 4.866 11.044 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.502 4.304 9.366 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.898 3.464 7.918 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.513 5.182 8.175 1.00 0.00 H new ATOM 890 N SER A 56 2.272 1.467 8.818 1.00 0.00 N ATOM 891 CA SER A 56 1.360 0.478 9.375 1.00 0.00 C ATOM 892 C SER A 56 2.090 -0.854 9.584 1.00 0.00 C ATOM 893 O SER A 56 2.905 -1.252 8.760 1.00 0.00 O ATOM 894 CB SER A 56 0.148 0.288 8.449 1.00 0.00 C ATOM 895 OG SER A 56 -0.817 -0.569 9.033 1.00 0.00 O ATOM 0 H SER A 56 2.990 1.081 8.205 1.00 0.00 H new ATOM 0 HA SER A 56 1.003 0.834 10.341 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.304 1.256 8.235 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.477 -0.127 7.496 1.00 0.00 H new ATOM 0 HG SER A 56 -0.877 -1.397 8.512 1.00 0.00 H new ATOM 901 N THR A 57 1.810 -1.522 10.690 1.00 0.00 N ATOM 902 CA THR A 57 2.442 -2.799 10.993 1.00 0.00 C ATOM 903 C THR A 57 1.376 -3.848 11.339 1.00 0.00 C ATOM 904 O THR A 57 0.412 -3.548 12.046 1.00 0.00 O ATOM 905 CB THR A 57 3.438 -2.663 12.164 1.00 0.00 C ATOM 906 OG1 THR A 57 4.342 -1.582 11.900 1.00 0.00 O ATOM 907 CG2 THR A 57 4.242 -3.941 12.334 1.00 0.00 C ATOM 0 H THR A 57 1.147 -1.202 11.396 1.00 0.00 H new ATOM 0 HA THR A 57 2.992 -3.120 10.108 1.00 0.00 H new ATOM 0 HB THR A 57 2.873 -2.471 13.076 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.973 -1.494 12.644 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.938 -3.825 13.164 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.566 -4.771 12.540 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.799 -4.145 11.419 1.00 0.00 H new ATOM 915 N PHE A 58 1.549 -5.069 10.838 1.00 0.00 N ATOM 916 CA PHE A 58 0.568 -6.127 11.060 1.00 0.00 C ATOM 917 C PHE A 58 1.201 -7.332 11.739 1.00 0.00 C ATOM 918 O PHE A 58 2.327 -7.716 11.415 1.00 0.00 O ATOM 919 CB PHE A 58 -0.064 -6.555 9.731 1.00 0.00 C ATOM 920 CG PHE A 58 -0.847 -5.468 9.045 1.00 0.00 C ATOM 921 CD1 PHE A 58 -2.191 -5.285 9.320 1.00 0.00 C ATOM 922 CD2 PHE A 58 -0.235 -4.635 8.118 1.00 0.00 C ATOM 923 CE1 PHE A 58 -2.912 -4.291 8.688 1.00 0.00 C ATOM 924 CE2 PHE A 58 -0.952 -3.639 7.483 1.00 0.00 C ATOM 925 CZ PHE A 58 -2.293 -3.468 7.768 1.00 0.00 C ATOM 0 H PHE A 58 2.355 -5.349 10.279 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.206 -5.730 11.716 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.724 -6.899 9.061 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.723 -7.404 9.911 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.681 -5.927 10.037 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.813 -4.767 7.891 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.960 -4.157 8.913 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.465 -2.995 6.765 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.856 -2.692 7.272 1.00 0.00 H new ATOM 935 N TYR A 59 0.481 -7.916 12.694 1.00 0.00 N ATOM 936 CA TYR A 59 0.962 -9.104 13.403 1.00 0.00 C ATOM 937 C TYR A 59 -0.136 -10.160 13.466 1.00 0.00 C ATOM 938 O TYR A 59 -1.241 -9.880 13.945 1.00 0.00 O ATOM 939 CB TYR A 59 1.386 -8.762 14.843 1.00 0.00 C ATOM 940 CG TYR A 59 2.472 -7.716 14.976 1.00 0.00 C ATOM 941 CD1 TYR A 59 3.815 -8.062 14.908 1.00 0.00 C ATOM 942 CD2 TYR A 59 2.147 -6.383 15.195 1.00 0.00 C ATOM 943 CE1 TYR A 59 4.805 -7.104 15.049 1.00 0.00 C ATOM 944 CE2 TYR A 59 3.127 -5.423 15.340 1.00 0.00 C ATOM 945 CZ TYR A 59 4.453 -5.788 15.266 1.00 0.00 C ATOM 946 OH TYR A 59 5.431 -4.836 15.413 1.00 0.00 O ATOM 0 H TYR A 59 -0.436 -7.588 12.996 1.00 0.00 H new ATOM 0 HA TYR A 59 1.824 -9.484 12.854 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.507 -8.419 15.389 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.726 -9.676 15.329 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.091 -9.093 14.743 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.108 -6.093 15.253 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.846 -7.385 14.989 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.856 -4.392 15.511 1.00 0.00 H new ATOM 0 HH TYR A 59 5.016 -3.960 15.558 1.00 0.00 H new ATOM 956 N HIS A 60 0.181 -11.362 13.003 1.00 0.00 N ATOM 957 CA HIS A 60 -0.742 -12.510 13.031 1.00 0.00 C ATOM 958 C HIS A 60 -0.121 -13.618 12.212 1.00 0.00 C ATOM 959 O HIS A 60 0.158 -13.415 11.036 1.00 0.00 O ATOM 960 CB HIS A 60 -2.113 -12.147 12.407 1.00 0.00 C ATOM 961 CG HIS A 60 -3.296 -12.834 13.045 1.00 0.00 C ATOM 962 ND1 HIS A 60 -3.533 -14.193 12.973 1.00 0.00 N ATOM 963 CD2 HIS A 60 -4.307 -12.326 13.787 1.00 0.00 C ATOM 964 CE1 HIS A 60 -4.630 -14.484 13.647 1.00 0.00 C ATOM 965 NE2 HIS A 60 -5.117 -13.372 14.150 1.00 0.00 N ATOM 0 H HIS A 60 1.090 -11.579 12.593 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.906 -12.811 14.066 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.255 -11.069 12.477 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.092 -12.398 11.346 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.951 -14.867 12.476 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.450 -11.287 14.046 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.055 -15.470 13.765 1.00 0.00 H new ATOM 973 N HIS A 61 0.122 -14.782 12.796 1.00 0.00 N ATOM 974 CA HIS A 61 0.707 -15.849 11.990 1.00 0.00 C ATOM 975 C HIS A 61 -0.361 -16.494 11.109 1.00 0.00 C ATOM 976 O HIS A 61 -0.893 -17.560 11.416 1.00 0.00 O ATOM 977 CB HIS A 61 1.443 -16.908 12.859 1.00 0.00 C ATOM 978 CG HIS A 61 0.687 -17.392 14.076 1.00 0.00 C ATOM 979 ND1 HIS A 61 -0.311 -18.342 14.026 1.00 0.00 N ATOM 980 CD2 HIS A 61 0.807 -17.052 15.382 1.00 0.00 C ATOM 981 CE1 HIS A 61 -0.772 -18.567 15.240 1.00 0.00 C ATOM 982 NE2 HIS A 61 -0.111 -17.797 16.086 1.00 0.00 N ATOM 0 H HIS A 61 -0.064 -15.009 13.773 1.00 0.00 H new ATOM 0 HA HIS A 61 1.463 -15.400 11.346 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.676 -17.769 12.232 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.393 -16.486 13.187 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -0.642 -18.801 13.178 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.496 -16.330 15.794 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.557 -19.262 15.499 1.00 0.00 H new ATOM 990 N ASP A 62 -0.679 -15.804 10.023 1.00 0.00 N ATOM 991 CA ASP A 62 -1.659 -16.256 9.050 1.00 0.00 C ATOM 992 C ASP A 62 -1.256 -15.856 7.654 1.00 0.00 C ATOM 993 O ASP A 62 -1.068 -14.679 7.379 1.00 0.00 O ATOM 994 CB ASP A 62 -3.041 -15.707 9.365 1.00 0.00 C ATOM 995 CG ASP A 62 -3.801 -16.582 10.322 1.00 0.00 C ATOM 996 OD1 ASP A 62 -3.620 -16.433 11.546 1.00 0.00 O ATOM 997 OD2 ASP A 62 -4.588 -17.429 9.856 1.00 0.00 O ATOM 0 H ASP A 62 -0.258 -14.904 9.792 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.697 -17.344 9.107 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.944 -14.708 9.789 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.609 -15.607 8.440 1.00 0.00 H new ATOM 1002 N GLU A 63 -1.136 -16.816 6.785 1.00 0.00 N ATOM 1003 CA GLU A 63 -0.772 -16.560 5.401 1.00 0.00 C ATOM 1004 C GLU A 63 -1.870 -15.771 4.661 1.00 0.00 C ATOM 1005 O GLU A 63 -1.631 -14.666 4.167 1.00 0.00 O ATOM 1006 CB GLU A 63 -0.534 -17.888 4.716 1.00 0.00 C ATOM 1007 CG GLU A 63 -0.085 -17.801 3.270 1.00 0.00 C ATOM 1008 CD GLU A 63 0.095 -19.172 2.649 1.00 0.00 C ATOM 1009 OE1 GLU A 63 -0.908 -19.765 2.186 1.00 0.00 O ATOM 1010 OE2 GLU A 63 1.233 -19.679 2.635 1.00 0.00 O ATOM 0 H GLU A 63 -1.285 -17.801 7.004 1.00 0.00 H new ATOM 0 HA GLU A 63 0.132 -15.952 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.218 -18.439 5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.455 -18.470 4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.819 -17.236 2.696 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.855 -17.251 3.214 1.00 0.00 H new ATOM 1017 N ASP A 64 -3.073 -16.335 4.618 1.00 0.00 N ATOM 1018 CA ASP A 64 -4.194 -15.731 3.889 1.00 0.00 C ATOM 1019 C ASP A 64 -4.668 -14.432 4.539 1.00 0.00 C ATOM 1020 O ASP A 64 -4.912 -13.431 3.853 1.00 0.00 O ATOM 1021 CB ASP A 64 -5.359 -16.722 3.790 1.00 0.00 C ATOM 1022 CG ASP A 64 -6.551 -16.148 3.053 1.00 0.00 C ATOM 1023 OD1 ASP A 64 -6.482 -16.012 1.814 1.00 0.00 O ATOM 1024 OD2 ASP A 64 -7.562 -15.826 3.708 1.00 0.00 O ATOM 0 H ASP A 64 -3.302 -17.215 5.081 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.837 -15.488 2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.021 -17.624 3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.665 -17.019 4.793 1.00 0.00 H new ATOM 1029 N VAL A 65 -4.780 -14.459 5.856 1.00 0.00 N ATOM 1030 CA VAL A 65 -5.262 -13.302 6.614 1.00 0.00 C ATOM 1031 C VAL A 65 -4.331 -12.097 6.453 1.00 0.00 C ATOM 1032 O VAL A 65 -4.792 -10.970 6.233 1.00 0.00 O ATOM 1033 CB VAL A 65 -5.423 -13.612 8.134 1.00 0.00 C ATOM 1034 CG1 VAL A 65 -5.861 -12.372 8.904 1.00 0.00 C ATOM 1035 CG2 VAL A 65 -6.409 -14.741 8.364 1.00 0.00 C ATOM 0 H VAL A 65 -4.545 -15.269 6.430 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.242 -13.065 6.200 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.447 -13.925 8.505 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.965 -12.618 9.961 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.114 -11.588 8.786 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.818 -12.022 8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.499 -14.933 9.433 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.383 -14.461 7.962 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.055 -15.641 7.862 1.00 0.00 H new ATOM 1045 N LEU A 66 -3.023 -12.337 6.542 1.00 0.00 N ATOM 1046 CA LEU A 66 -2.054 -11.248 6.516 1.00 0.00 C ATOM 1047 C LEU A 66 -2.117 -10.439 5.210 1.00 0.00 C ATOM 1048 O LEU A 66 -2.261 -9.212 5.249 1.00 0.00 O ATOM 1049 CB LEU A 66 -0.629 -11.778 6.771 1.00 0.00 C ATOM 1050 CG LEU A 66 0.159 -11.048 7.891 1.00 0.00 C ATOM 1051 CD1 LEU A 66 0.480 -9.625 7.485 1.00 0.00 C ATOM 1052 CD2 LEU A 66 -0.633 -11.055 9.189 1.00 0.00 C ATOM 0 H LEU A 66 -2.615 -13.268 6.632 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.319 -10.564 7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.693 -12.836 7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.061 -11.706 5.844 1.00 0.00 H new ATOM 0 HG LEU A 66 1.097 -11.582 8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.032 -9.134 8.286 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.085 -9.633 6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.447 -9.082 7.298 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.066 -10.539 9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.585 -10.547 9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.816 -12.084 9.498 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.024 -11.110 4.061 1.00 0.00 N ATOM 1065 CA PHE A 67 -2.096 -10.419 2.765 1.00 0.00 C ATOM 1066 C PHE A 67 -3.415 -9.671 2.566 1.00 0.00 C ATOM 1067 O PHE A 67 -3.416 -8.526 2.102 1.00 0.00 O ATOM 1068 CB PHE A 67 -1.863 -11.400 1.605 1.00 0.00 C ATOM 1069 CG PHE A 67 -0.477 -11.981 1.571 1.00 0.00 C ATOM 1070 CD1 PHE A 67 0.626 -11.164 1.376 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -0.273 -13.343 1.739 1.00 0.00 C ATOM 1072 CE1 PHE A 67 1.902 -11.692 1.348 1.00 0.00 C ATOM 1073 CE2 PHE A 67 1.001 -13.877 1.712 1.00 0.00 C ATOM 1074 CZ PHE A 67 2.090 -13.051 1.516 1.00 0.00 C ATOM 0 H PHE A 67 -1.900 -12.120 3.997 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.300 -9.674 2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.586 -12.213 1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.055 -10.886 0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.486 -10.101 1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.121 -13.994 1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.752 -11.044 1.195 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.145 -14.939 1.844 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.087 -13.466 1.494 1.00 0.00 H new ATOM 1084 N ASN A 68 -4.530 -10.307 2.924 1.00 0.00 N ATOM 1085 CA ASN A 68 -5.862 -9.697 2.759 1.00 0.00 C ATOM 1086 C ASN A 68 -5.957 -8.351 3.487 1.00 0.00 C ATOM 1087 O ASN A 68 -6.469 -7.375 2.936 1.00 0.00 O ATOM 1088 CB ASN A 68 -6.936 -10.663 3.308 1.00 0.00 C ATOM 1089 CG ASN A 68 -8.373 -10.274 2.954 1.00 0.00 C ATOM 1090 OD1 ASN A 68 -8.700 -9.107 2.767 1.00 0.00 O ATOM 1091 ND2 ASN A 68 -9.238 -11.264 2.876 1.00 0.00 N ATOM 0 H ASN A 68 -4.544 -11.243 3.330 1.00 0.00 H new ATOM 0 HA ASN A 68 -6.027 -9.516 1.697 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.738 -11.664 2.924 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.842 -10.713 4.393 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.215 -11.072 2.654 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.931 -12.223 3.038 1.00 0.00 H new ATOM 1098 N MET A 69 -5.434 -8.297 4.697 1.00 0.00 N ATOM 1099 CA MET A 69 -5.488 -7.065 5.485 1.00 0.00 C ATOM 1100 C MET A 69 -4.598 -5.975 4.874 1.00 0.00 C ATOM 1101 O MET A 69 -4.978 -4.809 4.801 1.00 0.00 O ATOM 1102 CB MET A 69 -5.059 -7.317 6.936 1.00 0.00 C ATOM 1103 CG MET A 69 -5.967 -8.256 7.708 1.00 0.00 C ATOM 1104 SD MET A 69 -5.489 -8.400 9.448 1.00 0.00 S ATOM 1105 CE MET A 69 -3.856 -9.121 9.300 1.00 0.00 C ATOM 0 H MET A 69 -4.970 -9.079 5.158 1.00 0.00 H new ATOM 0 HA MET A 69 -6.523 -6.724 5.474 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.049 -7.727 6.937 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.016 -6.362 7.460 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.994 -7.898 7.644 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.944 -9.242 7.245 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.637 -9.711 10.190 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.821 -9.764 8.421 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.116 -8.327 9.199 1.00 0.00 H new ATOM 1115 N CYS A 70 -3.423 -6.384 4.420 1.00 0.00 N ATOM 1116 CA CYS A 70 -2.400 -5.460 3.928 1.00 0.00 C ATOM 1117 C CYS A 70 -2.765 -4.746 2.618 1.00 0.00 C ATOM 1118 O CYS A 70 -2.461 -3.564 2.456 1.00 0.00 O ATOM 1119 CB CYS A 70 -1.076 -6.198 3.758 1.00 0.00 C ATOM 1120 SG CYS A 70 -0.396 -6.859 5.294 1.00 0.00 S ATOM 0 H CYS A 70 -3.147 -7.365 4.380 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.318 -4.678 4.683 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.218 -7.018 3.054 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.348 -5.519 3.314 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.028 -7.948 5.615 1.00 0.00 H new ATOM 1126 N THR A 71 -3.416 -5.440 1.692 1.00 0.00 N ATOM 1127 CA THR A 71 -3.659 -4.879 0.368 1.00 0.00 C ATOM 1128 C THR A 71 -4.764 -3.805 0.354 1.00 0.00 C ATOM 1129 O THR A 71 -4.704 -2.863 -0.441 1.00 0.00 O ATOM 1130 CB THR A 71 -3.981 -5.991 -0.677 1.00 0.00 C ATOM 1131 OG1 THR A 71 -4.148 -5.413 -1.975 1.00 0.00 O ATOM 1132 CG2 THR A 71 -5.239 -6.762 -0.301 1.00 0.00 C ATOM 0 H THR A 71 -3.782 -6.382 1.830 1.00 0.00 H new ATOM 0 HA THR A 71 -2.728 -4.386 0.087 1.00 0.00 H new ATOM 0 HB THR A 71 -3.142 -6.687 -0.688 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.348 -6.119 -2.624 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.434 -7.529 -1.051 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.100 -7.233 0.672 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.085 -6.077 -0.255 1.00 0.00 H new ATOM 1140 N ASP A 72 -5.761 -3.945 1.229 1.00 0.00 N ATOM 1141 CA ASP A 72 -6.915 -3.032 1.232 1.00 0.00 C ATOM 1142 C ASP A 72 -6.511 -1.574 1.495 1.00 0.00 C ATOM 1143 O ASP A 72 -6.846 -0.677 0.714 1.00 0.00 O ATOM 1144 CB ASP A 72 -7.944 -3.476 2.272 1.00 0.00 C ATOM 1145 CG ASP A 72 -9.237 -2.690 2.178 1.00 0.00 C ATOM 1146 OD1 ASP A 72 -9.356 -1.632 2.839 1.00 0.00 O ATOM 1147 OD2 ASP A 72 -10.143 -3.121 1.435 1.00 0.00 O ATOM 0 H ASP A 72 -5.797 -4.674 1.941 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.354 -3.077 0.235 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.156 -4.537 2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.522 -3.358 3.270 1.00 0.00 H new ATOM 1152 N TRP A 73 -5.781 -1.352 2.585 1.00 0.00 N ATOM 1153 CA TRP A 73 -5.335 -0.015 2.997 1.00 0.00 C ATOM 1154 C TRP A 73 -4.538 0.732 1.911 1.00 0.00 C ATOM 1155 O TRP A 73 -4.587 1.962 1.844 1.00 0.00 O ATOM 1156 CB TRP A 73 -4.520 -0.125 4.296 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.143 1.194 4.916 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.914 1.966 5.739 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -2.896 1.879 4.781 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -4.221 3.092 6.111 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -2.980 3.059 5.539 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -1.722 1.608 4.089 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -1.927 3.963 5.628 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -0.674 2.503 4.175 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -0.784 3.669 4.939 1.00 0.00 C ATOM 0 H TRP A 73 -5.478 -2.096 3.214 1.00 0.00 H new ATOM 0 HA TRP A 73 -6.230 0.583 3.166 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -5.094 -0.701 5.022 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.609 -0.688 4.091 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -5.920 1.726 6.051 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -4.575 3.833 6.716 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -1.631 0.712 3.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -2.009 4.863 6.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 0.244 2.299 3.644 1.00 0.00 H new ATOM 0 HH2 TRP A 73 0.052 4.351 4.986 1.00 0.00 H new ATOM 1176 N LEU A 74 -3.819 0.002 1.069 1.00 0.00 N ATOM 1177 CA LEU A 74 -2.985 0.642 0.045 1.00 0.00 C ATOM 1178 C LEU A 74 -3.824 1.498 -0.920 1.00 0.00 C ATOM 1179 O LEU A 74 -3.465 2.629 -1.215 1.00 0.00 O ATOM 1180 CB LEU A 74 -2.192 -0.406 -0.753 1.00 0.00 C ATOM 1181 CG LEU A 74 -1.052 -1.121 -0.013 1.00 0.00 C ATOM 1182 CD1 LEU A 74 -0.510 -2.268 -0.862 1.00 0.00 C ATOM 1183 CD2 LEU A 74 0.063 -0.138 0.314 1.00 0.00 C ATOM 0 H LEU A 74 -3.791 -1.018 1.068 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.288 1.297 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.891 -1.161 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.773 0.082 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.443 -1.529 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.298 -2.767 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.309 -2.982 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.131 -1.875 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.865 -0.658 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.452 0.291 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.328 0.658 0.947 1.00 0.00 H new ATOM 1195 N ASN A 75 -4.954 0.967 -1.376 1.00 0.00 N ATOM 1196 CA ASN A 75 -5.814 1.697 -2.325 1.00 0.00 C ATOM 1197 C ASN A 75 -6.591 2.806 -1.607 1.00 0.00 C ATOM 1198 O ASN A 75 -7.037 3.780 -2.217 1.00 0.00 O ATOM 1199 CB ASN A 75 -6.785 0.746 -3.036 1.00 0.00 C ATOM 1200 CG ASN A 75 -7.419 1.387 -4.264 1.00 0.00 C ATOM 1201 OD1 ASN A 75 -6.789 2.193 -4.946 1.00 0.00 O ATOM 1202 ND2 ASN A 75 -8.658 1.038 -4.551 1.00 0.00 N ATOM 0 H ASN A 75 -5.300 0.044 -1.112 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.169 2.151 -3.077 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.254 -0.158 -3.333 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.568 0.442 -2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.126 1.440 -5.363 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.148 0.366 -3.961 1.00 0.00 H new ATOM 1209 N HIS A 76 -6.722 2.641 -0.298 1.00 0.00 N ATOM 1210 CA HIS A 76 -7.459 3.568 0.566 1.00 0.00 C ATOM 1211 C HIS A 76 -6.936 5.015 0.478 1.00 0.00 C ATOM 1212 O HIS A 76 -7.723 5.960 0.412 1.00 0.00 O ATOM 1213 CB HIS A 76 -7.425 3.032 2.024 1.00 0.00 C ATOM 1214 CG HIS A 76 -7.446 4.072 3.109 1.00 0.00 C ATOM 1215 ND1 HIS A 76 -8.591 4.705 3.539 1.00 0.00 N ATOM 1216 CD2 HIS A 76 -6.434 4.583 3.852 1.00 0.00 C ATOM 1217 CE1 HIS A 76 -8.287 5.561 4.494 1.00 0.00 C ATOM 1218 NE2 HIS A 76 -6.984 5.506 4.703 1.00 0.00 N ATOM 0 H HIS A 76 -6.316 1.852 0.205 1.00 0.00 H new ATOM 0 HA HIS A 76 -8.491 3.614 0.217 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.279 2.370 2.167 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.527 2.426 2.146 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.390 4.313 3.786 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.985 6.199 5.017 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.470 6.061 5.387 1.00 0.00 H new ATOM 1226 N MET A 77 -5.623 5.181 0.474 1.00 0.00 N ATOM 1227 CA MET A 77 -5.026 6.523 0.463 1.00 0.00 C ATOM 1228 C MET A 77 -5.287 7.279 -0.840 1.00 0.00 C ATOM 1229 O MET A 77 -5.438 8.503 -0.832 1.00 0.00 O ATOM 1230 CB MET A 77 -3.525 6.476 0.755 1.00 0.00 C ATOM 1231 CG MET A 77 -2.724 5.574 -0.173 1.00 0.00 C ATOM 1232 SD MET A 77 -0.950 5.759 0.064 1.00 0.00 S ATOM 1233 CE MET A 77 -0.795 5.285 1.779 1.00 0.00 C ATOM 0 H MET A 77 -4.949 4.416 0.478 1.00 0.00 H new ATOM 0 HA MET A 77 -5.520 7.074 1.263 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.124 7.488 0.691 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.379 6.140 1.781 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.006 4.535 0.000 1.00 0.00 H new ATOM 0 HG3 MET A 77 -2.977 5.804 -1.208 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.013 5.879 2.252 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.742 5.458 2.291 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.536 4.228 1.842 1.00 0.00 H new ATOM 1243 N TYR A 78 -5.358 6.552 -1.947 1.00 0.00 N ATOM 1244 CA TYR A 78 -5.539 7.172 -3.265 1.00 0.00 C ATOM 1245 C TYR A 78 -6.822 7.992 -3.339 1.00 0.00 C ATOM 1246 O TYR A 78 -6.819 9.116 -3.829 1.00 0.00 O ATOM 1247 CB TYR A 78 -5.576 6.105 -4.359 1.00 0.00 C ATOM 1248 CG TYR A 78 -4.265 5.412 -4.613 1.00 0.00 C ATOM 1249 CD1 TYR A 78 -3.841 4.376 -3.804 1.00 0.00 C ATOM 1250 CD2 TYR A 78 -3.456 5.784 -5.680 1.00 0.00 C ATOM 1251 CE1 TYR A 78 -2.653 3.728 -4.042 1.00 0.00 C ATOM 1252 CE2 TYR A 78 -2.265 5.143 -5.921 1.00 0.00 C ATOM 1253 CZ TYR A 78 -1.869 4.115 -5.098 1.00 0.00 C ATOM 1254 OH TYR A 78 -0.691 3.471 -5.335 1.00 0.00 O ATOM 0 H TYR A 78 -5.294 5.534 -1.965 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.690 7.838 -3.418 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.320 5.355 -4.090 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.911 6.568 -5.287 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.454 4.070 -2.969 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.768 6.589 -6.329 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.338 2.918 -3.401 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.644 5.445 -6.751 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.867 2.628 -5.803 1.00 0.00 H new ATOM 1264 N ASP A 79 -7.894 7.437 -2.813 1.00 0.00 N ATOM 1265 CA ASP A 79 -9.227 8.042 -2.910 1.00 0.00 C ATOM 1266 C ASP A 79 -9.316 9.417 -2.230 1.00 0.00 C ATOM 1267 O ASP A 79 -10.084 10.280 -2.662 1.00 0.00 O ATOM 1268 CB ASP A 79 -10.270 7.088 -2.329 1.00 0.00 C ATOM 1269 CG ASP A 79 -11.689 7.604 -2.454 1.00 0.00 C ATOM 1270 OD1 ASP A 79 -12.100 7.980 -3.572 1.00 0.00 O ATOM 1271 OD2 ASP A 79 -12.407 7.617 -1.434 1.00 0.00 O ATOM 0 H ASP A 79 -7.877 6.553 -2.304 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.427 8.211 -3.968 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.195 6.126 -2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.046 6.913 -1.277 1.00 0.00 H new ATOM 1276 N GLN A 80 -8.532 9.626 -1.187 1.00 0.00 N ATOM 1277 CA GLN A 80 -8.590 10.884 -0.440 1.00 0.00 C ATOM 1278 C GLN A 80 -7.796 12.012 -1.120 1.00 0.00 C ATOM 1279 O GLN A 80 -8.238 13.158 -1.148 1.00 0.00 O ATOM 1280 CB GLN A 80 -8.099 10.692 0.996 1.00 0.00 C ATOM 1281 CG GLN A 80 -9.000 9.809 1.847 1.00 0.00 C ATOM 1282 CD GLN A 80 -8.469 9.624 3.255 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -7.260 9.608 3.480 1.00 0.00 O ATOM 1284 NE2 GLN A 80 -9.367 9.501 4.217 1.00 0.00 N ATOM 0 H GLN A 80 -7.852 8.952 -0.835 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.638 11.184 -0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.100 10.257 0.972 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.010 11.669 1.472 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.996 10.249 1.893 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.104 8.834 1.370 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.362 9.519 3.992 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.065 9.388 5.185 1.00 0.00 H new ATOM 1293 N LEU A 81 -6.636 11.679 -1.673 1.00 0.00 N ATOM 1294 CA LEU A 81 -5.759 12.695 -2.278 1.00 0.00 C ATOM 1295 C LEU A 81 -6.233 13.115 -3.667 1.00 0.00 C ATOM 1296 O LEU A 81 -5.845 14.166 -4.165 1.00 0.00 O ATOM 1297 CB LEU A 81 -4.317 12.186 -2.352 1.00 0.00 C ATOM 1298 CG LEU A 81 -3.657 11.819 -1.016 1.00 0.00 C ATOM 1299 CD1 LEU A 81 -2.256 11.272 -1.248 1.00 0.00 C ATOM 1300 CD2 LEU A 81 -3.605 13.023 -0.082 1.00 0.00 C ATOM 0 H LEU A 81 -6.276 10.726 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.801 13.574 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.297 11.307 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.709 12.950 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.263 11.046 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.802 11.017 -0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.312 10.380 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.649 12.027 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.133 12.735 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.028 13.821 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.618 13.375 0.114 1.00 0.00 H new ATOM 1312 N LYS A 82 -7.065 12.296 -4.291 1.00 0.00 N ATOM 1313 CA LYS A 82 -7.584 12.598 -5.625 1.00 0.00 C ATOM 1314 C LYS A 82 -8.425 13.871 -5.624 1.00 0.00 C ATOM 1315 O LYS A 82 -8.414 14.627 -6.592 1.00 0.00 O ATOM 1316 CB LYS A 82 -8.397 11.424 -6.171 1.00 0.00 C ATOM 1317 CG LYS A 82 -7.564 10.194 -6.486 1.00 0.00 C ATOM 1318 CD LYS A 82 -8.429 9.041 -6.958 1.00 0.00 C ATOM 1319 CE LYS A 82 -7.600 7.805 -7.264 1.00 0.00 C ATOM 1320 NZ LYS A 82 -8.448 6.664 -7.693 1.00 0.00 N ATOM 0 H LYS A 82 -7.398 11.415 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.727 12.763 -6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.163 11.156 -5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.914 11.742 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.830 10.438 -7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.008 9.893 -5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.168 8.803 -6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.979 9.340 -7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.878 8.036 -8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.030 7.522 -6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.846 5.840 -7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.120 6.427 -6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.973 6.925 -8.552 1.00 0.00 H new ATOM 1334 N ASP A 83 -9.153 14.097 -4.537 1.00 0.00 N ATOM 1335 CA ASP A 83 -10.023 15.270 -4.418 1.00 0.00 C ATOM 1336 C ASP A 83 -9.225 16.565 -4.449 1.00 0.00 C ATOM 1337 O ASP A 83 -9.665 17.567 -5.022 1.00 0.00 O ATOM 1338 CB ASP A 83 -10.853 15.214 -3.138 1.00 0.00 C ATOM 1339 CG ASP A 83 -11.900 14.125 -3.166 1.00 0.00 C ATOM 1340 OD1 ASP A 83 -12.689 14.076 -4.140 1.00 0.00 O ATOM 1341 OD2 ASP A 83 -11.945 13.320 -2.217 1.00 0.00 O ATOM 0 H ASP A 83 -9.161 13.484 -3.722 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.693 15.254 -5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.190 15.053 -2.288 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.341 16.177 -2.984 1.00 0.00 H new ATOM 1346 N TRP A 84 -8.056 16.549 -3.831 1.00 0.00 N ATOM 1347 CA TRP A 84 -7.213 17.726 -3.775 1.00 0.00 C ATOM 1348 C TRP A 84 -5.764 17.389 -4.125 1.00 0.00 C ATOM 1349 O TRP A 84 -4.999 16.902 -3.295 1.00 0.00 O ATOM 1350 CB TRP A 84 -7.322 18.419 -2.397 1.00 0.00 C ATOM 1351 CG TRP A 84 -6.995 17.543 -1.214 1.00 0.00 C ATOM 1352 CD1 TRP A 84 -7.770 16.552 -0.687 1.00 0.00 C ATOM 1353 CD2 TRP A 84 -5.818 17.607 -0.398 1.00 0.00 C ATOM 1354 NE1 TRP A 84 -7.140 15.982 0.390 1.00 0.00 N ATOM 1355 CE2 TRP A 84 -5.941 16.614 0.591 1.00 0.00 C ATOM 1356 CE3 TRP A 84 -4.671 18.403 -0.414 1.00 0.00 C ATOM 1357 CZ2 TRP A 84 -4.959 16.396 1.554 1.00 0.00 C ATOM 1358 CZ3 TRP A 84 -3.699 18.189 0.541 1.00 0.00 C ATOM 1359 CH2 TRP A 84 -3.847 17.193 1.515 1.00 0.00 C ATOM 0 H TRP A 84 -7.670 15.730 -3.360 1.00 0.00 H new ATOM 0 HA TRP A 84 -7.569 18.431 -4.526 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -6.655 19.281 -2.387 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -8.336 18.800 -2.278 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -8.739 16.259 -1.063 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.505 15.212 0.951 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -4.547 19.173 -1.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -5.071 15.627 2.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -2.808 18.800 0.538 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.068 17.051 2.250 1.00 0.00 H new ATOM 1370 N LYS A 85 -5.394 17.633 -5.365 1.00 0.00 N ATOM 1371 CA LYS A 85 -4.047 17.345 -5.819 1.00 0.00 C ATOM 1372 C LYS A 85 -3.237 18.629 -5.952 1.00 0.00 C ATOM 1373 O LYS A 85 -2.876 19.207 -4.888 1.00 0.00 O ATOM 1374 CB LYS A 85 -4.094 16.594 -7.151 1.00 0.00 C ATOM 1375 CG LYS A 85 -2.735 16.132 -7.659 1.00 0.00 C ATOM 1376 CD LYS A 85 -2.872 15.278 -8.915 1.00 0.00 C ATOM 1377 CE LYS A 85 -3.414 16.083 -10.086 1.00 0.00 C ATOM 1378 NZ LYS A 85 -3.533 15.260 -11.316 1.00 0.00 N ATOM 0 H LYS A 85 -6.006 18.030 -6.078 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.556 16.713 -5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.743 15.725 -7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.549 17.239 -7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.111 16.999 -7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.229 15.560 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.900 14.861 -9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.536 14.437 -8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.391 16.490 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.757 16.931 -10.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.906 15.845 -12.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.597 14.892 -11.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.180 14.465 -11.141 1.00 0.00 H new TER 1392 LYS A 85