USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 179:sc= 1.1 (180deg=1.09) USER MOD Single : A 2 HIS : no HD1:sc=-0.00202 X(o=-0.002,f=0) USER MOD Single : A 3 MET CE :methyl 160:sc= -0.204 (180deg=-0.801) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc=-0.00981 USER MOD Single : A 17 THR OG1 : rot 72:sc= 1.26 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00629) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= 1.54 (180deg=1.22) USER MOD Single : A 31 LYS NZ :NH3+ -135:sc= 0.0226 (180deg=-0.102) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -37:sc= 0.346 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00526 USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 2.01 (180deg=2.01) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -152:sc= -0.59 (180deg=-0.844) USER MOD Single : A 52 LYS NZ :NH3+ 159:sc= 1.11 (180deg=0.938) USER MOD Single : A 58 MET CE :methyl -179:sc= -0.487 (180deg=-0.493) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 64 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 65 HIS :FLIP no HE2:sc= 0.149 F(o=-0.61,f=0.15) USER MOD Single : A 77 SER OG : rot 38:sc= 0.869 USER MOD Single : A 78 THR OG1 : rot 90:sc= 1.2 USER MOD Single : A 83 ASN : amide:sc= 0.00193 X(o=0.0019,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -132:sc= 1.06 (180deg=0.822) USER MOD Single : A 92 GLN : amide:sc= -0.0291 X(o=-0.029,f=-0.12) USER MOD Single : A 100 THR OG1 : rot 53:sc= 0.558 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.795 -14.790 9.078 1.00 0.00 N ATOM 2 CA GLY A 1 -14.807 -14.904 10.121 1.00 0.00 C ATOM 3 C GLY A 1 -15.866 -15.883 9.720 1.00 0.00 C ATOM 4 O GLY A 1 -15.621 -16.714 8.836 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.077 -14.094 9.365 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.342 -15.715 8.931 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.243 -14.480 8.192 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.342 -15.224 11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.257 -13.929 10.307 1.00 0.00 H new ATOM 10 N HIS A 2 -17.033 -15.789 10.361 1.00 0.00 N ATOM 11 CA HIS A 2 -18.207 -16.646 10.112 1.00 0.00 C ATOM 12 C HIS A 2 -17.923 -18.100 10.511 1.00 0.00 C ATOM 13 O HIS A 2 -18.373 -18.567 11.559 1.00 0.00 O ATOM 14 CB HIS A 2 -18.707 -16.534 8.641 1.00 0.00 C ATOM 15 CG HIS A 2 -19.978 -17.297 8.342 1.00 0.00 C ATOM 16 ND1 HIS A 2 -21.234 -16.748 8.412 1.00 0.00 N ATOM 17 CD2 HIS A 2 -20.160 -18.586 7.968 1.00 0.00 C ATOM 18 CE1 HIS A 2 -22.122 -17.688 8.095 1.00 0.00 C ATOM 19 NE2 HIS A 2 -21.521 -18.831 7.816 1.00 0.00 N ATOM 0 H HIS A 2 -17.198 -15.095 11.091 1.00 0.00 H new ATOM 0 HA HIS A 2 -19.017 -16.284 10.745 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -18.868 -15.482 8.406 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -17.920 -16.892 7.977 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -19.373 -19.309 7.812 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -23.191 -17.536 8.069 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -21.963 -19.710 7.546 1.00 0.00 H new ATOM 27 N MET A 3 -17.159 -18.785 9.706 1.00 0.00 N ATOM 28 CA MET A 3 -16.828 -20.165 9.967 1.00 0.00 C ATOM 29 C MET A 3 -15.323 -20.395 9.790 1.00 0.00 C ATOM 30 O MET A 3 -14.786 -21.424 10.187 1.00 0.00 O ATOM 31 CB MET A 3 -17.665 -21.066 9.051 1.00 0.00 C ATOM 32 CG MET A 3 -17.473 -22.559 9.251 1.00 0.00 C ATOM 33 SD MET A 3 -18.613 -23.540 8.250 1.00 0.00 S ATOM 34 CE MET A 3 -18.265 -22.894 6.618 1.00 0.00 C ATOM 0 H MET A 3 -16.748 -18.407 8.852 1.00 0.00 H new ATOM 0 HA MET A 3 -17.067 -20.418 11.000 1.00 0.00 H new ATOM 0 HB2 MET A 3 -18.718 -20.829 9.201 1.00 0.00 H new ATOM 0 HB3 MET A 3 -17.428 -20.822 8.015 1.00 0.00 H new ATOM 0 HG2 MET A 3 -16.448 -22.828 8.998 1.00 0.00 H new ATOM 0 HG3 MET A 3 -17.616 -22.803 10.304 1.00 0.00 H new ATOM 0 HE1 MET A 3 -18.601 -23.607 5.865 1.00 0.00 H new ATOM 0 HE2 MET A 3 -18.789 -21.948 6.482 1.00 0.00 H new ATOM 0 HE3 MET A 3 -17.192 -22.733 6.512 1.00 0.00 H new ATOM 44 N LEU A 4 -14.646 -19.430 9.202 1.00 0.00 N ATOM 45 CA LEU A 4 -13.210 -19.509 9.028 1.00 0.00 C ATOM 46 C LEU A 4 -12.556 -18.426 9.859 1.00 0.00 C ATOM 47 O LEU A 4 -12.568 -17.247 9.482 1.00 0.00 O ATOM 48 CB LEU A 4 -12.777 -19.392 7.537 1.00 0.00 C ATOM 49 CG LEU A 4 -13.093 -20.579 6.585 1.00 0.00 C ATOM 50 CD1 LEU A 4 -12.515 -21.885 7.105 1.00 0.00 C ATOM 51 CD2 LEU A 4 -14.584 -20.714 6.299 1.00 0.00 C ATOM 0 H LEU A 4 -15.070 -18.578 8.835 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.883 -20.493 9.364 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.246 -18.499 7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.700 -19.225 7.515 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.605 -20.352 5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.757 -22.691 6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.432 -21.794 7.193 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.941 -22.107 8.083 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.751 -21.558 5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.120 -20.881 7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -14.949 -19.800 5.829 1.00 0.00 H new ATOM 63 N ARG A 5 -12.015 -18.817 10.993 1.00 0.00 N ATOM 64 CA ARG A 5 -11.410 -17.890 11.938 1.00 0.00 C ATOM 65 C ARG A 5 -10.021 -17.435 11.478 1.00 0.00 C ATOM 66 O ARG A 5 -9.592 -16.314 11.778 1.00 0.00 O ATOM 67 CB ARG A 5 -11.356 -18.513 13.353 1.00 0.00 C ATOM 68 CG ARG A 5 -10.731 -17.621 14.422 1.00 0.00 C ATOM 69 CD ARG A 5 -11.490 -16.314 14.562 1.00 0.00 C ATOM 70 NE ARG A 5 -10.829 -15.391 15.481 1.00 0.00 N ATOM 71 CZ ARG A 5 -10.844 -14.057 15.369 1.00 0.00 C ATOM 72 NH1 ARG A 5 -11.501 -13.474 14.364 1.00 0.00 N ATOM 73 NH2 ARG A 5 -10.199 -13.312 16.261 1.00 0.00 N ATOM 0 H ARG A 5 -11.980 -19.792 11.291 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.039 -17.001 11.980 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.370 -18.769 13.661 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.793 -19.445 13.303 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.725 -18.145 15.378 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.692 -17.415 14.165 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.586 -15.844 13.583 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.500 -16.518 14.918 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.318 -15.793 16.267 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.994 -14.045 13.678 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -11.510 -12.457 14.282 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.695 -13.757 17.028 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.208 -12.295 16.179 1.00 0.00 H new ATOM 87 N THR A 6 -9.334 -18.280 10.739 1.00 0.00 N ATOM 88 CA THR A 6 -8.012 -17.948 10.245 1.00 0.00 C ATOM 89 C THR A 6 -8.115 -16.858 9.150 1.00 0.00 C ATOM 90 O THR A 6 -7.204 -16.050 8.955 1.00 0.00 O ATOM 91 CB THR A 6 -7.311 -19.217 9.697 1.00 0.00 C ATOM 92 OG1 THR A 6 -7.392 -20.263 10.693 1.00 0.00 O ATOM 93 CG2 THR A 6 -5.841 -18.952 9.391 1.00 0.00 C ATOM 0 H THR A 6 -9.669 -19.204 10.466 1.00 0.00 H new ATOM 0 HA THR A 6 -7.412 -17.556 11.066 1.00 0.00 H new ATOM 0 HB THR A 6 -7.811 -19.513 8.774 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.953 -21.071 10.355 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.379 -19.862 9.009 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.762 -18.163 8.643 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.330 -18.641 10.302 1.00 0.00 H new ATOM 101 N ALA A 7 -9.245 -16.815 8.483 1.00 0.00 N ATOM 102 CA ALA A 7 -9.470 -15.843 7.444 1.00 0.00 C ATOM 103 C ALA A 7 -10.216 -14.649 8.015 1.00 0.00 C ATOM 104 O ALA A 7 -10.983 -14.785 8.975 1.00 0.00 O ATOM 105 CB ALA A 7 -10.248 -16.466 6.302 1.00 0.00 C ATOM 0 H ALA A 7 -10.028 -17.449 8.645 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.510 -15.504 7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.411 -15.721 5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.683 -17.303 5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.210 -16.823 6.669 1.00 0.00 H new ATOM 111 N GLY A 8 -9.980 -13.493 7.461 1.00 0.00 N ATOM 112 CA GLY A 8 -10.652 -12.300 7.919 1.00 0.00 C ATOM 113 C GLY A 8 -9.729 -11.118 7.918 1.00 0.00 C ATOM 114 O GLY A 8 -10.119 -10.010 7.554 1.00 0.00 O ATOM 0 H GLY A 8 -9.328 -13.347 6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.509 -12.095 7.278 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.038 -12.461 8.926 1.00 0.00 H new ATOM 118 N ARG A 9 -8.496 -11.356 8.290 1.00 0.00 N ATOM 119 CA ARG A 9 -7.497 -10.318 8.309 1.00 0.00 C ATOM 120 C ARG A 9 -6.317 -10.712 7.444 1.00 0.00 C ATOM 121 O ARG A 9 -5.664 -11.741 7.692 1.00 0.00 O ATOM 122 CB ARG A 9 -7.016 -10.028 9.738 1.00 0.00 C ATOM 123 CG ARG A 9 -5.897 -8.986 9.802 1.00 0.00 C ATOM 124 CD ARG A 9 -5.419 -8.746 11.220 1.00 0.00 C ATOM 125 NE ARG A 9 -6.467 -8.172 12.067 1.00 0.00 N ATOM 126 CZ ARG A 9 -6.260 -7.607 13.261 1.00 0.00 C ATOM 127 NH1 ARG A 9 -5.036 -7.559 13.783 1.00 0.00 N ATOM 128 NH2 ARG A 9 -7.272 -7.084 13.925 1.00 0.00 N ATOM 0 H ARG A 9 -8.158 -12.271 8.587 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.954 -9.411 7.912 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.860 -9.681 10.334 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.665 -10.955 10.191 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.059 -9.317 9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.252 -8.047 9.376 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.080 -9.688 11.652 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.560 -8.076 11.203 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.426 -8.206 11.720 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.247 -7.955 13.271 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.887 -7.126 14.694 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.211 -7.111 13.528 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.116 -6.653 14.836 1.00 0.00 H new ATOM 142 N ASP A 10 -6.064 -9.926 6.441 1.00 0.00 N ATOM 143 CA ASP A 10 -4.920 -10.113 5.586 1.00 0.00 C ATOM 144 C ASP A 10 -4.237 -8.772 5.468 1.00 0.00 C ATOM 145 O ASP A 10 -4.895 -7.734 5.567 1.00 0.00 O ATOM 146 CB ASP A 10 -5.320 -10.642 4.178 1.00 0.00 C ATOM 147 CG ASP A 10 -5.333 -9.575 3.085 1.00 0.00 C ATOM 148 OD1 ASP A 10 -4.271 -9.371 2.439 1.00 0.00 O ATOM 149 OD2 ASP A 10 -6.405 -8.941 2.848 1.00 0.00 O ATOM 0 H ASP A 10 -6.648 -9.129 6.187 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.257 -10.864 6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.627 -11.432 3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.310 -11.093 4.240 1.00 0.00 H new ATOM 154 N GLY A 11 -2.955 -8.793 5.339 1.00 0.00 N ATOM 155 CA GLY A 11 -2.204 -7.587 5.151 1.00 0.00 C ATOM 156 C GLY A 11 -1.054 -7.857 4.241 1.00 0.00 C ATOM 157 O GLY A 11 -0.015 -7.222 4.323 1.00 0.00 O ATOM 0 H GLY A 11 -2.392 -9.643 5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.842 -6.810 4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.844 -7.217 6.111 1.00 0.00 H new ATOM 161 N LEU A 12 -1.254 -8.809 3.362 1.00 0.00 N ATOM 162 CA LEU A 12 -0.207 -9.251 2.472 1.00 0.00 C ATOM 163 C LEU A 12 -0.788 -9.597 1.123 1.00 0.00 C ATOM 164 O LEU A 12 -0.313 -9.118 0.099 1.00 0.00 O ATOM 165 CB LEU A 12 0.530 -10.465 3.075 1.00 0.00 C ATOM 166 CG LEU A 12 1.652 -11.088 2.232 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.766 -10.093 1.984 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.195 -12.331 2.912 1.00 0.00 C ATOM 0 H LEU A 12 -2.142 -9.297 3.243 1.00 0.00 H new ATOM 0 HA LEU A 12 0.513 -8.443 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.954 -10.163 4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.208 -11.240 3.283 1.00 0.00 H new ATOM 0 HG LEU A 12 1.232 -11.370 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.546 -10.562 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.370 -9.229 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.185 -9.771 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.990 -12.761 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.592 -12.066 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.394 -13.060 3.031 1.00 0.00 H new ATOM 180 N CYS A 13 -1.839 -10.386 1.129 1.00 0.00 N ATOM 181 CA CYS A 13 -2.482 -10.829 -0.088 1.00 0.00 C ATOM 182 C CYS A 13 -3.091 -9.639 -0.843 1.00 0.00 C ATOM 183 O CYS A 13 -2.826 -9.436 -2.039 1.00 0.00 O ATOM 184 CB CYS A 13 -3.555 -11.880 0.247 1.00 0.00 C ATOM 185 SG CYS A 13 -4.412 -12.575 -1.182 1.00 0.00 S ATOM 0 H CYS A 13 -2.274 -10.740 1.981 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.737 -11.286 -0.739 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.086 -12.693 0.801 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.292 -11.427 0.909 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.288 -13.447 -0.780 1.00 0.00 H new ATOM 191 N ARG A 14 -3.856 -8.841 -0.127 1.00 0.00 N ATOM 192 CA ARG A 14 -4.537 -7.665 -0.664 1.00 0.00 C ATOM 193 C ARG A 14 -3.497 -6.666 -1.136 1.00 0.00 C ATOM 194 O ARG A 14 -3.585 -6.105 -2.231 1.00 0.00 O ATOM 195 CB ARG A 14 -5.325 -7.039 0.464 1.00 0.00 C ATOM 196 CG ARG A 14 -6.391 -6.053 0.062 1.00 0.00 C ATOM 197 CD ARG A 14 -6.945 -5.361 1.293 1.00 0.00 C ATOM 198 NE ARG A 14 -7.210 -6.306 2.392 1.00 0.00 N ATOM 199 CZ ARG A 14 -7.859 -6.021 3.519 1.00 0.00 C ATOM 200 NH1 ARG A 14 -8.390 -4.811 3.716 1.00 0.00 N ATOM 201 NH2 ARG A 14 -7.967 -6.955 4.449 1.00 0.00 N ATOM 0 H ARG A 14 -4.030 -8.989 0.867 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.188 -7.942 -1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.795 -7.837 1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.626 -6.535 1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.976 -5.315 -0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.193 -6.567 -0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.238 -4.603 1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.868 -4.843 1.032 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.867 -7.260 2.280 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.301 -4.092 2.998 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.885 -4.606 4.584 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.556 -7.876 4.297 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.461 -6.754 5.319 1.00 0.00 H new ATOM 215 N LEU A 15 -2.502 -6.500 -0.289 1.00 0.00 N ATOM 216 CA LEU A 15 -1.381 -5.616 -0.490 1.00 0.00 C ATOM 217 C LEU A 15 -0.679 -5.950 -1.806 1.00 0.00 C ATOM 218 O LEU A 15 -0.549 -5.097 -2.689 1.00 0.00 O ATOM 219 CB LEU A 15 -0.438 -5.802 0.710 1.00 0.00 C ATOM 220 CG LEU A 15 0.869 -5.026 0.722 1.00 0.00 C ATOM 221 CD1 LEU A 15 0.616 -3.552 0.676 1.00 0.00 C ATOM 222 CD2 LEU A 15 1.655 -5.372 1.964 1.00 0.00 C ATOM 0 H LEU A 15 -2.454 -7.002 0.597 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.703 -4.577 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.990 -5.538 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.197 -6.862 0.783 1.00 0.00 H new ATOM 0 HG LEU A 15 1.443 -5.303 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.567 -3.019 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.071 -3.305 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.026 -3.257 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.591 -4.814 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.072 -5.112 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.870 -6.441 1.973 1.00 0.00 H new ATOM 234 N SER A 16 -0.304 -7.205 -1.941 1.00 0.00 N ATOM 235 CA SER A 16 0.385 -7.712 -3.105 1.00 0.00 C ATOM 236 C SER A 16 -0.487 -7.518 -4.362 1.00 0.00 C ATOM 237 O SER A 16 -0.006 -7.031 -5.378 1.00 0.00 O ATOM 238 CB SER A 16 0.715 -9.203 -2.865 1.00 0.00 C ATOM 239 OG SER A 16 1.627 -9.739 -3.814 1.00 0.00 O ATOM 0 H SER A 16 -0.474 -7.915 -1.228 1.00 0.00 H new ATOM 0 HA SER A 16 1.314 -7.165 -3.269 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.133 -9.319 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.209 -9.781 -2.893 1.00 0.00 H new ATOM 0 HG SER A 16 1.797 -10.682 -3.608 1.00 0.00 H new ATOM 245 N THR A 17 -1.780 -7.833 -4.238 1.00 0.00 N ATOM 246 CA THR A 17 -2.732 -7.742 -5.343 1.00 0.00 C ATOM 247 C THR A 17 -2.803 -6.309 -5.946 1.00 0.00 C ATOM 248 O THR A 17 -2.836 -6.140 -7.174 1.00 0.00 O ATOM 249 CB THR A 17 -4.138 -8.221 -4.882 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.049 -9.588 -4.411 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.156 -8.151 -6.013 1.00 0.00 C ATOM 0 H THR A 17 -2.194 -8.159 -3.365 1.00 0.00 H new ATOM 0 HA THR A 17 -2.376 -8.399 -6.137 1.00 0.00 H new ATOM 0 HB THR A 17 -4.471 -7.560 -4.082 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.576 -9.608 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.126 -8.494 -5.652 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.242 -7.122 -6.362 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.830 -8.787 -6.836 1.00 0.00 H new ATOM 259 N TYR A 18 -2.785 -5.293 -5.098 1.00 0.00 N ATOM 260 CA TYR A 18 -2.850 -3.925 -5.588 1.00 0.00 C ATOM 261 C TYR A 18 -1.511 -3.412 -6.061 1.00 0.00 C ATOM 262 O TYR A 18 -1.441 -2.670 -7.041 1.00 0.00 O ATOM 263 CB TYR A 18 -3.500 -2.974 -4.586 1.00 0.00 C ATOM 264 CG TYR A 18 -4.986 -3.186 -4.473 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.825 -2.787 -5.503 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.549 -3.795 -3.366 1.00 0.00 C ATOM 267 CE1 TYR A 18 -7.181 -2.986 -5.433 1.00 0.00 C ATOM 268 CE2 TYR A 18 -6.911 -4.003 -3.286 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.722 -3.593 -4.326 1.00 0.00 C ATOM 270 OH TYR A 18 -9.077 -3.798 -4.264 1.00 0.00 O ATOM 0 H TYR A 18 -2.727 -5.386 -4.084 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.500 -3.954 -6.462 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.041 -3.113 -3.607 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.305 -1.945 -4.887 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.403 -2.311 -6.376 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.914 -4.112 -2.552 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.819 -2.667 -6.244 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.339 -4.482 -2.418 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.303 -4.239 -3.418 1.00 0.00 H new ATOM 280 N LEU A 19 -0.448 -3.837 -5.413 1.00 0.00 N ATOM 281 CA LEU A 19 0.892 -3.418 -5.808 1.00 0.00 C ATOM 282 C LEU A 19 1.288 -4.022 -7.163 1.00 0.00 C ATOM 283 O LEU A 19 2.207 -3.533 -7.824 1.00 0.00 O ATOM 284 CB LEU A 19 1.920 -3.739 -4.715 1.00 0.00 C ATOM 285 CG LEU A 19 1.774 -2.955 -3.393 1.00 0.00 C ATOM 286 CD1 LEU A 19 2.770 -3.456 -2.366 1.00 0.00 C ATOM 287 CD2 LEU A 19 1.965 -1.455 -3.624 1.00 0.00 C ATOM 0 H LEU A 19 -0.478 -4.469 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 19 0.881 -2.335 -5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.861 -4.804 -4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.916 -3.553 -5.116 1.00 0.00 H new ATOM 0 HG LEU A 19 0.765 -3.119 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.653 -2.892 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.591 -4.514 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.783 -3.323 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.857 -0.925 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.960 -1.273 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.214 -1.097 -4.328 1.00 0.00 H new ATOM 299 N GLU A 20 0.576 -5.079 -7.575 1.00 0.00 N ATOM 300 CA GLU A 20 0.771 -5.700 -8.888 1.00 0.00 C ATOM 301 C GLU A 20 0.485 -4.727 -10.005 1.00 0.00 C ATOM 302 O GLU A 20 1.104 -4.792 -11.068 1.00 0.00 O ATOM 303 CB GLU A 20 -0.142 -6.908 -9.089 1.00 0.00 C ATOM 304 CG GLU A 20 0.164 -8.121 -8.245 1.00 0.00 C ATOM 305 CD GLU A 20 -0.736 -9.268 -8.606 1.00 0.00 C ATOM 306 OE1 GLU A 20 -0.819 -9.604 -9.810 1.00 0.00 O ATOM 307 OE2 GLU A 20 -1.368 -9.878 -7.709 1.00 0.00 O ATOM 0 H GLU A 20 -0.147 -5.524 -7.010 1.00 0.00 H new ATOM 0 HA GLU A 20 1.814 -6.015 -8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.168 -6.600 -8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.098 -7.200 -10.138 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.205 -8.413 -8.385 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.041 -7.875 -7.190 1.00 0.00 H new ATOM 314 N GLU A 21 -0.418 -3.805 -9.758 1.00 0.00 N ATOM 315 CA GLU A 21 -0.881 -2.897 -10.787 1.00 0.00 C ATOM 316 C GLU A 21 -0.006 -1.649 -10.893 1.00 0.00 C ATOM 317 O GLU A 21 -0.334 -0.703 -11.621 1.00 0.00 O ATOM 318 CB GLU A 21 -2.346 -2.526 -10.545 1.00 0.00 C ATOM 319 CG GLU A 21 -3.281 -3.732 -10.465 1.00 0.00 C ATOM 320 CD GLU A 21 -3.186 -4.630 -11.681 1.00 0.00 C ATOM 321 OE1 GLU A 21 -3.759 -4.282 -12.738 1.00 0.00 O ATOM 322 OE2 GLU A 21 -2.528 -5.696 -11.601 1.00 0.00 O ATOM 0 H GLU A 21 -0.851 -3.662 -8.845 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.803 -3.414 -11.743 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.419 -1.959 -9.617 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.682 -1.869 -11.347 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.044 -4.311 -9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.308 -3.383 -10.356 1.00 0.00 H new ATOM 329 N LEU A 22 1.104 -1.653 -10.192 1.00 0.00 N ATOM 330 CA LEU A 22 2.020 -0.542 -10.248 1.00 0.00 C ATOM 331 C LEU A 22 3.165 -0.834 -11.204 1.00 0.00 C ATOM 332 O LEU A 22 3.671 -1.966 -11.263 1.00 0.00 O ATOM 333 CB LEU A 22 2.573 -0.188 -8.858 1.00 0.00 C ATOM 334 CG LEU A 22 1.559 0.248 -7.803 1.00 0.00 C ATOM 335 CD1 LEU A 22 2.278 0.674 -6.545 1.00 0.00 C ATOM 336 CD2 LEU A 22 0.679 1.377 -8.313 1.00 0.00 C ATOM 0 H LEU A 22 1.393 -2.414 -9.577 1.00 0.00 H new ATOM 0 HA LEU A 22 1.460 0.318 -10.616 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.109 -1.056 -8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.304 0.612 -8.977 1.00 0.00 H new ATOM 0 HG LEU A 22 0.914 -0.602 -7.580 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.549 0.984 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.862 -0.162 -6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.943 1.508 -6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.031 1.663 -7.537 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.300 2.235 -8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.136 1.044 -9.197 1.00 0.00 H new ATOM 348 N GLU A 23 3.548 0.180 -11.966 1.00 0.00 N ATOM 349 CA GLU A 23 4.669 0.093 -12.898 1.00 0.00 C ATOM 350 C GLU A 23 5.951 0.160 -12.088 1.00 0.00 C ATOM 351 O GLU A 23 5.900 0.448 -10.891 1.00 0.00 O ATOM 352 CB GLU A 23 4.679 1.304 -13.841 1.00 0.00 C ATOM 353 CG GLU A 23 3.338 1.700 -14.416 1.00 0.00 C ATOM 354 CD GLU A 23 3.451 2.836 -15.403 1.00 0.00 C ATOM 355 OE1 GLU A 23 3.766 2.581 -16.577 1.00 0.00 O ATOM 356 OE2 GLU A 23 3.228 4.006 -15.028 1.00 0.00 O ATOM 0 H GLU A 23 3.090 1.091 -11.957 1.00 0.00 H new ATOM 0 HA GLU A 23 4.583 -0.829 -13.474 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.088 2.158 -13.301 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.359 1.093 -14.666 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.887 0.838 -14.908 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.669 1.991 -13.606 1.00 0.00 H new ATOM 363 N ALA A 24 7.091 -0.026 -12.732 1.00 0.00 N ATOM 364 CA ALA A 24 8.369 0.087 -12.050 1.00 0.00 C ATOM 365 C ALA A 24 8.554 1.517 -11.550 1.00 0.00 C ATOM 366 O ALA A 24 9.049 1.736 -10.457 1.00 0.00 O ATOM 367 CB ALA A 24 9.517 -0.334 -12.958 1.00 0.00 C ATOM 0 H ALA A 24 7.158 -0.255 -13.724 1.00 0.00 H new ATOM 0 HA ALA A 24 8.374 -0.589 -11.195 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.460 -0.239 -12.420 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.377 -1.371 -13.264 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.536 0.306 -13.840 1.00 0.00 H new ATOM 373 N VAL A 25 8.104 2.477 -12.350 1.00 0.00 N ATOM 374 CA VAL A 25 8.131 3.885 -11.974 1.00 0.00 C ATOM 375 C VAL A 25 7.217 4.145 -10.757 1.00 0.00 C ATOM 376 O VAL A 25 7.602 4.838 -9.823 1.00 0.00 O ATOM 377 CB VAL A 25 7.761 4.829 -13.177 1.00 0.00 C ATOM 378 CG1 VAL A 25 6.420 4.475 -13.779 1.00 0.00 C ATOM 379 CG2 VAL A 25 7.748 6.281 -12.756 1.00 0.00 C ATOM 0 H VAL A 25 7.711 2.302 -13.275 1.00 0.00 H new ATOM 0 HA VAL A 25 9.156 4.124 -11.690 1.00 0.00 H new ATOM 0 HB VAL A 25 8.534 4.681 -13.932 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.203 5.151 -14.606 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.445 3.449 -14.146 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.644 4.570 -13.020 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.489 6.905 -13.611 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.011 6.424 -11.966 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.735 6.562 -12.388 1.00 0.00 H new ATOM 389 N GLU A 26 6.041 3.525 -10.755 1.00 0.00 N ATOM 390 CA GLU A 26 5.089 3.674 -9.665 1.00 0.00 C ATOM 391 C GLU A 26 5.667 3.062 -8.399 1.00 0.00 C ATOM 392 O GLU A 26 5.609 3.663 -7.329 1.00 0.00 O ATOM 393 CB GLU A 26 3.766 2.998 -10.011 1.00 0.00 C ATOM 394 CG GLU A 26 3.032 3.587 -11.203 1.00 0.00 C ATOM 395 CD GLU A 26 2.542 4.991 -10.967 1.00 0.00 C ATOM 396 OE1 GLU A 26 3.298 5.946 -11.194 1.00 0.00 O ATOM 397 OE2 GLU A 26 1.373 5.167 -10.582 1.00 0.00 O ATOM 0 H GLU A 26 5.725 2.910 -11.504 1.00 0.00 H new ATOM 0 HA GLU A 26 4.902 4.736 -9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.956 1.943 -10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.112 3.048 -9.141 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.695 3.582 -12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.183 2.950 -11.449 1.00 0.00 H new ATOM 404 N LEU A 27 6.252 1.877 -8.548 1.00 0.00 N ATOM 405 CA LEU A 27 6.902 1.178 -7.451 1.00 0.00 C ATOM 406 C LEU A 27 8.067 1.991 -6.920 1.00 0.00 C ATOM 407 O LEU A 27 8.261 2.078 -5.725 1.00 0.00 O ATOM 408 CB LEU A 27 7.372 -0.219 -7.887 1.00 0.00 C ATOM 409 CG LEU A 27 6.268 -1.230 -8.236 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.865 -2.476 -8.864 1.00 0.00 C ATOM 411 CD2 LEU A 27 5.474 -1.604 -6.993 1.00 0.00 C ATOM 0 H LEU A 27 6.287 1.376 -9.436 1.00 0.00 H new ATOM 0 HA LEU A 27 6.173 1.052 -6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.020 -0.106 -8.756 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.981 -0.640 -7.087 1.00 0.00 H new ATOM 0 HG LEU A 27 5.595 -0.763 -8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.068 -3.180 -9.104 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.397 -2.205 -9.776 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.560 -2.939 -8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.697 -2.320 -7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.141 -2.050 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.014 -0.710 -6.572 1.00 0.00 H new ATOM 423 N LYS A 28 8.816 2.600 -7.824 1.00 0.00 N ATOM 424 CA LYS A 28 9.931 3.466 -7.473 1.00 0.00 C ATOM 425 C LYS A 28 9.455 4.633 -6.604 1.00 0.00 C ATOM 426 O LYS A 28 10.062 4.917 -5.570 1.00 0.00 O ATOM 427 CB LYS A 28 10.619 3.984 -8.745 1.00 0.00 C ATOM 428 CG LYS A 28 11.757 4.963 -8.506 1.00 0.00 C ATOM 429 CD LYS A 28 12.323 5.463 -9.823 1.00 0.00 C ATOM 430 CE LYS A 28 13.362 6.555 -9.619 1.00 0.00 C ATOM 431 NZ LYS A 28 14.562 6.088 -8.888 1.00 0.00 N ATOM 0 H LYS A 28 8.667 2.507 -8.829 1.00 0.00 H new ATOM 0 HA LYS A 28 10.653 2.887 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.004 3.132 -9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.871 4.466 -9.374 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.399 5.806 -7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.544 4.479 -7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.773 4.630 -10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.513 5.845 -10.444 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.665 6.945 -10.590 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.909 7.381 -9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.246 6.867 -8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.287 5.772 -7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.996 5.296 -9.404 1.00 0.00 H new ATOM 445 N LYS A 29 8.343 5.262 -7.012 1.00 0.00 N ATOM 446 CA LYS A 29 7.761 6.398 -6.275 1.00 0.00 C ATOM 447 C LYS A 29 7.365 5.932 -4.887 1.00 0.00 C ATOM 448 O LYS A 29 7.783 6.490 -3.876 1.00 0.00 O ATOM 449 CB LYS A 29 6.488 6.890 -6.951 1.00 0.00 C ATOM 450 CG LYS A 29 6.601 7.388 -8.373 1.00 0.00 C ATOM 451 CD LYS A 29 5.218 7.770 -8.856 1.00 0.00 C ATOM 452 CE LYS A 29 5.212 8.326 -10.252 1.00 0.00 C ATOM 453 NZ LYS A 29 3.829 8.548 -10.708 1.00 0.00 N ATOM 0 H LYS A 29 7.825 5.003 -7.852 1.00 0.00 H new ATOM 0 HA LYS A 29 8.503 7.196 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.763 6.076 -6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.075 7.696 -6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.271 8.247 -8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.026 6.615 -9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.572 6.893 -8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.794 8.508 -8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.766 9.264 -10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.719 7.637 -10.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.819 9.286 -11.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.447 7.664 -11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.243 8.851 -9.904 1.00 0.00 H new ATOM 467 N PHE A 30 6.564 4.885 -4.881 1.00 0.00 N ATOM 468 CA PHE A 30 6.059 4.225 -3.695 1.00 0.00 C ATOM 469 C PHE A 30 7.201 3.885 -2.735 1.00 0.00 C ATOM 470 O PHE A 30 7.170 4.240 -1.563 1.00 0.00 O ATOM 471 CB PHE A 30 5.272 2.981 -4.180 1.00 0.00 C ATOM 472 CG PHE A 30 5.088 1.842 -3.222 1.00 0.00 C ATOM 473 CD1 PHE A 30 4.190 1.910 -2.178 1.00 0.00 C ATOM 474 CD2 PHE A 30 5.820 0.682 -3.397 1.00 0.00 C ATOM 475 CE1 PHE A 30 4.033 0.838 -1.324 1.00 0.00 C ATOM 476 CE2 PHE A 30 5.664 -0.386 -2.551 1.00 0.00 C ATOM 477 CZ PHE A 30 4.768 -0.306 -1.513 1.00 0.00 C ATOM 0 H PHE A 30 6.233 4.452 -5.743 1.00 0.00 H new ATOM 0 HA PHE A 30 5.393 4.871 -3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.283 3.314 -4.495 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.775 2.593 -5.066 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.607 2.807 -2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.525 0.616 -4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.331 0.899 -0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.243 -1.286 -2.700 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.641 -1.145 -0.844 1.00 0.00 H new ATOM 487 N LYS A 31 8.222 3.279 -3.267 1.00 0.00 N ATOM 488 CA LYS A 31 9.379 2.874 -2.512 1.00 0.00 C ATOM 489 C LYS A 31 10.164 4.066 -1.950 1.00 0.00 C ATOM 490 O LYS A 31 10.573 4.042 -0.791 1.00 0.00 O ATOM 491 CB LYS A 31 10.249 1.918 -3.379 1.00 0.00 C ATOM 492 CG LYS A 31 11.637 1.542 -2.849 1.00 0.00 C ATOM 493 CD LYS A 31 12.711 2.615 -3.126 1.00 0.00 C ATOM 494 CE LYS A 31 13.000 2.793 -4.620 1.00 0.00 C ATOM 495 NZ LYS A 31 13.549 1.563 -5.235 1.00 0.00 N ATOM 0 H LYS A 31 8.278 3.046 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 31 9.049 2.326 -1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.687 0.997 -3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.377 2.377 -4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.573 1.371 -1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.948 0.601 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.384 3.567 -2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.633 2.341 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.082 3.075 -5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.707 3.612 -4.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.357 1.809 -5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.863 0.912 -4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.813 1.103 -5.808 1.00 0.00 H new ATOM 509 N LEU A 32 10.373 5.103 -2.742 1.00 0.00 N ATOM 510 CA LEU A 32 11.167 6.231 -2.268 1.00 0.00 C ATOM 511 C LEU A 32 10.406 7.027 -1.220 1.00 0.00 C ATOM 512 O LEU A 32 10.989 7.535 -0.268 1.00 0.00 O ATOM 513 CB LEU A 32 11.695 7.116 -3.445 1.00 0.00 C ATOM 514 CG LEU A 32 10.671 7.877 -4.326 1.00 0.00 C ATOM 515 CD1 LEU A 32 10.206 9.181 -3.680 1.00 0.00 C ATOM 516 CD2 LEU A 32 11.236 8.133 -5.711 1.00 0.00 C ATOM 0 H LEU A 32 10.016 5.191 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 32 12.057 5.834 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.379 7.853 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.283 6.475 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 32 9.794 7.237 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.490 9.677 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.732 8.964 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.064 9.834 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.500 8.668 -6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.142 8.733 -5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.472 7.182 -6.189 1.00 0.00 H new ATOM 528 N TYR A 33 9.098 7.049 -1.370 1.00 0.00 N ATOM 529 CA TYR A 33 8.231 7.801 -0.507 1.00 0.00 C ATOM 530 C TYR A 33 8.091 7.164 0.883 1.00 0.00 C ATOM 531 O TYR A 33 7.761 7.852 1.849 1.00 0.00 O ATOM 532 CB TYR A 33 6.856 7.972 -1.171 1.00 0.00 C ATOM 533 CG TYR A 33 5.879 8.791 -0.369 1.00 0.00 C ATOM 534 CD1 TYR A 33 5.900 10.173 -0.420 1.00 0.00 C ATOM 535 CD2 TYR A 33 4.942 8.183 0.447 1.00 0.00 C ATOM 536 CE1 TYR A 33 5.015 10.917 0.317 1.00 0.00 C ATOM 537 CE2 TYR A 33 4.060 8.921 1.182 1.00 0.00 C ATOM 538 CZ TYR A 33 4.095 10.282 1.118 1.00 0.00 C ATOM 539 OH TYR A 33 3.188 11.021 1.856 1.00 0.00 O ATOM 0 H TYR A 33 8.608 6.538 -2.104 1.00 0.00 H new ATOM 0 HA TYR A 33 8.684 8.781 -0.356 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.992 8.441 -2.145 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.426 6.986 -1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.623 10.672 -1.048 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.908 7.105 0.503 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.040 11.996 0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.336 8.427 1.813 1.00 0.00 H new ATOM 0 HH TYR A 33 2.610 10.415 2.365 1.00 0.00 H new ATOM 549 N LEU A 34 8.311 5.867 0.993 1.00 0.00 N ATOM 550 CA LEU A 34 8.174 5.216 2.289 1.00 0.00 C ATOM 551 C LEU A 34 9.434 4.521 2.788 1.00 0.00 C ATOM 552 O LEU A 34 9.646 4.413 3.983 1.00 0.00 O ATOM 553 CB LEU A 34 6.934 4.291 2.333 1.00 0.00 C ATOM 554 CG LEU A 34 6.768 3.205 1.248 1.00 0.00 C ATOM 555 CD1 LEU A 34 7.772 2.067 1.379 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.350 2.677 1.265 1.00 0.00 C ATOM 0 H LEU A 34 8.579 5.253 0.224 1.00 0.00 H new ATOM 0 HA LEU A 34 8.014 6.026 3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.931 3.791 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.049 4.926 2.300 1.00 0.00 H new ATOM 0 HG LEU A 34 6.973 3.677 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.601 1.338 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.784 2.463 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.650 1.584 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.238 1.911 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.134 2.246 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.655 3.493 1.067 1.00 0.00 H new ATOM 568 N GLY A 35 10.284 4.093 1.889 1.00 0.00 N ATOM 569 CA GLY A 35 11.422 3.313 2.294 1.00 0.00 C ATOM 570 C GLY A 35 12.576 4.139 2.800 1.00 0.00 C ATOM 571 O GLY A 35 13.103 3.881 3.873 1.00 0.00 O ATOM 0 H GLY A 35 10.211 4.269 0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.115 2.618 3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.759 2.714 1.448 1.00 0.00 H new ATOM 575 N THR A 36 12.956 5.131 2.038 1.00 0.00 N ATOM 576 CA THR A 36 14.057 6.002 2.397 1.00 0.00 C ATOM 577 C THR A 36 13.468 7.366 2.783 1.00 0.00 C ATOM 578 O THR A 36 14.141 8.402 2.787 1.00 0.00 O ATOM 579 CB THR A 36 15.083 6.114 1.200 1.00 0.00 C ATOM 580 OG1 THR A 36 16.235 6.908 1.546 1.00 0.00 O ATOM 581 CG2 THR A 36 14.427 6.679 -0.059 1.00 0.00 C ATOM 0 H THR A 36 12.514 5.363 1.149 1.00 0.00 H new ATOM 0 HA THR A 36 14.613 5.599 3.244 1.00 0.00 H new ATOM 0 HB THR A 36 15.417 5.097 0.993 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.958 7.655 2.116 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.166 6.740 -0.858 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.611 6.026 -0.368 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.036 7.675 0.150 1.00 0.00 H new ATOM 589 N ALA A 37 12.202 7.323 3.164 1.00 0.00 N ATOM 590 CA ALA A 37 11.442 8.497 3.510 1.00 0.00 C ATOM 591 C ALA A 37 12.029 9.210 4.707 1.00 0.00 C ATOM 592 O ALA A 37 12.340 8.595 5.736 1.00 0.00 O ATOM 593 CB ALA A 37 10.005 8.124 3.790 1.00 0.00 C ATOM 0 H ALA A 37 11.672 6.455 3.240 1.00 0.00 H new ATOM 0 HA ALA A 37 11.483 9.178 2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.441 9.020 4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.569 7.665 2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.967 7.418 4.619 1.00 0.00 H new ATOM 599 N THR A 38 12.162 10.495 4.575 1.00 0.00 N ATOM 600 CA THR A 38 12.684 11.335 5.608 1.00 0.00 C ATOM 601 C THR A 38 11.678 11.404 6.749 1.00 0.00 C ATOM 602 O THR A 38 12.035 11.358 7.928 1.00 0.00 O ATOM 603 CB THR A 38 12.913 12.742 5.041 1.00 0.00 C ATOM 604 OG1 THR A 38 13.577 12.631 3.769 1.00 0.00 O ATOM 605 CG2 THR A 38 13.766 13.566 5.980 1.00 0.00 C ATOM 0 H THR A 38 11.905 10.999 3.727 1.00 0.00 H new ATOM 0 HA THR A 38 13.627 10.931 5.977 1.00 0.00 H new ATOM 0 HB THR A 38 11.949 13.237 4.924 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.726 13.526 3.398 1.00 0.00 H new ATOM 0 HG21 THR A 38 13.916 14.560 5.558 1.00 0.00 H new ATOM 0 HG22 THR A 38 13.266 13.653 6.944 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.732 13.080 6.115 1.00 0.00 H new ATOM 613 N GLU A 39 10.424 11.427 6.364 1.00 0.00 N ATOM 614 CA GLU A 39 9.293 11.544 7.279 1.00 0.00 C ATOM 615 C GLU A 39 9.176 10.325 8.179 1.00 0.00 C ATOM 616 O GLU A 39 8.707 10.419 9.312 1.00 0.00 O ATOM 617 CB GLU A 39 7.997 11.741 6.484 1.00 0.00 C ATOM 618 CG GLU A 39 7.679 10.588 5.542 1.00 0.00 C ATOM 619 CD GLU A 39 6.499 10.865 4.655 1.00 0.00 C ATOM 620 OE1 GLU A 39 6.648 11.619 3.673 1.00 0.00 O ATOM 621 OE2 GLU A 39 5.402 10.334 4.928 1.00 0.00 O ATOM 0 H GLU A 39 10.146 11.364 5.385 1.00 0.00 H new ATOM 0 HA GLU A 39 9.463 12.412 7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.169 11.869 7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.072 12.662 5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.552 10.380 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.483 9.690 6.128 1.00 0.00 H new ATOM 628 N LEU A 40 9.652 9.195 7.687 1.00 0.00 N ATOM 629 CA LEU A 40 9.538 7.946 8.401 1.00 0.00 C ATOM 630 C LEU A 40 10.650 7.830 9.428 1.00 0.00 C ATOM 631 O LEU A 40 10.614 6.974 10.323 1.00 0.00 O ATOM 632 CB LEU A 40 9.632 6.785 7.422 1.00 0.00 C ATOM 633 CG LEU A 40 9.241 5.426 7.987 1.00 0.00 C ATOM 634 CD1 LEU A 40 7.741 5.338 8.208 1.00 0.00 C ATOM 635 CD2 LEU A 40 9.747 4.292 7.121 1.00 0.00 C ATOM 0 H LEU A 40 10.125 9.122 6.786 1.00 0.00 H new ATOM 0 HA LEU A 40 8.575 7.917 8.910 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.994 7.001 6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.655 6.726 7.051 1.00 0.00 H new ATOM 0 HG LEU A 40 9.724 5.322 8.958 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.490 4.357 8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.431 6.111 8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.224 5.483 7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.448 3.339 7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.324 4.382 6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.834 4.338 7.060 1.00 0.00 H new ATOM 647 N GLY A 41 11.638 8.673 9.282 1.00 0.00 N ATOM 648 CA GLY A 41 12.758 8.655 10.169 1.00 0.00 C ATOM 649 C GLY A 41 13.812 7.709 9.669 1.00 0.00 C ATOM 650 O GLY A 41 13.774 6.504 9.988 1.00 0.00 O ATOM 0 H GLY A 41 11.684 9.383 8.551 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.175 9.658 10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.435 8.354 11.166 1.00 0.00 H new ATOM 654 N GLU A 42 14.714 8.246 8.844 1.00 0.00 N ATOM 655 CA GLU A 42 15.826 7.553 8.237 1.00 0.00 C ATOM 656 C GLU A 42 15.366 6.554 7.171 1.00 0.00 C ATOM 657 O GLU A 42 15.647 6.724 5.983 1.00 0.00 O ATOM 658 CB GLU A 42 16.723 6.902 9.293 1.00 0.00 C ATOM 659 CG GLU A 42 17.959 6.279 8.725 1.00 0.00 C ATOM 660 CD GLU A 42 18.867 7.286 8.064 1.00 0.00 C ATOM 661 OE1 GLU A 42 19.711 7.886 8.749 1.00 0.00 O ATOM 662 OE2 GLU A 42 18.759 7.492 6.836 1.00 0.00 O ATOM 0 H GLU A 42 14.676 9.229 8.574 1.00 0.00 H new ATOM 0 HA GLU A 42 16.430 8.299 7.720 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.010 7.654 10.028 1.00 0.00 H new ATOM 0 HB3 GLU A 42 16.152 6.140 9.823 1.00 0.00 H new ATOM 0 HG2 GLU A 42 18.504 5.772 9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 42 17.676 5.518 7.997 1.00 0.00 H new ATOM 669 N GLY A 43 14.676 5.543 7.587 1.00 0.00 N ATOM 670 CA GLY A 43 14.208 4.558 6.679 1.00 0.00 C ATOM 671 C GLY A 43 14.313 3.194 7.271 1.00 0.00 C ATOM 672 O GLY A 43 15.404 2.712 7.548 1.00 0.00 O ATOM 0 H GLY A 43 14.424 5.380 8.562 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.171 4.765 6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.787 4.604 5.757 1.00 0.00 H new ATOM 676 N LYS A 44 13.178 2.570 7.483 1.00 0.00 N ATOM 677 CA LYS A 44 13.128 1.230 8.069 1.00 0.00 C ATOM 678 C LYS A 44 13.356 0.154 7.017 1.00 0.00 C ATOM 679 O LYS A 44 13.453 -1.028 7.328 1.00 0.00 O ATOM 680 CB LYS A 44 11.804 0.986 8.839 1.00 0.00 C ATOM 681 CG LYS A 44 11.740 1.604 10.249 1.00 0.00 C ATOM 682 CD LYS A 44 11.845 3.126 10.260 1.00 0.00 C ATOM 683 CE LYS A 44 11.915 3.653 11.689 1.00 0.00 C ATOM 684 NZ LYS A 44 12.049 5.129 11.745 1.00 0.00 N ATOM 0 H LYS A 44 12.264 2.964 7.260 1.00 0.00 H new ATOM 0 HA LYS A 44 13.941 1.168 8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.980 1.385 8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.645 -0.089 8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.803 1.310 10.722 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.546 1.189 10.854 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.732 3.438 9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.984 3.558 9.750 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.016 3.352 12.228 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.762 3.195 12.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.143 5.432 12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.893 5.421 11.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.205 5.570 11.327 1.00 0.00 H new ATOM 698 N ILE A 45 13.465 0.581 5.795 1.00 0.00 N ATOM 699 CA ILE A 45 13.679 -0.294 4.679 1.00 0.00 C ATOM 700 C ILE A 45 15.173 -0.354 4.360 1.00 0.00 C ATOM 701 O ILE A 45 15.838 0.685 4.364 1.00 0.00 O ATOM 702 CB ILE A 45 12.902 0.227 3.436 1.00 0.00 C ATOM 703 CG1 ILE A 45 11.385 0.198 3.689 1.00 0.00 C ATOM 704 CG2 ILE A 45 13.258 -0.553 2.175 1.00 0.00 C ATOM 705 CD1 ILE A 45 10.837 -1.181 3.932 1.00 0.00 C ATOM 0 H ILE A 45 13.407 1.567 5.539 1.00 0.00 H new ATOM 0 HA ILE A 45 13.317 -1.291 4.932 1.00 0.00 H new ATOM 0 HB ILE A 45 13.205 1.261 3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.158 0.826 4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.874 0.636 2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.693 -0.157 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.325 -0.455 1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.010 -1.605 2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.762 -1.121 4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.032 -1.808 3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.319 -1.615 4.808 1.00 0.00 H new ATOM 717 N PRO A 46 15.727 -1.571 4.134 1.00 0.00 N ATOM 718 CA PRO A 46 17.121 -1.737 3.720 1.00 0.00 C ATOM 719 C PRO A 46 17.406 -0.975 2.417 1.00 0.00 C ATOM 720 O PRO A 46 16.633 -1.087 1.440 1.00 0.00 O ATOM 721 CB PRO A 46 17.275 -3.249 3.508 1.00 0.00 C ATOM 722 CG PRO A 46 15.890 -3.808 3.517 1.00 0.00 C ATOM 723 CD PRO A 46 15.049 -2.864 4.310 1.00 0.00 C ATOM 0 HA PRO A 46 17.820 -1.343 4.458 1.00 0.00 H new ATOM 0 HB2 PRO A 46 17.776 -3.462 2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 46 17.881 -3.694 4.297 1.00 0.00 H new ATOM 0 HG2 PRO A 46 15.507 -3.907 2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.878 -4.803 3.961 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.024 -2.833 3.942 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.002 -3.153 5.360 1.00 0.00 H new ATOM 731 N TRP A 47 18.543 -0.269 2.419 1.00 0.00 N ATOM 732 CA TRP A 47 19.011 0.693 1.388 1.00 0.00 C ATOM 733 C TRP A 47 18.634 0.355 -0.071 1.00 0.00 C ATOM 734 O TRP A 47 18.237 1.248 -0.827 1.00 0.00 O ATOM 735 CB TRP A 47 20.546 0.913 1.514 1.00 0.00 C ATOM 736 CG TRP A 47 21.412 -0.265 1.100 1.00 0.00 C ATOM 737 CD1 TRP A 47 22.140 -0.358 -0.051 1.00 0.00 C ATOM 738 CD2 TRP A 47 21.634 -1.502 1.809 1.00 0.00 C ATOM 739 NE1 TRP A 47 22.795 -1.556 -0.106 1.00 0.00 N ATOM 740 CE2 TRP A 47 22.508 -2.279 1.019 1.00 0.00 C ATOM 741 CE3 TRP A 47 21.188 -2.027 3.026 1.00 0.00 C ATOM 742 CZ2 TRP A 47 22.936 -3.546 1.406 1.00 0.00 C ATOM 743 CZ3 TRP A 47 21.614 -3.283 3.407 1.00 0.00 C ATOM 744 CH2 TRP A 47 22.482 -4.028 2.603 1.00 0.00 C ATOM 0 H TRP A 47 19.211 -0.353 3.186 1.00 0.00 H new ATOM 0 HA TRP A 47 18.468 1.613 1.604 1.00 0.00 H new ATOM 0 HB2 TRP A 47 20.823 1.776 0.908 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.776 1.164 2.550 1.00 0.00 H new ATOM 0 HD1 TRP A 47 22.191 0.407 -0.811 1.00 0.00 H new ATOM 0 HE1 TRP A 47 23.402 -1.863 -0.866 1.00 0.00 H new ATOM 0 HE3 TRP A 47 20.521 -1.459 3.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 23.602 -4.127 0.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 21.271 -3.698 4.343 1.00 0.00 H new ATOM 0 HH2 TRP A 47 22.801 -5.005 2.934 1.00 0.00 H new ATOM 755 N GLY A 48 18.738 -0.902 -0.454 1.00 0.00 N ATOM 756 CA GLY A 48 18.451 -1.256 -1.812 1.00 0.00 C ATOM 757 C GLY A 48 18.033 -2.689 -1.962 1.00 0.00 C ATOM 758 O GLY A 48 18.476 -3.377 -2.860 1.00 0.00 O ATOM 0 H GLY A 48 19.015 -1.676 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.660 -0.610 -2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.334 -1.073 -2.425 1.00 0.00 H new ATOM 762 N SER A 49 17.205 -3.167 -1.067 1.00 0.00 N ATOM 763 CA SER A 49 16.698 -4.532 -1.196 1.00 0.00 C ATOM 764 C SER A 49 15.535 -4.522 -2.172 1.00 0.00 C ATOM 765 O SER A 49 15.374 -5.407 -3.016 1.00 0.00 O ATOM 766 CB SER A 49 16.235 -5.067 0.166 1.00 0.00 C ATOM 767 OG SER A 49 15.769 -6.402 0.073 1.00 0.00 O ATOM 0 H SER A 49 16.867 -2.653 -0.253 1.00 0.00 H new ATOM 0 HA SER A 49 17.491 -5.183 -1.562 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.061 -5.018 0.876 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.441 -4.431 0.556 1.00 0.00 H new ATOM 0 HG SER A 49 15.484 -6.711 0.958 1.00 0.00 H new ATOM 773 N MET A 50 14.807 -3.437 -2.122 1.00 0.00 N ATOM 774 CA MET A 50 13.583 -3.263 -2.870 1.00 0.00 C ATOM 775 C MET A 50 13.801 -2.822 -4.317 1.00 0.00 C ATOM 776 O MET A 50 12.861 -2.437 -5.000 1.00 0.00 O ATOM 777 CB MET A 50 12.600 -2.341 -2.121 1.00 0.00 C ATOM 778 CG MET A 50 13.244 -1.256 -1.259 1.00 0.00 C ATOM 779 SD MET A 50 14.485 -0.278 -2.129 1.00 0.00 S ATOM 780 CE MET A 50 15.008 0.851 -0.836 1.00 0.00 C ATOM 0 H MET A 50 15.052 -2.630 -1.548 1.00 0.00 H new ATOM 0 HA MET A 50 13.129 -4.251 -2.943 1.00 0.00 H new ATOM 0 HB2 MET A 50 11.950 -1.861 -2.852 1.00 0.00 H new ATOM 0 HB3 MET A 50 11.964 -2.957 -1.485 1.00 0.00 H new ATOM 0 HG2 MET A 50 12.465 -0.590 -0.887 1.00 0.00 H new ATOM 0 HG3 MET A 50 13.707 -1.723 -0.389 1.00 0.00 H new ATOM 0 HE1 MET A 50 15.357 1.781 -1.284 1.00 0.00 H new ATOM 0 HE2 MET A 50 14.168 1.060 -0.174 1.00 0.00 H new ATOM 0 HE3 MET A 50 15.818 0.399 -0.263 1.00 0.00 H new ATOM 790 N GLU A 51 15.026 -2.923 -4.789 1.00 0.00 N ATOM 791 CA GLU A 51 15.323 -2.616 -6.178 1.00 0.00 C ATOM 792 C GLU A 51 14.827 -3.741 -7.066 1.00 0.00 C ATOM 793 O GLU A 51 14.210 -3.518 -8.104 1.00 0.00 O ATOM 794 CB GLU A 51 16.808 -2.450 -6.393 1.00 0.00 C ATOM 795 CG GLU A 51 17.432 -1.275 -5.681 1.00 0.00 C ATOM 796 CD GLU A 51 18.839 -1.038 -6.151 1.00 0.00 C ATOM 797 OE1 GLU A 51 19.016 -0.323 -7.174 1.00 0.00 O ATOM 798 OE2 GLU A 51 19.787 -1.579 -5.545 1.00 0.00 O ATOM 0 H GLU A 51 15.832 -3.214 -4.236 1.00 0.00 H new ATOM 0 HA GLU A 51 14.822 -1.682 -6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.310 -3.361 -6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.995 -2.348 -7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.833 -0.381 -5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.431 -1.456 -4.606 1.00 0.00 H new ATOM 805 N LYS A 52 15.098 -4.952 -6.623 1.00 0.00 N ATOM 806 CA LYS A 52 14.692 -6.162 -7.331 1.00 0.00 C ATOM 807 C LYS A 52 13.226 -6.458 -7.060 1.00 0.00 C ATOM 808 O LYS A 52 12.565 -7.164 -7.824 1.00 0.00 O ATOM 809 CB LYS A 52 15.532 -7.357 -6.846 1.00 0.00 C ATOM 810 CG LYS A 52 15.418 -7.616 -5.336 1.00 0.00 C ATOM 811 CD LYS A 52 16.115 -8.896 -4.908 1.00 0.00 C ATOM 812 CE LYS A 52 16.002 -9.120 -3.398 1.00 0.00 C ATOM 813 NZ LYS A 52 14.599 -9.119 -2.920 1.00 0.00 N ATOM 0 H LYS A 52 15.608 -5.132 -5.758 1.00 0.00 H new ATOM 0 HA LYS A 52 14.845 -6.007 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.220 -8.252 -7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.578 -7.182 -7.098 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.848 -6.774 -4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.365 -7.670 -5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.678 -9.743 -5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.166 -8.851 -5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.468 -10.071 -3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.559 -8.341 -2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.543 -9.611 -2.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.272 -8.138 -2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.996 -9.607 -3.613 1.00 0.00 H new ATOM 827 N ALA A 53 12.732 -5.863 -5.996 1.00 0.00 N ATOM 828 CA ALA A 53 11.422 -6.145 -5.479 1.00 0.00 C ATOM 829 C ALA A 53 10.313 -5.710 -6.409 1.00 0.00 C ATOM 830 O ALA A 53 10.322 -4.602 -6.965 1.00 0.00 O ATOM 831 CB ALA A 53 11.248 -5.515 -4.116 1.00 0.00 C ATOM 0 H ALA A 53 13.242 -5.160 -5.462 1.00 0.00 H new ATOM 0 HA ALA A 53 11.346 -7.229 -5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.250 -5.737 -3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.994 -5.918 -3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.374 -4.435 -4.196 1.00 0.00 H new ATOM 837 N GLY A 54 9.382 -6.593 -6.587 1.00 0.00 N ATOM 838 CA GLY A 54 8.214 -6.317 -7.348 1.00 0.00 C ATOM 839 C GLY A 54 7.028 -6.374 -6.429 1.00 0.00 C ATOM 840 O GLY A 54 7.223 -6.322 -5.221 1.00 0.00 O ATOM 0 H GLY A 54 9.416 -7.537 -6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.287 -5.334 -7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.105 -7.043 -8.154 1.00 0.00 H new ATOM 844 N PRO A 55 5.803 -6.544 -6.939 1.00 0.00 N ATOM 845 CA PRO A 55 4.575 -6.526 -6.120 1.00 0.00 C ATOM 846 C PRO A 55 4.616 -7.481 -4.931 1.00 0.00 C ATOM 847 O PRO A 55 4.256 -7.107 -3.812 1.00 0.00 O ATOM 848 CB PRO A 55 3.474 -6.954 -7.089 1.00 0.00 C ATOM 849 CG PRO A 55 4.174 -7.463 -8.307 1.00 0.00 C ATOM 850 CD PRO A 55 5.497 -6.773 -8.353 1.00 0.00 C ATOM 0 HA PRO A 55 4.427 -5.540 -5.680 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.845 -7.728 -6.648 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.823 -6.115 -7.335 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.302 -8.544 -8.258 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.594 -7.251 -9.205 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.256 -7.389 -8.835 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.444 -5.838 -8.910 1.00 0.00 H new ATOM 858 N LEU A 56 5.109 -8.679 -5.163 1.00 0.00 N ATOM 859 CA LEU A 56 5.146 -9.695 -4.124 1.00 0.00 C ATOM 860 C LEU A 56 6.181 -9.357 -3.075 1.00 0.00 C ATOM 861 O LEU A 56 5.872 -9.328 -1.878 1.00 0.00 O ATOM 862 CB LEU A 56 5.370 -11.127 -4.674 1.00 0.00 C ATOM 863 CG LEU A 56 4.233 -11.772 -5.506 1.00 0.00 C ATOM 864 CD1 LEU A 56 4.027 -11.080 -6.849 1.00 0.00 C ATOM 865 CD2 LEU A 56 4.503 -13.253 -5.704 1.00 0.00 C ATOM 0 H LEU A 56 5.491 -8.977 -6.061 1.00 0.00 H new ATOM 0 HA LEU A 56 4.159 -9.693 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.268 -11.111 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.577 -11.781 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 56 3.309 -11.647 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.219 -11.571 -7.391 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.769 -10.034 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.945 -11.139 -7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.697 -13.695 -6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.448 -13.383 -6.231 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.558 -13.746 -4.733 1.00 0.00 H new ATOM 877 N GLU A 57 7.390 -9.054 -3.519 1.00 0.00 N ATOM 878 CA GLU A 57 8.478 -8.730 -2.607 1.00 0.00 C ATOM 879 C GLU A 57 8.224 -7.426 -1.868 1.00 0.00 C ATOM 880 O GLU A 57 8.593 -7.297 -0.705 1.00 0.00 O ATOM 881 CB GLU A 57 9.815 -8.690 -3.318 1.00 0.00 C ATOM 882 CG GLU A 57 10.229 -10.009 -3.924 1.00 0.00 C ATOM 883 CD GLU A 57 11.614 -9.959 -4.497 1.00 0.00 C ATOM 884 OE1 GLU A 57 11.786 -9.437 -5.602 1.00 0.00 O ATOM 885 OE2 GLU A 57 12.550 -10.460 -3.847 1.00 0.00 O ATOM 0 H GLU A 57 7.644 -9.025 -4.506 1.00 0.00 H new ATOM 0 HA GLU A 57 8.516 -9.531 -1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.774 -7.937 -4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.581 -8.370 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.180 -10.788 -3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.523 -10.284 -4.708 1.00 0.00 H new ATOM 892 N MET A 58 7.585 -6.472 -2.538 1.00 0.00 N ATOM 893 CA MET A 58 7.202 -5.206 -1.914 1.00 0.00 C ATOM 894 C MET A 58 6.205 -5.454 -0.824 1.00 0.00 C ATOM 895 O MET A 58 6.344 -4.943 0.264 1.00 0.00 O ATOM 896 CB MET A 58 6.626 -4.220 -2.930 1.00 0.00 C ATOM 897 CG MET A 58 7.662 -3.585 -3.841 1.00 0.00 C ATOM 898 SD MET A 58 8.724 -2.401 -3.003 1.00 0.00 S ATOM 899 CE MET A 58 9.640 -1.770 -4.403 1.00 0.00 C ATOM 0 H MET A 58 7.319 -6.551 -3.520 1.00 0.00 H new ATOM 0 HA MET A 58 8.104 -4.760 -1.494 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.888 -4.738 -3.543 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.098 -3.431 -2.394 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.280 -4.370 -4.278 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.152 -3.085 -4.665 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.364 -1.030 -4.061 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.164 -2.590 -4.895 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.952 -1.304 -5.108 1.00 0.00 H new ATOM 909 N ALA A 59 5.222 -6.283 -1.096 1.00 0.00 N ATOM 910 CA ALA A 59 4.222 -6.612 -0.099 1.00 0.00 C ATOM 911 C ALA A 59 4.880 -7.235 1.137 1.00 0.00 C ATOM 912 O ALA A 59 4.542 -6.908 2.274 1.00 0.00 O ATOM 913 CB ALA A 59 3.178 -7.541 -0.684 1.00 0.00 C ATOM 0 H ALA A 59 5.092 -6.742 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 59 3.724 -5.693 0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.435 -7.778 0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.690 -7.054 -1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.657 -8.460 -1.022 1.00 0.00 H new ATOM 919 N GLN A 60 5.858 -8.084 0.898 1.00 0.00 N ATOM 920 CA GLN A 60 6.588 -8.729 1.972 1.00 0.00 C ATOM 921 C GLN A 60 7.466 -7.722 2.702 1.00 0.00 C ATOM 922 O GLN A 60 7.640 -7.802 3.910 1.00 0.00 O ATOM 923 CB GLN A 60 7.444 -9.848 1.424 1.00 0.00 C ATOM 924 CG GLN A 60 6.656 -10.905 0.691 1.00 0.00 C ATOM 925 CD GLN A 60 7.529 -12.002 0.115 1.00 0.00 C ATOM 926 OE1 GLN A 60 8.617 -12.305 0.774 1.00 0.00 O flip ATOM 927 NE2 GLN A 60 7.201 -12.590 -0.918 1.00 0.00 N flip ATOM 0 H GLN A 60 6.168 -8.346 -0.038 1.00 0.00 H new ATOM 0 HA GLN A 60 5.866 -9.142 2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.189 -9.427 0.748 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.987 -10.315 2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.930 -11.347 1.373 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.092 -10.436 -0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.345 -12.326 -1.405 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.786 -13.341 -1.285 1.00 0.00 H new ATOM 936 N LEU A 61 7.993 -6.781 1.954 1.00 0.00 N ATOM 937 CA LEU A 61 8.851 -5.722 2.463 1.00 0.00 C ATOM 938 C LEU A 61 8.103 -4.943 3.546 1.00 0.00 C ATOM 939 O LEU A 61 8.523 -4.897 4.712 1.00 0.00 O ATOM 940 CB LEU A 61 9.189 -4.776 1.310 1.00 0.00 C ATOM 941 CG LEU A 61 10.237 -3.718 1.562 1.00 0.00 C ATOM 942 CD1 LEU A 61 11.631 -4.325 1.542 1.00 0.00 C ATOM 943 CD2 LEU A 61 10.100 -2.593 0.552 1.00 0.00 C ATOM 0 H LEU A 61 7.836 -6.724 0.948 1.00 0.00 H new ATOM 0 HA LEU A 61 9.762 -6.147 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.517 -5.380 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.270 -4.274 1.006 1.00 0.00 H new ATOM 0 HG LEU A 61 10.081 -3.297 2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.370 -3.545 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.707 -5.087 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.816 -4.779 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.861 -1.837 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.229 -2.990 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.111 -2.143 0.640 1.00 0.00 H new ATOM 955 N LEU A 62 6.958 -4.390 3.166 1.00 0.00 N ATOM 956 CA LEU A 62 6.145 -3.603 4.070 1.00 0.00 C ATOM 957 C LEU A 62 5.633 -4.447 5.239 1.00 0.00 C ATOM 958 O LEU A 62 5.653 -4.001 6.388 1.00 0.00 O ATOM 959 CB LEU A 62 4.948 -2.914 3.355 1.00 0.00 C ATOM 960 CG LEU A 62 5.223 -1.748 2.373 1.00 0.00 C ATOM 961 CD1 LEU A 62 5.942 -0.628 3.036 1.00 0.00 C ATOM 962 CD2 LEU A 62 5.968 -2.196 1.166 1.00 0.00 C ATOM 0 H LEU A 62 6.572 -4.477 2.226 1.00 0.00 H new ATOM 0 HA LEU A 62 6.798 -2.819 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.406 -3.684 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.275 -2.541 4.127 1.00 0.00 H new ATOM 0 HG LEU A 62 4.248 -1.385 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.116 0.170 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.340 -0.247 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.898 -0.985 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.138 -1.345 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.926 -2.619 1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.386 -2.953 0.639 1.00 0.00 H new ATOM 974 N ILE A 63 5.211 -5.673 4.950 1.00 0.00 N ATOM 975 CA ILE A 63 4.634 -6.549 5.977 1.00 0.00 C ATOM 976 C ILE A 63 5.693 -6.943 7.046 1.00 0.00 C ATOM 977 O ILE A 63 5.375 -7.120 8.221 1.00 0.00 O ATOM 978 CB ILE A 63 3.949 -7.817 5.317 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.640 -8.202 6.033 1.00 0.00 C ATOM 980 CG2 ILE A 63 4.885 -9.030 5.241 1.00 0.00 C ATOM 981 CD1 ILE A 63 2.785 -8.706 7.454 1.00 0.00 C ATOM 0 H ILE A 63 5.255 -6.086 4.019 1.00 0.00 H new ATOM 0 HA ILE A 63 3.854 -5.994 6.498 1.00 0.00 H new ATOM 0 HB ILE A 63 3.712 -7.521 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.984 -7.331 6.042 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.140 -8.971 5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.360 -9.867 4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.760 -8.777 4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.201 -9.309 6.246 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.801 -8.946 7.857 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.408 -9.600 7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.250 -7.935 8.068 1.00 0.00 H new ATOM 993 N THR A 64 6.942 -7.023 6.643 1.00 0.00 N ATOM 994 CA THR A 64 7.988 -7.408 7.554 1.00 0.00 C ATOM 995 C THR A 64 8.402 -6.246 8.470 1.00 0.00 C ATOM 996 O THR A 64 8.603 -6.427 9.679 1.00 0.00 O ATOM 997 CB THR A 64 9.216 -7.945 6.782 1.00 0.00 C ATOM 998 OG1 THR A 64 8.799 -9.029 5.940 1.00 0.00 O ATOM 999 CG2 THR A 64 10.283 -8.450 7.740 1.00 0.00 C ATOM 0 H THR A 64 7.254 -6.826 5.692 1.00 0.00 H new ATOM 0 HA THR A 64 7.592 -8.204 8.184 1.00 0.00 H new ATOM 0 HB THR A 64 9.636 -7.133 6.188 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.525 -8.678 5.067 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.136 -8.822 7.172 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.606 -7.635 8.387 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.873 -9.256 8.349 1.00 0.00 H new ATOM 1007 N HIS A 65 8.492 -5.063 7.915 1.00 0.00 N ATOM 1008 CA HIS A 65 8.985 -3.929 8.679 1.00 0.00 C ATOM 1009 C HIS A 65 7.878 -3.194 9.424 1.00 0.00 C ATOM 1010 O HIS A 65 8.044 -2.823 10.582 1.00 0.00 O ATOM 1011 CB HIS A 65 9.809 -2.979 7.791 1.00 0.00 C ATOM 1012 CG HIS A 65 11.038 -3.634 7.206 1.00 0.00 C ATOM 1013 ND1 HIS A 65 11.234 -4.215 5.994 1.00 0.00 N flip ATOM 1014 CD2 HIS A 65 12.221 -3.780 7.884 1.00 0.00 C flip ATOM 1015 CE1 HIS A 65 12.529 -4.718 5.931 1.00 0.00 C flip ATOM 1016 NE2 HIS A 65 13.078 -4.428 7.097 1.00 0.00 N flip ATOM 0 H HIS A 65 8.236 -4.855 6.950 1.00 0.00 H new ATOM 0 HA HIS A 65 9.649 -4.328 9.446 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.180 -2.611 6.981 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.111 -2.112 8.379 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.541 -4.273 5.248 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.423 -3.429 8.885 1.00 0.00 H new ATOM 0 HE1 HIS A 65 12.989 -5.237 5.103 1.00 0.00 H new ATOM 1024 N PHE A 66 6.772 -2.974 8.769 1.00 0.00 N ATOM 1025 CA PHE A 66 5.652 -2.273 9.373 1.00 0.00 C ATOM 1026 C PHE A 66 4.719 -3.209 10.133 1.00 0.00 C ATOM 1027 O PHE A 66 4.608 -3.124 11.356 1.00 0.00 O ATOM 1028 CB PHE A 66 4.904 -1.487 8.296 1.00 0.00 C ATOM 1029 CG PHE A 66 5.806 -0.527 7.612 1.00 0.00 C ATOM 1030 CD1 PHE A 66 6.529 -0.932 6.521 1.00 0.00 C ATOM 1031 CD2 PHE A 66 5.970 0.756 8.083 1.00 0.00 C ATOM 1032 CE1 PHE A 66 7.405 -0.097 5.906 1.00 0.00 C ATOM 1033 CE2 PHE A 66 6.845 1.611 7.457 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.566 1.172 6.367 1.00 0.00 C ATOM 0 H PHE A 66 6.613 -3.270 7.806 1.00 0.00 H new ATOM 0 HA PHE A 66 6.046 -1.578 10.115 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.481 -2.177 7.566 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.070 -0.949 8.747 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.399 -1.935 6.143 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.411 1.091 8.944 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.972 -0.440 5.053 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.967 2.622 7.817 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.261 1.838 5.878 1.00 0.00 H new ATOM 1044 N GLY A 67 4.073 -4.086 9.422 1.00 0.00 N ATOM 1045 CA GLY A 67 3.122 -4.993 10.020 1.00 0.00 C ATOM 1046 C GLY A 67 2.023 -5.257 9.043 1.00 0.00 C ATOM 1047 O GLY A 67 1.990 -4.603 8.034 1.00 0.00 O ATOM 0 H GLY A 67 4.186 -4.197 8.414 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.613 -5.926 10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.717 -4.564 10.936 1.00 0.00 H new ATOM 1051 N PRO A 68 1.100 -6.174 9.316 1.00 0.00 N ATOM 1052 CA PRO A 68 0.033 -6.534 8.365 1.00 0.00 C ATOM 1053 C PRO A 68 -0.884 -5.359 8.005 1.00 0.00 C ATOM 1054 O PRO A 68 -1.045 -5.020 6.831 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.754 -7.636 9.083 1.00 0.00 C ATOM 1056 CG PRO A 68 -0.364 -7.537 10.520 1.00 0.00 C ATOM 1057 CD PRO A 68 1.017 -6.943 10.564 1.00 0.00 C ATOM 0 HA PRO A 68 0.454 -6.851 7.411 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.828 -7.496 8.958 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.511 -8.618 8.678 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.069 -6.913 11.068 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.376 -8.520 10.991 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.152 -6.306 11.438 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.785 -7.715 10.611 1.00 0.00 H new ATOM 1065 N GLU A 69 -1.434 -4.714 9.010 1.00 0.00 N ATOM 1066 CA GLU A 69 -2.358 -3.624 8.780 1.00 0.00 C ATOM 1067 C GLU A 69 -1.581 -2.380 8.397 1.00 0.00 C ATOM 1068 O GLU A 69 -2.016 -1.580 7.562 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.198 -3.355 10.030 1.00 0.00 C ATOM 1070 CG GLU A 69 -3.982 -4.560 10.532 1.00 0.00 C ATOM 1071 CD GLU A 69 -4.865 -4.209 11.701 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -6.034 -3.820 11.476 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.407 -4.274 12.860 1.00 0.00 O ATOM 0 H GLU A 69 -1.258 -4.924 9.993 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.033 -3.897 7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.541 -3.007 10.827 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.896 -2.546 9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.593 -4.958 9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.288 -5.348 10.825 1.00 0.00 H new ATOM 1080 N GLU A 70 -0.407 -2.250 8.984 1.00 0.00 N ATOM 1081 CA GLU A 70 0.437 -1.105 8.769 1.00 0.00 C ATOM 1082 C GLU A 70 0.953 -1.083 7.317 1.00 0.00 C ATOM 1083 O GLU A 70 0.944 -0.049 6.673 1.00 0.00 O ATOM 1084 CB GLU A 70 1.592 -1.113 9.765 1.00 0.00 C ATOM 1085 CG GLU A 70 2.194 0.260 10.017 1.00 0.00 C ATOM 1086 CD GLU A 70 1.195 1.196 10.664 1.00 0.00 C ATOM 1087 OE1 GLU A 70 1.080 1.199 11.913 1.00 0.00 O ATOM 1088 OE2 GLU A 70 0.476 1.916 9.954 1.00 0.00 O ATOM 0 H GLU A 70 -0.016 -2.941 9.624 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.146 -0.198 8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.241 -1.525 10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.372 -1.780 9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.070 0.162 10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.536 0.687 9.074 1.00 0.00 H new ATOM 1095 N ALA A 71 1.374 -2.245 6.820 1.00 0.00 N ATOM 1096 CA ALA A 71 1.848 -2.417 5.433 1.00 0.00 C ATOM 1097 C ALA A 71 0.795 -2.000 4.438 1.00 0.00 C ATOM 1098 O ALA A 71 1.065 -1.213 3.525 1.00 0.00 O ATOM 1099 CB ALA A 71 2.195 -3.864 5.180 1.00 0.00 C ATOM 0 H ALA A 71 1.399 -3.105 7.367 1.00 0.00 H new ATOM 0 HA ALA A 71 2.728 -1.787 5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.544 -3.981 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.981 -4.175 5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.311 -4.483 5.335 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.401 -2.527 4.618 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.514 -2.220 3.750 1.00 0.00 C ATOM 1107 C TRP A 72 -1.828 -0.727 3.781 1.00 0.00 C ATOM 1108 O TRP A 72 -2.022 -0.088 2.728 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.733 -3.086 4.119 1.00 0.00 C ATOM 1110 CG TRP A 72 -3.998 -2.721 3.399 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -5.220 -2.539 3.963 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -4.164 -2.456 1.993 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -6.131 -2.196 3.006 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.506 -2.134 1.791 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.302 -2.464 0.894 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -6.015 -1.819 0.541 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.808 -2.151 -0.351 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -5.154 -1.833 -0.515 1.00 0.00 C ATOM 0 H TRP A 72 -0.625 -3.179 5.370 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.243 -2.463 2.722 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.498 -4.129 3.908 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.906 -3.009 5.192 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.439 -2.649 5.015 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -7.121 -2.015 3.171 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.258 -2.711 1.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -7.058 -1.571 0.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.152 -2.153 -1.209 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.523 -1.592 -1.501 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.813 -0.173 4.967 1.00 0.00 N ATOM 1130 CA ARG A 73 -2.059 1.232 5.162 1.00 0.00 C ATOM 1131 C ARG A 73 -0.981 2.061 4.452 1.00 0.00 C ATOM 1132 O ARG A 73 -1.295 3.011 3.736 1.00 0.00 O ATOM 1133 CB ARG A 73 -2.097 1.536 6.650 1.00 0.00 C ATOM 1134 CG ARG A 73 -2.316 2.987 7.020 1.00 0.00 C ATOM 1135 CD ARG A 73 -2.305 3.144 8.529 1.00 0.00 C ATOM 1136 NE ARG A 73 -3.385 2.375 9.164 1.00 0.00 N ATOM 1137 CZ ARG A 73 -3.239 1.486 10.157 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -2.027 1.140 10.593 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -4.318 0.922 10.688 1.00 0.00 N ATOM 0 H ARG A 73 -1.629 -0.687 5.828 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.023 1.499 4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.890 0.941 7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.158 1.205 7.093 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.536 3.606 6.576 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.267 3.334 6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.344 2.814 8.922 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.409 4.198 8.786 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.331 2.532 8.818 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.196 1.553 10.170 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.931 0.462 11.349 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.245 1.167 10.340 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.220 0.244 11.444 1.00 0.00 H new ATOM 1153 N LEU A 74 0.275 1.663 4.634 1.00 0.00 N ATOM 1154 CA LEU A 74 1.426 2.305 3.993 1.00 0.00 C ATOM 1155 C LEU A 74 1.281 2.317 2.487 1.00 0.00 C ATOM 1156 O LEU A 74 1.573 3.315 1.852 1.00 0.00 O ATOM 1157 CB LEU A 74 2.747 1.605 4.390 1.00 0.00 C ATOM 1158 CG LEU A 74 3.626 2.276 5.474 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.283 3.545 4.938 1.00 0.00 C ATOM 1160 CD2 LEU A 74 2.824 2.589 6.731 1.00 0.00 C ATOM 0 H LEU A 74 0.528 0.879 5.235 1.00 0.00 H new ATOM 0 HA LEU A 74 1.458 3.336 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.503 0.600 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.352 1.496 3.490 1.00 0.00 H new ATOM 0 HG LEU A 74 4.408 1.565 5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.894 3.996 5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.912 3.296 4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.512 4.251 4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.474 3.059 7.469 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.007 3.267 6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.416 1.665 7.142 1.00 0.00 H new ATOM 1172 N ALA A 75 0.796 1.226 1.923 1.00 0.00 N ATOM 1173 CA ALA A 75 0.648 1.140 0.488 1.00 0.00 C ATOM 1174 C ALA A 75 -0.447 2.047 -0.002 1.00 0.00 C ATOM 1175 O ALA A 75 -0.190 2.945 -0.806 1.00 0.00 O ATOM 1176 CB ALA A 75 0.396 -0.270 0.038 1.00 0.00 C ATOM 0 H ALA A 75 0.501 0.395 2.435 1.00 0.00 H new ATOM 0 HA ALA A 75 1.591 1.469 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.290 -0.292 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.233 -0.902 0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.519 -0.641 0.499 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.654 1.867 0.522 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.787 2.631 0.039 1.00 0.00 C ATOM 1184 C LEU A 76 -2.589 4.124 0.277 1.00 0.00 C ATOM 1185 O LEU A 76 -2.831 4.930 -0.607 1.00 0.00 O ATOM 1186 CB LEU A 76 -4.148 2.087 0.588 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.478 2.265 2.085 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -5.033 3.648 2.375 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -5.450 1.216 2.549 1.00 0.00 C ATOM 0 H LEU A 76 -1.867 1.208 1.270 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.841 2.497 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.946 2.562 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.189 1.020 0.367 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.544 2.150 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.253 3.736 3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.298 4.402 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.947 3.801 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.666 1.363 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.373 1.296 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.016 0.227 2.402 1.00 0.00 H new ATOM 1201 N SER A 77 -2.027 4.475 1.420 1.00 0.00 N ATOM 1202 CA SER A 77 -1.869 5.861 1.764 1.00 0.00 C ATOM 1203 C SER A 77 -0.665 6.481 1.027 1.00 0.00 C ATOM 1204 O SER A 77 -0.434 7.676 1.099 1.00 0.00 O ATOM 1205 CB SER A 77 -1.766 6.032 3.279 1.00 0.00 C ATOM 1206 OG SER A 77 -2.119 7.355 3.682 1.00 0.00 O ATOM 0 H SER A 77 -1.677 3.817 2.117 1.00 0.00 H new ATOM 0 HA SER A 77 -2.756 6.402 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.421 5.314 3.772 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.749 5.811 3.603 1.00 0.00 H new ATOM 0 HG SER A 77 -2.866 7.676 3.134 1.00 0.00 H new ATOM 1212 N THR A 78 0.083 5.668 0.323 1.00 0.00 N ATOM 1213 CA THR A 78 1.126 6.168 -0.526 1.00 0.00 C ATOM 1214 C THR A 78 0.585 6.286 -1.961 1.00 0.00 C ATOM 1215 O THR A 78 1.029 7.146 -2.744 1.00 0.00 O ATOM 1216 CB THR A 78 2.396 5.284 -0.448 1.00 0.00 C ATOM 1217 OG1 THR A 78 2.914 5.334 0.891 1.00 0.00 O ATOM 1218 CG2 THR A 78 3.470 5.746 -1.419 1.00 0.00 C ATOM 0 H THR A 78 -0.015 4.653 0.324 1.00 0.00 H new ATOM 0 HA THR A 78 1.430 7.157 -0.184 1.00 0.00 H new ATOM 0 HB THR A 78 2.119 4.266 -0.720 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.507 4.621 1.426 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.343 5.099 -1.331 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.084 5.699 -2.437 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.754 6.772 -1.186 1.00 0.00 H new ATOM 1226 N PHE A 79 -0.436 5.471 -2.278 1.00 0.00 N ATOM 1227 CA PHE A 79 -1.085 5.529 -3.583 1.00 0.00 C ATOM 1228 C PHE A 79 -1.652 6.948 -3.798 1.00 0.00 C ATOM 1229 O PHE A 79 -1.423 7.575 -4.815 1.00 0.00 O ATOM 1230 CB PHE A 79 -2.236 4.499 -3.713 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.857 3.044 -3.655 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -0.567 2.613 -3.915 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.821 2.098 -3.348 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -0.254 1.275 -3.862 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.511 0.760 -3.296 1.00 0.00 C ATOM 1236 CZ PHE A 79 -1.227 0.347 -3.553 1.00 0.00 C ATOM 0 H PHE A 79 -0.822 4.770 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.337 5.287 -4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.957 4.694 -2.919 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.747 4.679 -4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.199 3.333 -4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.833 2.417 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.756 0.950 -4.063 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.275 0.036 -3.054 1.00 0.00 H new ATOM 0 HZ PHE A 79 -0.979 -0.703 -3.513 1.00 0.00 H new ATOM 1246 N GLU A 80 -2.318 7.468 -2.773 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.922 8.831 -2.788 1.00 0.00 C ATOM 1248 C GLU A 80 -1.848 9.956 -2.891 1.00 0.00 C ATOM 1249 O GLU A 80 -2.180 11.138 -3.032 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.770 9.047 -1.508 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.995 8.695 -0.259 1.00 0.00 C ATOM 1252 CD GLU A 80 -3.657 9.021 1.089 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -3.648 10.197 1.494 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -4.115 8.099 1.797 1.00 0.00 O ATOM 0 H GLU A 80 -2.465 6.968 -1.896 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.553 8.892 -3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.092 10.087 -1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.672 8.437 -1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.783 7.626 -0.282 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.036 9.211 -0.299 1.00 0.00 H new ATOM 1261 N ARG A 81 -0.579 9.583 -2.819 1.00 0.00 N ATOM 1262 CA ARG A 81 0.516 10.548 -2.831 1.00 0.00 C ATOM 1263 C ARG A 81 1.210 10.567 -4.180 1.00 0.00 C ATOM 1264 O ARG A 81 1.381 11.614 -4.789 1.00 0.00 O ATOM 1265 CB ARG A 81 1.529 10.184 -1.750 1.00 0.00 C ATOM 1266 CG ARG A 81 0.894 9.981 -0.400 1.00 0.00 C ATOM 1267 CD ARG A 81 0.285 11.247 0.143 1.00 0.00 C ATOM 1268 NE ARG A 81 -0.686 10.974 1.203 1.00 0.00 N ATOM 1269 CZ ARG A 81 -0.712 11.523 2.412 1.00 0.00 C ATOM 1270 NH1 ARG A 81 0.295 12.281 2.839 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -1.753 11.297 3.188 1.00 0.00 N ATOM 0 H ARG A 81 -0.278 8.611 -2.751 1.00 0.00 H new ATOM 0 HA ARG A 81 0.102 11.538 -2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.052 9.273 -2.041 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.278 10.973 -1.679 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.124 9.213 -0.475 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.644 9.612 0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.074 11.892 0.530 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.203 11.791 -0.666 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.416 10.294 0.992 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.100 12.447 2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.262 12.696 3.770 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.518 10.710 2.856 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.793 11.709 4.120 1.00 0.00 H new ATOM 1285 N ILE A 82 1.537 9.388 -4.669 1.00 0.00 N ATOM 1286 CA ILE A 82 2.324 9.209 -5.905 1.00 0.00 C ATOM 1287 C ILE A 82 1.453 9.333 -7.177 1.00 0.00 C ATOM 1288 O ILE A 82 1.888 8.984 -8.287 1.00 0.00 O ATOM 1289 CB ILE A 82 3.019 7.819 -5.889 1.00 0.00 C ATOM 1290 CG1 ILE A 82 1.970 6.686 -5.849 1.00 0.00 C ATOM 1291 CG2 ILE A 82 3.958 7.723 -4.681 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.550 5.286 -5.884 1.00 0.00 C ATOM 0 H ILE A 82 1.268 8.509 -4.226 1.00 0.00 H new ATOM 0 HA ILE A 82 3.069 10.004 -5.934 1.00 0.00 H new ATOM 0 HB ILE A 82 3.603 7.707 -6.802 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.372 6.795 -4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.293 6.806 -6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.443 6.747 -4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.715 8.504 -4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.384 7.850 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.741 4.556 -5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.123 5.153 -6.801 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.203 5.141 -5.024 1.00 0.00 H new ATOM 1304 N ASN A 83 0.269 9.899 -6.992 1.00 0.00 N ATOM 1305 CA ASN A 83 -0.780 10.014 -8.004 1.00 0.00 C ATOM 1306 C ASN A 83 -1.231 8.641 -8.422 1.00 0.00 C ATOM 1307 O ASN A 83 -0.942 8.157 -9.510 1.00 0.00 O ATOM 1308 CB ASN A 83 -0.409 10.883 -9.226 1.00 0.00 C ATOM 1309 CG ASN A 83 -1.618 11.165 -10.129 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -2.324 12.147 -9.931 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -1.866 10.326 -11.105 1.00 0.00 N ATOM 0 H ASN A 83 -0.001 10.308 -6.098 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.603 10.551 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.013 11.827 -8.883 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.365 10.380 -9.805 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.663 10.483 -11.722 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.262 9.516 -11.247 1.00 0.00 H new ATOM 1318 N ARG A 84 -1.828 7.983 -7.499 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.338 6.671 -7.686 1.00 0.00 C ATOM 1320 C ARG A 84 -3.582 6.545 -6.817 1.00 0.00 C ATOM 1321 O ARG A 84 -3.902 5.488 -6.253 1.00 0.00 O ATOM 1322 CB ARG A 84 -1.234 5.636 -7.344 1.00 0.00 C ATOM 1323 CG ARG A 84 -1.625 4.180 -7.540 1.00 0.00 C ATOM 1324 CD ARG A 84 -2.276 3.968 -8.889 1.00 0.00 C ATOM 1325 NE ARG A 84 -1.393 4.328 -9.997 1.00 0.00 N ATOM 1326 CZ ARG A 84 -1.697 4.273 -11.297 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -2.914 3.893 -11.721 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -0.773 4.613 -12.166 1.00 0.00 N ATOM 0 H ARG A 84 -1.982 8.352 -6.561 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.622 6.476 -8.720 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.359 5.846 -7.959 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.935 5.778 -6.305 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.741 3.548 -7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.311 3.875 -6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.570 2.923 -8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.188 4.562 -8.947 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.457 4.652 -9.755 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.633 3.637 -11.044 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.119 3.860 -12.720 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.148 4.909 -11.842 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.976 4.581 -13.165 1.00 0.00 H new ATOM 1342 N LYS A 85 -4.350 7.626 -6.818 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.594 7.727 -6.080 1.00 0.00 C ATOM 1344 C LYS A 85 -6.556 6.721 -6.698 1.00 0.00 C ATOM 1345 O LYS A 85 -7.441 6.183 -6.050 1.00 0.00 O ATOM 1346 CB LYS A 85 -6.116 9.156 -6.201 1.00 0.00 C ATOM 1347 CG LYS A 85 -7.434 9.452 -5.515 1.00 0.00 C ATOM 1348 CD LYS A 85 -7.901 10.874 -5.794 1.00 0.00 C ATOM 1349 CE LYS A 85 -8.237 11.095 -7.269 1.00 0.00 C ATOM 1350 NZ LYS A 85 -9.432 10.329 -7.707 1.00 0.00 N ATOM 0 H LYS A 85 -4.119 8.470 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.471 7.507 -5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.361 9.831 -5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.221 9.393 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.190 8.746 -5.857 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.326 9.308 -4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.780 11.091 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.123 11.575 -5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.408 12.157 -7.443 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.382 10.806 -7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.220 9.833 -8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.687 9.635 -6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.227 10.982 -7.857 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.268 6.438 -7.953 1.00 0.00 N ATOM 1365 CA ASP A 86 -6.896 5.428 -8.767 1.00 0.00 C ATOM 1366 C ASP A 86 -6.992 4.065 -8.046 1.00 0.00 C ATOM 1367 O ASP A 86 -8.045 3.427 -8.049 1.00 0.00 O ATOM 1368 CB ASP A 86 -6.093 5.303 -10.068 1.00 0.00 C ATOM 1369 CG ASP A 86 -6.324 4.026 -10.825 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -7.402 3.855 -11.437 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -5.400 3.182 -10.853 1.00 0.00 O ATOM 0 H ASP A 86 -5.541 6.943 -8.460 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.922 5.729 -8.977 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.342 6.144 -10.715 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.032 5.384 -9.834 1.00 0.00 H new ATOM 1376 N LEU A 87 -5.904 3.636 -7.409 1.00 0.00 N ATOM 1377 CA LEU A 87 -5.910 2.362 -6.683 1.00 0.00 C ATOM 1378 C LEU A 87 -6.151 2.591 -5.206 1.00 0.00 C ATOM 1379 O LEU A 87 -6.503 1.674 -4.469 1.00 0.00 O ATOM 1380 CB LEU A 87 -4.621 1.571 -6.885 1.00 0.00 C ATOM 1381 CG LEU A 87 -4.331 1.085 -8.303 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -2.989 0.386 -8.337 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -5.427 0.143 -8.788 1.00 0.00 C ATOM 0 H LEU A 87 -5.018 4.141 -7.379 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.726 1.768 -7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.786 2.192 -6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.647 0.703 -6.226 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.306 1.947 -8.969 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.784 0.040 -9.350 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.209 1.081 -8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.006 -0.467 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.199 -0.190 -9.800 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.484 -0.721 -8.126 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.384 0.666 -8.785 1.00 0.00 H new ATOM 1395 N TRP A 88 -5.963 3.808 -4.783 1.00 0.00 N ATOM 1396 CA TRP A 88 -6.223 4.203 -3.420 1.00 0.00 C ATOM 1397 C TRP A 88 -7.705 4.061 -3.127 1.00 0.00 C ATOM 1398 O TRP A 88 -8.086 3.435 -2.158 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.760 5.627 -3.230 1.00 0.00 C ATOM 1400 CG TRP A 88 -6.093 6.228 -1.901 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.576 5.898 -0.702 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -7.022 7.281 -1.655 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -6.107 6.690 0.275 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -6.996 7.551 -0.285 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -7.854 8.022 -2.466 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -7.781 8.536 0.296 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -8.636 8.999 -1.901 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -8.591 9.251 -0.534 1.00 0.00 C ATOM 0 H TRP A 88 -5.622 4.564 -5.376 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.679 3.563 -2.725 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.679 5.663 -3.368 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.202 6.244 -4.012 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.846 5.119 -0.537 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.874 6.643 1.267 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.890 7.837 -3.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.751 8.728 1.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.296 9.581 -2.528 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -9.213 10.032 -0.121 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.531 4.580 -4.025 1.00 0.00 N ATOM 1420 CA GLU A 89 -9.990 4.496 -3.905 1.00 0.00 C ATOM 1421 C GLU A 89 -10.476 3.045 -4.038 1.00 0.00 C ATOM 1422 O GLU A 89 -11.594 2.708 -3.662 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.642 5.394 -4.944 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.312 6.867 -4.741 1.00 0.00 C ATOM 1425 CD GLU A 89 -10.871 7.765 -5.808 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -10.217 7.948 -6.849 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -11.982 8.308 -5.634 1.00 0.00 O ATOM 0 H GLU A 89 -8.214 5.073 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.281 4.841 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.317 5.087 -5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.723 5.260 -4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.697 7.186 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.229 6.986 -4.709 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.616 2.211 -4.580 1.00 0.00 N ATOM 1435 CA ARG A 90 -9.856 0.778 -4.682 1.00 0.00 C ATOM 1436 C ARG A 90 -9.686 0.124 -3.317 1.00 0.00 C ATOM 1437 O ARG A 90 -10.426 -0.785 -2.956 1.00 0.00 O ATOM 1438 CB ARG A 90 -8.896 0.132 -5.686 1.00 0.00 C ATOM 1439 CG ARG A 90 -9.152 0.482 -7.141 1.00 0.00 C ATOM 1440 CD ARG A 90 -10.476 -0.085 -7.604 1.00 0.00 C ATOM 1441 NE ARG A 90 -10.516 -1.539 -7.418 1.00 0.00 N ATOM 1442 CZ ARG A 90 -11.393 -2.197 -6.643 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -12.405 -1.542 -6.061 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -11.268 -3.499 -6.471 1.00 0.00 N ATOM 0 H ARG A 90 -8.720 2.506 -4.968 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.877 0.628 -5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.878 0.426 -5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.953 -0.951 -5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.152 1.565 -7.265 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.346 0.090 -7.761 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.290 0.379 -7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.631 0.156 -8.656 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.822 -2.095 -7.917 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.513 -0.538 -6.205 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.068 -2.047 -5.473 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.507 -4.003 -6.926 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.933 -4.002 -5.883 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.702 0.588 -2.567 1.00 0.00 N ATOM 1459 CA GLY A 91 -8.471 0.071 -1.237 1.00 0.00 C ATOM 1460 C GLY A 91 -9.399 0.713 -0.240 1.00 0.00 C ATOM 1461 O GLY A 91 -9.904 0.056 0.688 1.00 0.00 O ATOM 0 H GLY A 91 -8.054 1.320 -2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.617 -1.009 -1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.436 0.254 -0.946 1.00 0.00 H new ATOM 1465 N GLN A 92 -9.642 1.987 -0.452 1.00 0.00 N ATOM 1466 CA GLN A 92 -10.484 2.796 0.394 1.00 0.00 C ATOM 1467 C GLN A 92 -11.945 2.533 0.174 1.00 0.00 C ATOM 1468 O GLN A 92 -12.630 3.252 -0.555 1.00 0.00 O ATOM 1469 CB GLN A 92 -10.185 4.279 0.215 1.00 0.00 C ATOM 1470 CG GLN A 92 -8.840 4.714 0.740 1.00 0.00 C ATOM 1471 CD GLN A 92 -8.788 4.715 2.241 1.00 0.00 C ATOM 1472 OE1 GLN A 92 -8.438 3.725 2.870 1.00 0.00 O ATOM 1473 NE2 GLN A 92 -9.152 5.819 2.821 1.00 0.00 N ATOM 0 H GLN A 92 -9.248 2.501 -1.240 1.00 0.00 H new ATOM 0 HA GLN A 92 -10.251 2.510 1.420 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.243 4.523 -0.846 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -10.961 4.856 0.718 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.068 4.049 0.352 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.614 5.714 0.370 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.437 6.621 2.258 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.153 5.884 3.839 1.00 0.00 H new ATOM 1482 N ARG A 93 -12.391 1.476 0.741 1.00 0.00 N ATOM 1483 CA ARG A 93 -13.771 1.170 0.780 1.00 0.00 C ATOM 1484 C ARG A 93 -14.289 1.607 2.126 1.00 0.00 C ATOM 1485 O ARG A 93 -14.087 0.945 3.149 1.00 0.00 O ATOM 1486 CB ARG A 93 -14.035 -0.321 0.440 1.00 0.00 C ATOM 1487 CG ARG A 93 -15.423 -0.851 0.798 1.00 0.00 C ATOM 1488 CD ARG A 93 -15.373 -1.578 2.130 1.00 0.00 C ATOM 1489 NE ARG A 93 -16.687 -2.020 2.609 1.00 0.00 N ATOM 1490 CZ ARG A 93 -16.993 -2.196 3.899 1.00 0.00 C ATOM 1491 NH1 ARG A 93 -16.047 -2.070 4.826 1.00 0.00 N ATOM 1492 NH2 ARG A 93 -18.228 -2.547 4.259 1.00 0.00 N ATOM 0 H ARG A 93 -11.797 0.786 1.200 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.321 1.711 0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -13.877 -0.463 -0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.291 -0.928 0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -16.134 -0.026 0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -15.776 -1.526 0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -14.719 -2.445 2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -14.926 -0.921 2.876 1.00 0.00 H new ATOM 0 HE ARG A 93 -17.412 -2.204 1.916 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -15.092 -1.840 4.552 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -16.277 -2.204 5.811 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -18.947 -2.683 3.548 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -18.454 -2.679 5.245 1.00 0.00 H new ATOM 1506 N GLU A 94 -14.842 2.776 2.145 1.00 0.00 N ATOM 1507 CA GLU A 94 -15.342 3.337 3.356 1.00 0.00 C ATOM 1508 C GLU A 94 -16.849 3.370 3.340 1.00 0.00 C ATOM 1509 O GLU A 94 -17.492 3.693 4.343 1.00 0.00 O ATOM 1510 CB GLU A 94 -14.746 4.710 3.606 1.00 0.00 C ATOM 1511 CG GLU A 94 -13.223 4.703 3.650 1.00 0.00 C ATOM 1512 CD GLU A 94 -12.647 6.011 4.099 1.00 0.00 C ATOM 1513 OE1 GLU A 94 -12.541 6.229 5.325 1.00 0.00 O ATOM 1514 OE2 GLU A 94 -12.284 6.848 3.257 1.00 0.00 O ATOM 0 H GLU A 94 -14.959 3.368 1.322 1.00 0.00 H new ATOM 0 HA GLU A 94 -15.036 2.701 4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -15.077 5.391 2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -15.129 5.099 4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.888 3.914 4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.837 4.463 2.659 1.00 0.00 H new ATOM 1521 N ASP A 95 -17.405 3.040 2.207 1.00 0.00 N ATOM 1522 CA ASP A 95 -18.837 2.909 2.082 1.00 0.00 C ATOM 1523 C ASP A 95 -19.178 1.430 2.187 1.00 0.00 C ATOM 1524 O ASP A 95 -18.275 0.595 2.322 1.00 0.00 O ATOM 1525 CB ASP A 95 -19.375 3.517 0.768 1.00 0.00 C ATOM 1526 CG ASP A 95 -18.993 2.757 -0.483 1.00 0.00 C ATOM 1527 OD1 ASP A 95 -17.899 2.996 -1.033 1.00 0.00 O ATOM 1528 OD2 ASP A 95 -19.815 1.940 -0.956 1.00 0.00 O ATOM 0 H ASP A 95 -16.886 2.855 1.348 1.00 0.00 H new ATOM 0 HA ASP A 95 -19.320 3.470 2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -20.462 3.570 0.827 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -19.010 4.540 0.681 1.00 0.00 H new ATOM 1533 N LEU A 96 -20.442 1.103 2.134 1.00 0.00 N ATOM 1534 CA LEU A 96 -20.886 -0.273 2.341 1.00 0.00 C ATOM 1535 C LEU A 96 -20.950 -1.083 1.045 1.00 0.00 C ATOM 1536 O LEU A 96 -21.036 -2.309 1.083 1.00 0.00 O ATOM 1537 CB LEU A 96 -22.264 -0.331 3.051 1.00 0.00 C ATOM 1538 CG LEU A 96 -23.510 0.096 2.239 1.00 0.00 C ATOM 1539 CD1 LEU A 96 -24.778 -0.246 2.993 1.00 0.00 C ATOM 1540 CD2 LEU A 96 -23.508 1.586 1.896 1.00 0.00 C ATOM 0 H LEU A 96 -21.195 1.766 1.949 1.00 0.00 H new ATOM 0 HA LEU A 96 -20.130 -0.726 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -22.422 -1.353 3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -22.210 0.299 3.939 1.00 0.00 H new ATOM 0 HG LEU A 96 -23.474 -0.459 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -25.644 0.062 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -24.820 -1.321 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -24.784 0.275 3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -24.405 1.829 1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -23.492 2.171 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -22.625 1.821 1.301 1.00 0.00 H new ATOM 1552 N VAL A 97 -20.864 -0.432 -0.083 1.00 0.00 N ATOM 1553 CA VAL A 97 -21.067 -1.116 -1.341 1.00 0.00 C ATOM 1554 C VAL A 97 -19.743 -1.319 -2.086 1.00 0.00 C ATOM 1555 O VAL A 97 -19.152 -2.415 -2.053 1.00 0.00 O ATOM 1556 CB VAL A 97 -22.094 -0.341 -2.240 1.00 0.00 C ATOM 1557 CG1 VAL A 97 -22.328 -1.025 -3.573 1.00 0.00 C ATOM 1558 CG2 VAL A 97 -23.413 -0.135 -1.517 1.00 0.00 C ATOM 0 H VAL A 97 -20.657 0.564 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 97 -21.480 -2.100 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 97 -21.650 0.633 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -23.046 -0.449 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -21.387 -1.091 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -22.720 -2.028 -3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -24.103 0.405 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -23.841 -1.103 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -23.243 0.442 -0.608 1.00 0.00 H new ATOM 1568 N ARG A 98 -19.279 -0.244 -2.683 1.00 0.00 N ATOM 1569 CA ARG A 98 -18.113 -0.144 -3.550 1.00 0.00 C ATOM 1570 C ARG A 98 -18.300 1.165 -4.267 1.00 0.00 C ATOM 1571 O ARG A 98 -19.212 1.914 -3.917 1.00 0.00 O ATOM 1572 CB ARG A 98 -18.030 -1.294 -4.624 1.00 0.00 C ATOM 1573 CG ARG A 98 -19.212 -1.370 -5.611 1.00 0.00 C ATOM 1574 CD ARG A 98 -18.961 -2.368 -6.732 1.00 0.00 C ATOM 1575 NE ARG A 98 -20.106 -2.460 -7.667 1.00 0.00 N ATOM 1576 CZ ARG A 98 -20.070 -3.047 -8.889 1.00 0.00 C ATOM 1577 NH1 ARG A 98 -18.920 -3.458 -9.401 1.00 0.00 N ATOM 1578 NH2 ARG A 98 -21.179 -3.168 -9.607 1.00 0.00 N ATOM 0 H ARG A 98 -19.740 0.659 -2.569 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.199 -0.219 -2.960 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -17.110 -1.167 -5.195 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -17.953 -2.248 -4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -20.116 -1.652 -5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -19.390 -0.383 -6.038 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -18.067 -2.076 -7.283 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -18.764 -3.351 -6.304 1.00 0.00 H new ATOM 0 HE ARG A 98 -20.991 -2.050 -7.368 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -18.055 -3.334 -8.876 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -18.900 -3.899 -10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -22.064 -2.819 -9.241 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -21.146 -3.610 -10.526 1.00 0.00 H new ATOM 1592 N ASP A 99 -17.490 1.444 -5.248 1.00 0.00 N ATOM 1593 CA ASP A 99 -17.677 2.619 -6.092 1.00 0.00 C ATOM 1594 C ASP A 99 -19.048 2.542 -6.765 1.00 0.00 C ATOM 1595 O ASP A 99 -19.270 1.687 -7.599 1.00 0.00 O ATOM 1596 CB ASP A 99 -16.589 2.649 -7.147 1.00 0.00 C ATOM 1597 CG ASP A 99 -16.741 3.790 -8.118 1.00 0.00 C ATOM 1598 OD1 ASP A 99 -16.821 4.949 -7.673 1.00 0.00 O ATOM 1599 OD2 ASP A 99 -16.789 3.544 -9.347 1.00 0.00 O ATOM 0 H ASP A 99 -16.681 0.874 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.622 3.525 -5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -15.618 2.723 -6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -16.598 1.708 -7.697 1.00 0.00 H new ATOM 1604 N THR A 100 -19.978 3.380 -6.347 1.00 0.00 N ATOM 1605 CA THR A 100 -21.334 3.323 -6.878 1.00 0.00 C ATOM 1606 C THR A 100 -21.706 4.662 -7.551 1.00 0.00 C ATOM 1607 O THR A 100 -22.882 4.970 -7.780 1.00 0.00 O ATOM 1608 CB THR A 100 -22.331 3.002 -5.732 1.00 0.00 C ATOM 1609 OG1 THR A 100 -21.745 2.003 -4.882 1.00 0.00 O ATOM 1610 CG2 THR A 100 -23.643 2.438 -6.283 1.00 0.00 C ATOM 0 H THR A 100 -19.825 4.105 -5.646 1.00 0.00 H new ATOM 0 HA THR A 100 -21.387 2.535 -7.629 1.00 0.00 H new ATOM 0 HB THR A 100 -22.538 3.923 -5.188 1.00 0.00 H new ATOM 0 HG1 THR A 100 -20.856 2.298 -4.595 1.00 0.00 H new ATOM 0 HG21 THR A 100 -24.322 2.223 -5.458 1.00 0.00 H new ATOM 0 HG22 THR A 100 -24.102 3.169 -6.949 1.00 0.00 H new ATOM 0 HG23 THR A 100 -23.441 1.520 -6.835 1.00 0.00 H new ATOM 1618 N VAL A 101 -20.710 5.452 -7.875 1.00 0.00 N ATOM 1619 CA VAL A 101 -20.976 6.705 -8.549 1.00 0.00 C ATOM 1620 C VAL A 101 -21.003 6.473 -10.055 1.00 0.00 C ATOM 1621 O VAL A 101 -20.413 5.498 -10.555 1.00 0.00 O ATOM 1622 CB VAL A 101 -19.966 7.833 -8.181 1.00 0.00 C ATOM 1623 CG1 VAL A 101 -20.022 8.140 -6.692 1.00 0.00 C ATOM 1624 CG2 VAL A 101 -18.555 7.471 -8.591 1.00 0.00 C ATOM 0 H VAL A 101 -19.726 5.258 -7.689 1.00 0.00 H new ATOM 0 HA VAL A 101 -21.949 7.056 -8.207 1.00 0.00 H new ATOM 0 HB VAL A 101 -20.256 8.726 -8.734 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -19.309 8.930 -6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -21.027 8.467 -6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -19.770 7.243 -6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -17.878 8.281 -8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -18.251 6.557 -8.081 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -18.518 7.314 -9.669 1.00 0.00 H new ATOM 1634 N GLU A 102 -21.693 7.315 -10.763 1.00 0.00 N ATOM 1635 CA GLU A 102 -21.808 7.177 -12.186 1.00 0.00 C ATOM 1636 C GLU A 102 -21.049 8.290 -12.874 1.00 0.00 C ATOM 1637 O GLU A 102 -19.863 8.091 -13.180 1.00 0.00 O ATOM 1638 CB GLU A 102 -23.280 7.142 -12.619 1.00 0.00 C ATOM 1639 CG GLU A 102 -24.061 5.974 -12.021 1.00 0.00 C ATOM 1640 CD GLU A 102 -25.485 5.908 -12.506 1.00 0.00 C ATOM 1641 OE1 GLU A 102 -26.381 6.541 -11.881 1.00 0.00 O ATOM 1642 OE2 GLU A 102 -25.747 5.223 -13.518 1.00 0.00 O ATOM 1643 OXT GLU A 102 -21.610 9.379 -13.082 1.00 0.00 O ATOM 0 H GLU A 102 -22.191 8.115 -10.374 1.00 0.00 H new ATOM 0 HA GLU A 102 -21.365 6.227 -12.486 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -23.759 8.077 -12.327 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -23.330 7.084 -13.706 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -23.555 5.041 -12.269 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -24.057 6.060 -10.934 1.00 0.00 H new TER 1650 GLU A 102