USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 733 hydrogens (16 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 NoAdj-H: B 216 TYS HN2 : B 216 TYS N : B 215 SER C :(H bumps) USER MOD NoAdj-H: B 216 TYS H : B 216 TYS N : B 215 SER C :(H bumps) USER MOD NoAdj-H: B 217 TYS HN2 : B 217 TYS N : B 216 TYS C :(H bumps) USER MOD NoAdj-H: B 217 TYS H : B 217 TYS N : B 216 TYS C :(H bumps) USER MOD Set 1.1: B 216 TYS O3 : rot 180:sc= 0 USER MOD Set 1.2: B 217 TYS O3 : rot 21:sc= 1.34 USER MOD Single : A 1 GLY N :NH3+ -134:sc= -0.235 (180deg=-1.49!) USER MOD Single : A 4 SER OG : rot 108:sc= -0.671 USER MOD Single : A 7 THR OG1 : rot -10:sc= 0.477 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00885 USER MOD Single : A 12 ASN : amide:sc= -2.14! C(o=-2.1!,f=-5.7!) USER MOD Single : A 15 ASN : amide:sc= -2! C(o=-2!,f=-8.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 25 SER OG : rot 180:sc= -0.74! USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 65:sc= 1.11 USER MOD Single : A 31 SER OG : rot -70:sc= 0.425 USER MOD Single : A 33 LYS NZ :NH3+ -107:sc= -3.55! (180deg=-6.17!) USER MOD Single : A 36 GLN : amide:sc= -7.12! C(o=-7.1!,f=-12!) USER MOD Single : A 37 LYS NZ :NH3+ 141:sc= 0 (180deg=-0.236) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 65:sc= -4.28! USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= -0.0792 (180deg=-0.507) USER MOD Single : A 47 LYS NZ :NH3+ -144:sc= -3.22 (180deg=-6.4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -109:sc= -3.15! (180deg=-7.68!) USER MOD Single : A 56 LYS NZ :NH3+ -114:sc= -4.41! (180deg=-7.03!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 61 SER OG : rot -153:sc= 0.302 USER MOD Single : A 62 MET CE :methyl -173:sc= -0.857 (180deg=-0.998) USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= -0.272 (180deg=-1.36!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.23 K(o=-1.2,f=-2!) USER MOD Single : A 68 LYS NZ :NH3+ -134:sc= -2.7! (180deg=-5.42!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.46 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 THR OG1 : rot 180:sc= 0 USER MOD Single : B 213 THR OG1 : rot 180:sc= -0.177 USER MOD Single : B 214 THR OG1 : rot -13:sc= 0.659 USER MOD Single : B 215 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.088 -15.377 -10.955 1.00 0.00 N ATOM 2 CA GLY A 1 -1.020 -14.604 -10.325 1.00 0.00 C ATOM 3 C GLY A 1 -0.886 -14.666 -8.807 1.00 0.00 C ATOM 4 O GLY A 1 -1.628 -15.386 -8.138 1.00 0.00 O ATOM 0 H1 GLY A 1 0.502 -14.821 -11.730 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.820 -15.578 -10.244 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.284 -16.272 -11.331 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.991 -13.567 -10.661 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.983 -15.012 -10.633 1.00 0.00 H new ATOM 10 N PRO A 2 0.041 -13.928 -8.259 1.00 0.00 N ATOM 11 CA PRO A 2 0.278 -13.896 -6.786 1.00 0.00 C ATOM 12 C PRO A 2 -1.018 -13.709 -5.998 1.00 0.00 C ATOM 13 O PRO A 2 -1.216 -14.330 -4.953 1.00 0.00 O ATOM 14 CB PRO A 2 1.225 -12.701 -6.602 1.00 0.00 C ATOM 15 CG PRO A 2 1.957 -12.591 -7.901 1.00 0.00 C ATOM 16 CD PRO A 2 0.970 -13.042 -8.982 1.00 0.00 C ATOM 0 HA PRO A 2 0.693 -14.832 -6.412 1.00 0.00 H new ATOM 0 HB2 PRO A 2 0.672 -11.788 -6.381 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.913 -12.865 -5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.287 -11.567 -8.077 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.849 -13.218 -7.901 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.450 -12.194 -9.428 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.476 -13.567 -9.792 1.00 0.00 H new ATOM 24 N ALA A 3 -1.895 -12.851 -6.506 1.00 0.00 N ATOM 25 CA ALA A 3 -3.167 -12.591 -5.842 1.00 0.00 C ATOM 26 C ALA A 3 -2.940 -12.172 -4.393 1.00 0.00 C ATOM 27 O ALA A 3 -1.801 -12.021 -3.952 1.00 0.00 O ATOM 28 CB ALA A 3 -4.043 -13.846 -5.884 1.00 0.00 C ATOM 0 H ALA A 3 -1.751 -12.327 -7.369 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.671 -11.779 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.992 -13.644 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.230 -14.125 -6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.532 -14.663 -5.375 1.00 0.00 H new ATOM 34 N SER A 4 -4.031 -11.984 -3.658 1.00 0.00 N ATOM 35 CA SER A 4 -3.941 -11.580 -2.258 1.00 0.00 C ATOM 36 C SER A 4 -3.621 -12.779 -1.372 1.00 0.00 C ATOM 37 O SER A 4 -4.049 -12.843 -0.220 1.00 0.00 O ATOM 38 CB SER A 4 -5.260 -10.951 -1.810 1.00 0.00 C ATOM 39 OG SER A 4 -5.210 -10.700 -0.412 1.00 0.00 O ATOM 0 H SER A 4 -4.983 -12.104 -4.005 1.00 0.00 H new ATOM 0 HA SER A 4 -3.139 -10.849 -2.163 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.435 -10.022 -2.352 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.091 -11.617 -2.042 1.00 0.00 H new ATOM 0 HG SER A 4 -5.131 -9.736 -0.255 1.00 0.00 H new ATOM 45 N VAL A 5 -2.866 -13.729 -1.916 1.00 0.00 N ATOM 46 CA VAL A 5 -2.494 -14.923 -1.165 1.00 0.00 C ATOM 47 C VAL A 5 -1.337 -14.653 -0.195 1.00 0.00 C ATOM 48 O VAL A 5 -1.269 -15.276 0.865 1.00 0.00 O ATOM 49 CB VAL A 5 -2.108 -16.051 -2.126 1.00 0.00 C ATOM 50 CG1 VAL A 5 -1.718 -17.294 -1.322 1.00 0.00 C ATOM 51 CG2 VAL A 5 -3.301 -16.383 -3.025 1.00 0.00 C ATOM 0 H VAL A 5 -2.502 -13.696 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.362 -15.221 -0.576 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.265 -15.734 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.443 -18.098 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.871 -17.060 -0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.562 -17.611 -0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.028 -17.186 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.143 -16.701 -2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.583 -15.499 -3.597 1.00 0.00 H new ATOM 61 N PRO A 6 -0.425 -13.758 -0.515 1.00 0.00 N ATOM 62 CA PRO A 6 0.727 -13.447 0.370 1.00 0.00 C ATOM 63 C PRO A 6 0.408 -12.327 1.360 1.00 0.00 C ATOM 64 O PRO A 6 -0.154 -11.298 0.987 1.00 0.00 O ATOM 65 CB PRO A 6 1.804 -13.022 -0.628 1.00 0.00 C ATOM 66 CG PRO A 6 1.052 -12.349 -1.743 1.00 0.00 C ATOM 67 CD PRO A 6 -0.375 -12.939 -1.742 1.00 0.00 C ATOM 0 HA PRO A 6 1.020 -14.287 1.000 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.522 -12.343 -0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.366 -13.882 -0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.024 -11.270 -1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.542 -12.525 -2.701 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.131 -12.154 -1.728 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.558 -13.542 -2.631 1.00 0.00 H new ATOM 75 N THR A 7 0.772 -12.538 2.621 1.00 0.00 N ATOM 76 CA THR A 7 0.521 -11.541 3.656 1.00 0.00 C ATOM 77 C THR A 7 -0.954 -11.152 3.679 1.00 0.00 C ATOM 78 O THR A 7 -1.734 -11.586 2.831 1.00 0.00 O ATOM 79 CB THR A 7 1.374 -10.297 3.399 1.00 0.00 C ATOM 80 OG1 THR A 7 0.821 -9.560 2.318 1.00 0.00 O ATOM 81 CG2 THR A 7 2.803 -10.717 3.055 1.00 0.00 C ATOM 0 H THR A 7 1.238 -13.384 2.949 1.00 0.00 H new ATOM 0 HA THR A 7 0.787 -11.972 4.621 1.00 0.00 H new ATOM 0 HB THR A 7 1.387 -9.675 4.294 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.122 -10.092 1.883 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.409 -9.830 2.872 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.227 -11.281 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.794 -11.340 2.161 1.00 0.00 H new ATOM 89 N THR A 8 -1.329 -10.333 4.656 1.00 0.00 N ATOM 90 CA THR A 8 -2.714 -9.892 4.781 1.00 0.00 C ATOM 91 C THR A 8 -3.110 -9.029 3.587 1.00 0.00 C ATOM 92 O THR A 8 -2.268 -8.368 2.980 1.00 0.00 O ATOM 93 CB THR A 8 -2.892 -9.092 6.074 1.00 0.00 C ATOM 94 OG1 THR A 8 -1.857 -8.125 6.176 1.00 0.00 O ATOM 95 CG2 THR A 8 -2.831 -10.037 7.273 1.00 0.00 C ATOM 0 H THR A 8 -0.699 -9.963 5.368 1.00 0.00 H new ATOM 0 HA THR A 8 -3.356 -10.772 4.808 1.00 0.00 H new ATOM 0 HB THR A 8 -3.859 -8.589 6.061 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.970 -7.611 7.002 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.958 -9.466 8.193 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.626 -10.778 7.193 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.865 -10.542 7.290 1.00 0.00 H new ATOM 103 N CYS A 9 -4.398 -9.041 3.256 1.00 0.00 N ATOM 104 CA CYS A 9 -4.895 -8.256 2.132 1.00 0.00 C ATOM 105 C CYS A 9 -5.043 -6.787 2.527 1.00 0.00 C ATOM 106 O CYS A 9 -6.152 -6.259 2.588 1.00 0.00 O ATOM 107 CB CYS A 9 -6.245 -8.814 1.665 1.00 0.00 C ATOM 108 SG CYS A 9 -6.524 -8.361 -0.067 1.00 0.00 S ATOM 0 H CYS A 9 -5.111 -9.581 3.746 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.177 -8.323 1.314 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -6.259 -9.898 1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -7.048 -8.420 2.288 1.00 0.00 H new ATOM 113 N CYS A 10 -3.916 -6.135 2.794 1.00 0.00 N ATOM 114 CA CYS A 10 -3.932 -4.729 3.181 1.00 0.00 C ATOM 115 C CYS A 10 -4.889 -4.516 4.358 1.00 0.00 C ATOM 116 O CYS A 10 -6.107 -4.518 4.187 1.00 0.00 O ATOM 117 CB CYS A 10 -4.354 -3.868 1.966 1.00 0.00 C ATOM 118 SG CYS A 10 -3.181 -2.506 1.720 1.00 0.00 S ATOM 0 H CYS A 10 -2.987 -6.554 2.750 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.934 -4.426 3.498 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.395 -4.487 1.070 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.356 -3.470 2.125 1.00 0.00 H new ATOM 123 N PHE A 11 -4.327 -4.334 5.551 1.00 0.00 N ATOM 124 CA PHE A 11 -5.141 -4.124 6.747 1.00 0.00 C ATOM 125 C PHE A 11 -6.291 -3.159 6.444 1.00 0.00 C ATOM 126 O PHE A 11 -7.451 -3.566 6.367 1.00 0.00 O ATOM 127 CB PHE A 11 -4.254 -3.572 7.887 1.00 0.00 C ATOM 128 CG PHE A 11 -4.701 -4.125 9.232 1.00 0.00 C ATOM 129 CD1 PHE A 11 -6.046 -4.041 9.615 1.00 0.00 C ATOM 130 CD2 PHE A 11 -3.766 -4.721 10.091 1.00 0.00 C ATOM 131 CE1 PHE A 11 -6.455 -4.551 10.853 1.00 0.00 C ATOM 132 CE2 PHE A 11 -4.177 -5.230 11.328 1.00 0.00 C ATOM 133 CZ PHE A 11 -5.521 -5.146 11.710 1.00 0.00 C ATOM 0 H PHE A 11 -3.320 -4.328 5.715 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.569 -5.076 7.062 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.213 -3.839 7.706 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.306 -2.483 7.900 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.768 -3.583 8.955 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.729 -4.787 9.798 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.492 -4.485 11.147 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.456 -5.688 11.989 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.837 -5.540 12.665 1.00 0.00 H new ATOM 143 N ASN A 12 -5.958 -1.885 6.263 1.00 0.00 N ATOM 144 CA ASN A 12 -6.968 -0.878 5.957 1.00 0.00 C ATOM 145 C ASN A 12 -6.315 0.477 5.709 1.00 0.00 C ATOM 146 O ASN A 12 -5.173 0.715 6.104 1.00 0.00 O ATOM 147 CB ASN A 12 -7.985 -0.772 7.108 1.00 0.00 C ATOM 148 CG ASN A 12 -7.304 -1.084 8.436 1.00 0.00 C ATOM 149 OD1 ASN A 12 -6.080 -1.003 8.541 1.00 0.00 O ATOM 150 ND2 ASN A 12 -8.028 -1.437 9.462 1.00 0.00 N ATOM 0 H ASN A 12 -5.005 -1.527 6.322 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.492 -1.183 5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -8.412 0.230 7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -8.809 -1.465 6.941 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -7.580 -1.647 10.354 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.042 -1.503 9.372 1.00 0.00 H new ATOM 157 N LEU A 13 -7.057 1.353 5.043 1.00 0.00 N ATOM 158 CA LEU A 13 -6.572 2.693 4.718 1.00 0.00 C ATOM 159 C LEU A 13 -5.733 3.262 5.865 1.00 0.00 C ATOM 160 O LEU A 13 -6.083 3.111 7.035 1.00 0.00 O ATOM 161 CB LEU A 13 -7.763 3.629 4.419 1.00 0.00 C ATOM 162 CG LEU A 13 -8.934 2.832 3.821 1.00 0.00 C ATOM 163 CD1 LEU A 13 -10.075 3.793 3.481 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.490 2.115 2.538 1.00 0.00 C ATOM 0 H LEU A 13 -8.003 1.160 4.715 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.940 2.623 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.083 4.125 5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.454 4.410 3.725 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.266 2.092 4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.908 3.233 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.404 4.302 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.727 4.530 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.329 1.555 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.151 2.851 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.674 1.430 2.768 1.00 0.00 H new ATOM 176 N ALA A 14 -4.626 3.913 5.518 1.00 0.00 N ATOM 177 CA ALA A 14 -3.749 4.495 6.526 1.00 0.00 C ATOM 178 C ALA A 14 -4.501 5.540 7.347 1.00 0.00 C ATOM 179 O ALA A 14 -5.621 5.300 7.791 1.00 0.00 O ATOM 180 CB ALA A 14 -2.531 5.137 5.855 1.00 0.00 C ATOM 0 H ALA A 14 -4.318 4.049 4.555 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.412 3.702 7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.882 5.569 6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.981 4.379 5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.862 5.920 5.173 1.00 0.00 H new ATOM 186 N ASN A 15 -3.880 6.697 7.546 1.00 0.00 N ATOM 187 CA ASN A 15 -4.515 7.758 8.315 1.00 0.00 C ATOM 188 C ASN A 15 -3.659 9.021 8.315 1.00 0.00 C ATOM 189 O ASN A 15 -3.962 9.984 9.020 1.00 0.00 O ATOM 190 CB ASN A 15 -4.741 7.294 9.755 1.00 0.00 C ATOM 191 CG ASN A 15 -3.466 6.662 10.305 1.00 0.00 C ATOM 192 OD1 ASN A 15 -2.800 5.898 9.606 1.00 0.00 O ATOM 193 ND2 ASN A 15 -3.085 6.937 11.522 1.00 0.00 N ATOM 0 H ASN A 15 -2.951 6.922 7.191 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.473 7.988 7.849 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.035 8.140 10.377 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.558 6.574 9.790 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.233 6.519 11.897 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.639 7.570 12.099 1.00 0.00 H new ATOM 200 N ARG A 16 -2.588 9.016 7.523 1.00 0.00 N ATOM 201 CA ARG A 16 -1.699 10.175 7.448 1.00 0.00 C ATOM 202 C ARG A 16 -1.000 10.237 6.092 1.00 0.00 C ATOM 203 O ARG A 16 -1.394 9.554 5.146 1.00 0.00 O ATOM 204 CB ARG A 16 -0.656 10.109 8.567 1.00 0.00 C ATOM 205 CG ARG A 16 -1.348 10.269 9.928 1.00 0.00 C ATOM 206 CD ARG A 16 -0.308 10.577 11.011 1.00 0.00 C ATOM 207 NE ARG A 16 -0.973 10.929 12.259 1.00 0.00 N ATOM 208 CZ ARG A 16 -1.623 12.081 12.392 1.00 0.00 C ATOM 209 NH1 ARG A 16 -1.672 12.920 11.394 1.00 0.00 N ATOM 210 NH2 ARG A 16 -2.211 12.373 13.519 1.00 0.00 N ATOM 0 H ARG A 16 -2.316 8.232 6.930 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.301 11.076 7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.125 9.158 8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.087 10.894 8.431 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.083 11.072 9.879 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.889 9.357 10.180 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.336 9.711 11.165 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.333 11.397 10.688 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.939 10.280 13.045 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.212 12.692 10.513 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.170 13.804 11.495 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.172 11.717 14.299 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.709 13.257 13.620 1.00 0.00 H new ATOM 224 N LYS A 17 0.031 11.080 6.000 1.00 0.00 N ATOM 225 CA LYS A 17 0.778 11.257 4.752 1.00 0.00 C ATOM 226 C LYS A 17 2.113 10.509 4.788 1.00 0.00 C ATOM 227 O LYS A 17 2.936 10.725 5.677 1.00 0.00 O ATOM 228 CB LYS A 17 1.029 12.754 4.526 1.00 0.00 C ATOM 229 CG LYS A 17 2.007 12.964 3.359 1.00 0.00 C ATOM 230 CD LYS A 17 1.864 14.391 2.820 1.00 0.00 C ATOM 231 CE LYS A 17 2.912 14.635 1.732 1.00 0.00 C ATOM 232 NZ LYS A 17 3.031 16.099 1.479 1.00 0.00 N ATOM 0 H LYS A 17 0.368 11.651 6.775 1.00 0.00 H new ATOM 0 HA LYS A 17 0.187 10.846 3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.087 13.259 4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.434 13.202 5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.030 12.791 3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.804 12.243 2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.863 14.539 2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.990 15.111 3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.875 14.229 2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.628 14.118 0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.743 16.267 0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.112 16.473 1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.321 16.580 2.354 1.00 0.00 H new ATOM 246 N ILE A 18 2.321 9.646 3.797 1.00 0.00 N ATOM 247 CA ILE A 18 3.561 8.881 3.695 1.00 0.00 C ATOM 248 C ILE A 18 4.656 9.796 3.112 1.00 0.00 C ATOM 249 O ILE A 18 4.392 10.515 2.148 1.00 0.00 O ATOM 250 CB ILE A 18 3.314 7.660 2.770 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.719 6.485 3.583 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.600 7.212 2.050 1.00 0.00 C ATOM 253 CD1 ILE A 18 3.816 5.664 4.278 1.00 0.00 C ATOM 0 H ILE A 18 1.648 9.459 3.054 1.00 0.00 H new ATOM 0 HA ILE A 18 3.883 8.524 4.673 1.00 0.00 H new ATOM 0 HB ILE A 18 2.601 7.968 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.026 6.873 4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.144 5.838 2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.381 6.355 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.979 8.031 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.352 6.933 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.360 4.848 4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.494 5.255 3.529 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.374 6.306 4.960 1.00 0.00 H new ATOM 265 N PRO A 19 5.865 9.804 3.644 1.00 0.00 N ATOM 266 CA PRO A 19 6.948 10.682 3.099 1.00 0.00 C ATOM 267 C PRO A 19 7.201 10.397 1.615 1.00 0.00 C ATOM 268 O PRO A 19 7.360 9.244 1.212 1.00 0.00 O ATOM 269 CB PRO A 19 8.176 10.352 3.973 1.00 0.00 C ATOM 270 CG PRO A 19 7.863 9.035 4.606 1.00 0.00 C ATOM 271 CD PRO A 19 6.353 9.012 4.792 1.00 0.00 C ATOM 0 HA PRO A 19 6.693 11.741 3.140 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.083 10.294 3.372 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.341 11.122 4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.192 8.210 3.974 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.376 8.929 5.562 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.960 7.995 4.777 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.057 9.455 5.743 1.00 0.00 H new ATOM 279 N LEU A 20 7.212 11.455 0.810 1.00 0.00 N ATOM 280 CA LEU A 20 7.418 11.315 -0.630 1.00 0.00 C ATOM 281 C LEU A 20 8.834 10.822 -0.951 1.00 0.00 C ATOM 282 O LEU A 20 9.068 10.238 -2.010 1.00 0.00 O ATOM 283 CB LEU A 20 7.155 12.667 -1.328 1.00 0.00 C ATOM 284 CG LEU A 20 5.676 12.778 -1.724 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.801 12.689 -0.474 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.429 14.117 -2.422 1.00 0.00 C ATOM 0 H LEU A 20 7.081 12.416 1.127 1.00 0.00 H new ATOM 0 HA LEU A 20 6.715 10.569 -1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.424 13.487 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.784 12.756 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 20 5.425 11.963 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.752 12.768 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.972 11.734 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.055 13.502 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.378 14.193 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.684 14.933 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.048 14.181 -3.317 1.00 0.00 H new ATOM 298 N GLN A 21 9.774 11.079 -0.051 1.00 0.00 N ATOM 299 CA GLN A 21 11.164 10.676 -0.270 1.00 0.00 C ATOM 300 C GLN A 21 11.329 9.152 -0.271 1.00 0.00 C ATOM 301 O GLN A 21 12.120 8.611 -1.044 1.00 0.00 O ATOM 302 CB GLN A 21 12.058 11.288 0.813 1.00 0.00 C ATOM 303 CG GLN A 21 11.404 11.111 2.184 1.00 0.00 C ATOM 304 CD GLN A 21 12.380 11.518 3.283 1.00 0.00 C ATOM 305 OE1 GLN A 21 12.667 10.729 4.182 1.00 0.00 O ATOM 306 NE2 GLN A 21 12.909 12.711 3.263 1.00 0.00 N ATOM 0 H GLN A 21 9.605 11.561 0.832 1.00 0.00 H new ATOM 0 HA GLN A 21 11.461 11.043 -1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.037 10.810 0.802 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.218 12.347 0.610 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.500 11.717 2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.102 10.073 2.321 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.669 13.363 2.516 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.563 12.991 3.994 1.00 0.00 H new ATOM 315 N ARG A 22 10.599 8.466 0.604 1.00 0.00 N ATOM 316 CA ARG A 22 10.697 7.005 0.702 1.00 0.00 C ATOM 317 C ARG A 22 9.735 6.319 -0.266 1.00 0.00 C ATOM 318 O ARG A 22 9.848 5.121 -0.528 1.00 0.00 O ATOM 319 CB ARG A 22 10.382 6.573 2.139 1.00 0.00 C ATOM 320 CG ARG A 22 11.478 7.098 3.105 1.00 0.00 C ATOM 321 CD ARG A 22 10.852 7.574 4.425 1.00 0.00 C ATOM 322 NE ARG A 22 11.847 7.549 5.490 1.00 0.00 N ATOM 323 CZ ARG A 22 11.491 7.672 6.765 1.00 0.00 C ATOM 324 NH1 ARG A 22 10.233 7.816 7.080 1.00 0.00 N ATOM 325 NH2 ARG A 22 12.400 7.647 7.702 1.00 0.00 N ATOM 0 H ARG A 22 9.936 8.891 1.253 1.00 0.00 H new ATOM 0 HA ARG A 22 11.711 6.707 0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.407 6.959 2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.326 5.486 2.196 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.203 6.309 3.304 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.020 7.919 2.636 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.460 8.584 4.307 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.010 6.934 4.689 1.00 0.00 H new ATOM 0 HE ARG A 22 12.833 7.435 5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.523 7.834 6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.960 7.910 8.058 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.383 7.533 7.456 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.127 7.741 8.680 1.00 0.00 H new ATOM 339 N LEU A 23 8.789 7.087 -0.784 1.00 0.00 N ATOM 340 CA LEU A 23 7.794 6.567 -1.719 1.00 0.00 C ATOM 341 C LEU A 23 8.434 6.284 -3.081 1.00 0.00 C ATOM 342 O LEU A 23 9.189 7.102 -3.606 1.00 0.00 O ATOM 343 CB LEU A 23 6.670 7.614 -1.822 1.00 0.00 C ATOM 344 CG LEU A 23 5.722 7.391 -3.020 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.404 7.772 -4.356 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.213 5.932 -3.055 1.00 0.00 C ATOM 0 H LEU A 23 8.686 8.080 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 23 7.384 5.620 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.087 7.600 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.115 8.606 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 23 4.862 8.047 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.710 7.603 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.690 8.824 -4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.293 7.158 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.547 5.799 -3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.061 5.253 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.672 5.713 -2.134 1.00 0.00 H new ATOM 358 N GLU A 24 8.121 5.115 -3.648 1.00 0.00 N ATOM 359 CA GLU A 24 8.654 4.713 -4.954 1.00 0.00 C ATOM 360 C GLU A 24 7.541 4.694 -6.009 1.00 0.00 C ATOM 361 O GLU A 24 7.629 5.386 -7.023 1.00 0.00 O ATOM 362 CB GLU A 24 9.285 3.321 -4.843 1.00 0.00 C ATOM 363 CG GLU A 24 9.660 2.803 -6.236 1.00 0.00 C ATOM 364 CD GLU A 24 10.636 1.637 -6.114 1.00 0.00 C ATOM 365 OE1 GLU A 24 10.184 0.538 -5.836 1.00 0.00 O ATOM 366 OE2 GLU A 24 11.820 1.859 -6.302 1.00 0.00 O ATOM 0 H GLU A 24 7.499 4.428 -3.222 1.00 0.00 H new ATOM 0 HA GLU A 24 9.410 5.435 -5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.172 3.364 -4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.587 2.633 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.764 2.484 -6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.110 3.604 -6.822 1.00 0.00 H new ATOM 373 N SER A 25 6.498 3.898 -5.767 1.00 0.00 N ATOM 374 CA SER A 25 5.380 3.802 -6.712 1.00 0.00 C ATOM 375 C SER A 25 4.104 3.350 -6.007 1.00 0.00 C ATOM 376 O SER A 25 4.122 3.041 -4.814 1.00 0.00 O ATOM 377 CB SER A 25 5.725 2.814 -7.829 1.00 0.00 C ATOM 378 OG SER A 25 4.522 2.335 -8.417 1.00 0.00 O ATOM 0 H SER A 25 6.402 3.316 -4.935 1.00 0.00 H new ATOM 0 HA SER A 25 5.209 4.791 -7.137 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.344 3.300 -8.583 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.305 1.982 -7.429 1.00 0.00 H new ATOM 0 HG SER A 25 4.738 1.703 -9.134 1.00 0.00 H new ATOM 384 N TYR A 26 2.990 3.316 -6.752 1.00 0.00 N ATOM 385 CA TYR A 26 1.697 2.899 -6.187 1.00 0.00 C ATOM 386 C TYR A 26 1.124 1.703 -6.949 1.00 0.00 C ATOM 387 O TYR A 26 1.575 1.375 -8.047 1.00 0.00 O ATOM 388 CB TYR A 26 0.694 4.062 -6.226 1.00 0.00 C ATOM 389 CG TYR A 26 0.244 4.322 -7.646 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.044 5.082 -8.507 1.00 0.00 C ATOM 391 CD2 TYR A 26 -0.976 3.804 -8.100 1.00 0.00 C ATOM 392 CE1 TYR A 26 0.628 5.327 -9.820 1.00 0.00 C ATOM 393 CE2 TYR A 26 -1.393 4.048 -9.414 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.592 4.810 -10.274 1.00 0.00 C ATOM 395 OH TYR A 26 -1.003 5.051 -11.569 1.00 0.00 O ATOM 0 H TYR A 26 2.957 3.570 -7.739 1.00 0.00 H new ATOM 0 HA TYR A 26 1.867 2.604 -5.151 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.168 3.828 -5.601 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.153 4.960 -5.813 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.985 5.480 -8.157 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.594 3.217 -7.437 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.247 5.914 -10.483 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.333 3.648 -9.765 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.870 4.621 -11.722 1.00 0.00 H new ATOM 405 N ARG A 27 0.121 1.061 -6.351 1.00 0.00 N ATOM 406 CA ARG A 27 -0.529 -0.096 -6.964 1.00 0.00 C ATOM 407 C ARG A 27 -1.964 -0.211 -6.458 1.00 0.00 C ATOM 408 O ARG A 27 -2.265 0.196 -5.339 1.00 0.00 O ATOM 409 CB ARG A 27 0.239 -1.378 -6.619 1.00 0.00 C ATOM 410 CG ARG A 27 -0.182 -2.524 -7.567 1.00 0.00 C ATOM 411 CD ARG A 27 -0.124 -3.866 -6.831 1.00 0.00 C ATOM 412 NE ARG A 27 1.190 -4.056 -6.227 1.00 0.00 N ATOM 413 CZ ARG A 27 1.492 -5.172 -5.574 1.00 0.00 C ATOM 414 NH1 ARG A 27 0.605 -6.124 -5.463 1.00 0.00 N ATOM 415 NH2 ARG A 27 2.674 -5.318 -5.041 1.00 0.00 N ATOM 0 H ARG A 27 -0.259 1.323 -5.442 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.535 0.037 -8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.311 -1.202 -6.703 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.043 -1.661 -5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.192 -2.347 -7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.476 -2.548 -8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.894 -3.899 -6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.333 -4.679 -7.526 1.00 0.00 H new ATOM 0 HE ARG A 27 1.890 -3.318 -6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.320 -6.010 -5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.837 -6.981 -4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.367 -4.574 -5.126 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.905 -6.176 -4.540 1.00 0.00 H new ATOM 429 N ARG A 28 -2.855 -0.757 -7.286 1.00 0.00 N ATOM 430 CA ARG A 28 -4.264 -0.901 -6.901 1.00 0.00 C ATOM 431 C ARG A 28 -4.587 -2.340 -6.499 1.00 0.00 C ATOM 432 O ARG A 28 -4.029 -3.292 -7.043 1.00 0.00 O ATOM 433 CB ARG A 28 -5.161 -0.470 -8.079 1.00 0.00 C ATOM 434 CG ARG A 28 -6.456 0.168 -7.557 1.00 0.00 C ATOM 435 CD ARG A 28 -7.472 0.266 -8.697 1.00 0.00 C ATOM 436 NE ARG A 28 -6.893 0.981 -9.829 1.00 0.00 N ATOM 437 CZ ARG A 28 -6.703 2.295 -9.787 1.00 0.00 C ATOM 438 NH1 ARG A 28 -7.036 2.969 -8.720 1.00 0.00 N ATOM 439 NH2 ARG A 28 -6.183 2.912 -10.813 1.00 0.00 N ATOM 0 H ARG A 28 -2.632 -1.104 -8.219 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.453 -0.263 -6.038 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.627 0.240 -8.711 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.398 -1.334 -8.700 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.865 -0.429 -6.742 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.249 1.159 -7.154 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.779 -0.733 -9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.368 0.782 -8.352 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.629 0.463 -10.667 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.442 2.487 -7.918 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.890 3.978 -8.688 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.923 2.385 -11.647 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.037 3.921 -10.781 1.00 0.00 H new ATOM 453 N ILE A 29 -5.510 -2.481 -5.544 1.00 0.00 N ATOM 454 CA ILE A 29 -5.936 -3.800 -5.062 1.00 0.00 C ATOM 455 C ILE A 29 -7.349 -4.094 -5.575 1.00 0.00 C ATOM 456 O ILE A 29 -8.303 -3.400 -5.222 1.00 0.00 O ATOM 457 CB ILE A 29 -5.906 -3.854 -3.503 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.709 -2.434 -2.945 1.00 0.00 C ATOM 459 CG2 ILE A 29 -4.761 -4.761 -3.026 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.830 -2.430 -1.416 1.00 0.00 C ATOM 0 H ILE A 29 -5.978 -1.698 -5.088 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.247 -4.556 -5.439 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.851 -4.261 -3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.730 -2.055 -3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.452 -1.763 -3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.750 -4.791 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.909 -5.768 -3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.811 -4.368 -3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.687 -1.416 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.819 -2.787 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.070 -3.084 -0.989 1.00 0.00 H new ATOM 472 N THR A 30 -7.472 -5.125 -6.407 1.00 0.00 N ATOM 473 CA THR A 30 -8.771 -5.504 -6.964 1.00 0.00 C ATOM 474 C THR A 30 -8.856 -7.017 -7.135 1.00 0.00 C ATOM 475 O THR A 30 -9.292 -7.511 -8.176 1.00 0.00 O ATOM 476 CB THR A 30 -8.971 -4.826 -8.324 1.00 0.00 C ATOM 477 OG1 THR A 30 -8.324 -5.592 -9.331 1.00 0.00 O ATOM 478 CG2 THR A 30 -8.374 -3.418 -8.289 1.00 0.00 C ATOM 0 H THR A 30 -6.694 -5.711 -6.710 1.00 0.00 H new ATOM 0 HA THR A 30 -9.552 -5.180 -6.275 1.00 0.00 H new ATOM 0 HB THR A 30 -10.036 -4.759 -8.544 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.762 -6.465 -9.409 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.517 -2.938 -9.257 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.870 -2.831 -7.516 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.308 -3.480 -8.069 1.00 0.00 H new ATOM 486 N SER A 31 -8.439 -7.748 -6.106 1.00 0.00 N ATOM 487 CA SER A 31 -8.472 -9.205 -6.154 1.00 0.00 C ATOM 488 C SER A 31 -8.089 -9.794 -4.799 1.00 0.00 C ATOM 489 O SER A 31 -6.967 -10.268 -4.614 1.00 0.00 O ATOM 490 CB SER A 31 -7.510 -9.715 -7.226 1.00 0.00 C ATOM 491 OG SER A 31 -7.361 -11.123 -7.092 1.00 0.00 O ATOM 0 H SER A 31 -8.077 -7.359 -5.235 1.00 0.00 H new ATOM 0 HA SER A 31 -9.486 -9.519 -6.400 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.890 -9.471 -8.218 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.542 -9.224 -7.126 1.00 0.00 H new ATOM 0 HG SER A 31 -6.850 -11.322 -6.280 1.00 0.00 H new ATOM 497 N GLY A 32 -9.026 -9.761 -3.858 1.00 0.00 N ATOM 498 CA GLY A 32 -8.775 -10.295 -2.525 1.00 0.00 C ATOM 499 C GLY A 32 -9.778 -9.743 -1.518 1.00 0.00 C ATOM 500 O GLY A 32 -10.682 -8.988 -1.878 1.00 0.00 O ATOM 0 H GLY A 32 -9.960 -9.373 -3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.838 -11.383 -2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.762 -10.041 -2.212 1.00 0.00 H new ATOM 504 N LYS A 33 -9.613 -10.124 -0.256 1.00 0.00 N ATOM 505 CA LYS A 33 -10.512 -9.660 0.796 1.00 0.00 C ATOM 506 C LYS A 33 -10.212 -8.209 1.154 1.00 0.00 C ATOM 507 O LYS A 33 -10.800 -7.654 2.082 1.00 0.00 O ATOM 508 CB LYS A 33 -10.357 -10.538 2.040 1.00 0.00 C ATOM 509 CG LYS A 33 -10.736 -11.982 1.700 1.00 0.00 C ATOM 510 CD LYS A 33 -10.956 -12.775 2.991 1.00 0.00 C ATOM 511 CE LYS A 33 -9.729 -12.643 3.899 1.00 0.00 C ATOM 512 NZ LYS A 33 -9.768 -11.327 4.597 1.00 0.00 N ATOM 0 H LYS A 33 -8.872 -10.748 0.062 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.536 -9.728 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.329 -10.496 2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.992 -10.164 2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.642 -11.997 1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.947 -12.445 1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.843 -12.407 3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.135 -13.824 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.714 -13.453 4.628 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.816 -12.727 3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.051 -10.695 4.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.710 -10.901 4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.570 -11.465 5.609 1.00 0.00 H new ATOM 526 N CYS A 34 -9.293 -7.599 0.413 1.00 0.00 N ATOM 527 CA CYS A 34 -8.922 -6.211 0.663 1.00 0.00 C ATOM 528 C CYS A 34 -10.173 -5.325 0.691 1.00 0.00 C ATOM 529 O CYS A 34 -11.169 -5.639 0.037 1.00 0.00 O ATOM 530 CB CYS A 34 -7.969 -5.728 -0.436 1.00 0.00 C ATOM 531 SG CYS A 34 -6.303 -6.354 -0.107 1.00 0.00 S ATOM 0 H CYS A 34 -8.795 -8.040 -0.360 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.423 -6.146 1.630 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.314 -6.075 -1.410 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.959 -4.639 -0.471 1.00 0.00 H new ATOM 536 N PRO A 35 -10.150 -4.233 1.422 1.00 0.00 N ATOM 537 CA PRO A 35 -11.319 -3.307 1.508 1.00 0.00 C ATOM 538 C PRO A 35 -11.488 -2.492 0.226 1.00 0.00 C ATOM 539 O PRO A 35 -10.613 -1.708 -0.135 1.00 0.00 O ATOM 540 CB PRO A 35 -10.972 -2.409 2.703 1.00 0.00 C ATOM 541 CG PRO A 35 -9.480 -2.375 2.726 1.00 0.00 C ATOM 542 CD PRO A 35 -9.021 -3.755 2.246 1.00 0.00 C ATOM 0 HA PRO A 35 -12.266 -3.833 1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.390 -1.409 2.583 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.374 -2.813 3.632 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.097 -1.588 2.076 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.109 -2.168 3.730 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.101 -3.691 1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.824 -4.425 3.083 1.00 0.00 H new ATOM 550 N GLN A 36 -12.622 -2.694 -0.450 1.00 0.00 N ATOM 551 CA GLN A 36 -12.931 -1.992 -1.702 1.00 0.00 C ATOM 552 C GLN A 36 -11.669 -1.735 -2.531 1.00 0.00 C ATOM 553 O GLN A 36 -10.649 -2.398 -2.350 1.00 0.00 O ATOM 554 CB GLN A 36 -13.668 -0.671 -1.414 1.00 0.00 C ATOM 555 CG GLN A 36 -12.827 0.243 -0.508 1.00 0.00 C ATOM 556 CD GLN A 36 -12.988 -0.164 0.954 1.00 0.00 C ATOM 557 OE1 GLN A 36 -13.557 -1.216 1.247 1.00 0.00 O ATOM 558 NE2 GLN A 36 -12.520 0.612 1.893 1.00 0.00 N ATOM 0 H GLN A 36 -13.348 -3.344 -0.149 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.585 -2.637 -2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.885 -0.160 -2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.625 -0.881 -0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -11.777 0.184 -0.795 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.136 1.280 -0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.049 1.483 1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.625 0.348 2.873 1.00 0.00 H new ATOM 567 N LYS A 37 -11.753 -0.776 -3.454 1.00 0.00 N ATOM 568 CA LYS A 37 -10.617 -0.441 -4.312 1.00 0.00 C ATOM 569 C LYS A 37 -9.798 0.684 -3.684 1.00 0.00 C ATOM 570 O LYS A 37 -10.355 1.653 -3.171 1.00 0.00 O ATOM 571 CB LYS A 37 -11.121 -0.007 -5.693 1.00 0.00 C ATOM 572 CG LYS A 37 -12.291 -0.899 -6.113 1.00 0.00 C ATOM 573 CD LYS A 37 -11.870 -2.368 -6.039 1.00 0.00 C ATOM 574 CE LYS A 37 -12.901 -3.233 -6.765 1.00 0.00 C ATOM 575 NZ LYS A 37 -12.455 -4.655 -6.751 1.00 0.00 N ATOM 0 H LYS A 37 -12.591 -0.221 -3.626 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.984 -1.321 -4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.437 1.036 -5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.316 -0.077 -6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.147 -0.723 -5.462 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.605 -0.651 -7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.887 -2.499 -6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.786 -2.681 -4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.874 -3.141 -6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.022 -2.889 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.277 -5.275 -6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.006 -4.887 -7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.770 -4.797 -5.981 1.00 0.00 H new ATOM 589 N ALA A 38 -8.476 0.548 -3.721 1.00 0.00 N ATOM 590 CA ALA A 38 -7.607 1.568 -3.142 1.00 0.00 C ATOM 591 C ALA A 38 -6.174 1.414 -3.652 1.00 0.00 C ATOM 592 O ALA A 38 -5.720 0.310 -3.935 1.00 0.00 O ATOM 593 CB ALA A 38 -7.638 1.453 -1.610 1.00 0.00 C ATOM 0 H ALA A 38 -7.989 -0.245 -4.139 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.969 2.551 -3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.990 2.214 -1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.658 1.599 -1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.288 0.465 -1.312 1.00 0.00 H new ATOM 599 N VAL A 39 -5.459 2.532 -3.760 1.00 0.00 N ATOM 600 CA VAL A 39 -4.077 2.490 -4.224 1.00 0.00 C ATOM 601 C VAL A 39 -3.161 2.086 -3.073 1.00 0.00 C ATOM 602 O VAL A 39 -3.529 2.217 -1.906 1.00 0.00 O ATOM 603 CB VAL A 39 -3.665 3.851 -4.790 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.728 4.328 -5.784 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.528 4.869 -3.657 1.00 0.00 C ATOM 0 H VAL A 39 -5.808 3.464 -3.536 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.989 1.750 -5.020 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.705 3.754 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.438 5.297 -6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.816 3.607 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.687 4.420 -5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.235 5.835 -4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.483 4.970 -3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.769 4.529 -2.952 1.00 0.00 H new ATOM 615 N ILE A 40 -1.978 1.568 -3.403 1.00 0.00 N ATOM 616 CA ILE A 40 -1.028 1.114 -2.383 1.00 0.00 C ATOM 617 C ILE A 40 0.355 1.715 -2.605 1.00 0.00 C ATOM 618 O ILE A 40 1.104 1.249 -3.459 1.00 0.00 O ATOM 619 CB ILE A 40 -0.919 -0.417 -2.443 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.249 -1.040 -2.006 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.209 -0.906 -1.523 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.231 -2.540 -2.298 1.00 0.00 C ATOM 0 H ILE A 40 -1.654 1.452 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.394 1.438 -1.409 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.693 -0.718 -3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.411 -0.868 -0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.076 -0.566 -2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.276 -1.993 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.155 -0.469 -1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.002 -0.604 -0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.177 -2.983 -1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.089 -2.701 -3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.414 -3.008 -1.749 1.00 0.00 H new ATOM 634 N PHE A 41 0.707 2.720 -1.806 1.00 0.00 N ATOM 635 CA PHE A 41 2.025 3.332 -1.922 1.00 0.00 C ATOM 636 C PHE A 41 3.050 2.443 -1.234 1.00 0.00 C ATOM 637 O PHE A 41 2.955 2.184 -0.035 1.00 0.00 O ATOM 638 CB PHE A 41 2.029 4.717 -1.276 1.00 0.00 C ATOM 639 CG PHE A 41 0.946 5.564 -1.901 1.00 0.00 C ATOM 640 CD1 PHE A 41 1.082 6.031 -3.215 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.193 5.890 -1.162 1.00 0.00 C ATOM 642 CE1 PHE A 41 0.079 6.822 -3.786 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.191 6.679 -1.728 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.057 7.147 -3.041 1.00 0.00 C ATOM 0 H PHE A 41 0.109 3.121 -1.084 1.00 0.00 H new ATOM 0 HA PHE A 41 2.277 3.440 -2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.864 4.630 -0.202 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.001 5.191 -1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.962 5.780 -3.788 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.300 5.530 -0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.183 7.180 -4.800 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.070 6.931 -1.153 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.832 7.759 -3.478 1.00 0.00 H new ATOM 654 N LYS A 42 4.024 1.962 -2.001 1.00 0.00 N ATOM 655 CA LYS A 42 5.059 1.082 -1.458 1.00 0.00 C ATOM 656 C LYS A 42 6.351 1.850 -1.216 1.00 0.00 C ATOM 657 O LYS A 42 6.799 2.621 -2.065 1.00 0.00 O ATOM 658 CB LYS A 42 5.317 -0.071 -2.433 1.00 0.00 C ATOM 659 CG LYS A 42 6.014 0.453 -3.697 1.00 0.00 C ATOM 660 CD LYS A 42 5.821 -0.538 -4.850 1.00 0.00 C ATOM 661 CE LYS A 42 6.215 -1.946 -4.392 1.00 0.00 C ATOM 662 NZ LYS A 42 6.345 -2.836 -5.579 1.00 0.00 N ATOM 0 H LYS A 42 4.120 2.164 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 42 4.711 0.685 -0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.936 -0.830 -1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.375 -0.550 -2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.606 1.426 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.077 0.596 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.782 -0.530 -5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.429 -0.240 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.157 -1.912 -3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.464 -2.341 -3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.612 -3.792 -5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.436 -2.877 -6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.077 -2.461 -6.215 1.00 0.00 H new ATOM 676 N THR A 43 6.946 1.629 -0.047 1.00 0.00 N ATOM 677 CA THR A 43 8.195 2.294 0.319 1.00 0.00 C ATOM 678 C THR A 43 9.105 1.316 1.057 1.00 0.00 C ATOM 679 O THR A 43 8.643 0.316 1.606 1.00 0.00 O ATOM 680 CB THR A 43 7.912 3.523 1.205 1.00 0.00 C ATOM 681 OG1 THR A 43 8.923 3.634 2.197 1.00 0.00 O ATOM 682 CG2 THR A 43 6.547 3.384 1.886 1.00 0.00 C ATOM 0 H THR A 43 6.584 0.994 0.664 1.00 0.00 H new ATOM 0 HA THR A 43 8.693 2.630 -0.591 1.00 0.00 H new ATOM 0 HB THR A 43 7.907 4.415 0.579 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.785 3.816 1.767 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.360 4.259 2.509 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.768 3.305 1.127 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.540 2.488 2.507 1.00 0.00 H new ATOM 690 N LYS A 44 10.400 1.606 1.057 1.00 0.00 N ATOM 691 CA LYS A 44 11.369 0.741 1.720 1.00 0.00 C ATOM 692 C LYS A 44 11.219 0.810 3.237 1.00 0.00 C ATOM 693 O LYS A 44 12.210 0.795 3.966 1.00 0.00 O ATOM 694 CB LYS A 44 12.789 1.154 1.328 1.00 0.00 C ATOM 695 CG LYS A 44 12.968 1.000 -0.184 1.00 0.00 C ATOM 696 CD LYS A 44 14.380 1.439 -0.578 1.00 0.00 C ATOM 697 CE LYS A 44 14.520 1.398 -2.101 1.00 0.00 C ATOM 698 NZ LYS A 44 14.263 0.012 -2.587 1.00 0.00 N ATOM 0 H LYS A 44 10.803 2.429 0.608 1.00 0.00 H new ATOM 0 HA LYS A 44 11.182 -0.284 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.973 2.187 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.517 0.537 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.803 -0.037 -0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.228 1.602 -0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.575 2.447 -0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.118 0.783 -0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.816 2.092 -2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.520 1.718 -2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.645 -0.095 -3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.726 -0.670 -1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.239 -0.167 -2.600 1.00 0.00 H new ATOM 712 N LEU A 45 9.976 0.882 3.710 1.00 0.00 N ATOM 713 CA LEU A 45 9.721 0.947 5.149 1.00 0.00 C ATOM 714 C LEU A 45 9.782 -0.459 5.751 1.00 0.00 C ATOM 715 O LEU A 45 10.804 -0.861 6.306 1.00 0.00 O ATOM 716 CB LEU A 45 8.333 1.596 5.413 1.00 0.00 C ATOM 717 CG LEU A 45 8.463 3.018 6.014 1.00 0.00 C ATOM 718 CD1 LEU A 45 9.273 2.996 7.330 1.00 0.00 C ATOM 719 CD2 LEU A 45 9.120 3.967 4.991 1.00 0.00 C ATOM 0 H LEU A 45 9.139 0.897 3.127 1.00 0.00 H new ATOM 0 HA LEU A 45 10.486 1.562 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.773 1.647 4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.761 0.965 6.094 1.00 0.00 H new ATOM 0 HG LEU A 45 7.462 3.384 6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.348 4.008 7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.771 2.356 8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.273 2.608 7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.207 4.964 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.112 3.595 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.506 4.014 4.091 1.00 0.00 H new ATOM 731 N ALA A 46 8.682 -1.201 5.639 1.00 0.00 N ATOM 732 CA ALA A 46 8.636 -2.554 6.182 1.00 0.00 C ATOM 733 C ALA A 46 7.375 -3.287 5.730 1.00 0.00 C ATOM 734 O ALA A 46 7.264 -4.502 5.898 1.00 0.00 O ATOM 735 CB ALA A 46 8.676 -2.502 7.710 1.00 0.00 C ATOM 0 H ALA A 46 7.823 -0.893 5.184 1.00 0.00 H new ATOM 0 HA ALA A 46 9.504 -3.098 5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.641 -3.516 8.110 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.596 -2.016 8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.819 -1.938 8.077 1.00 0.00 H new ATOM 741 N LYS A 47 6.424 -2.551 5.161 1.00 0.00 N ATOM 742 CA LYS A 47 5.182 -3.163 4.700 1.00 0.00 C ATOM 743 C LYS A 47 4.461 -2.264 3.696 1.00 0.00 C ATOM 744 O LYS A 47 4.912 -1.157 3.402 1.00 0.00 O ATOM 745 CB LYS A 47 4.266 -3.463 5.898 1.00 0.00 C ATOM 746 CG LYS A 47 3.618 -2.173 6.425 1.00 0.00 C ATOM 747 CD LYS A 47 4.688 -1.103 6.657 1.00 0.00 C ATOM 748 CE LYS A 47 4.113 0.020 7.531 1.00 0.00 C ATOM 749 NZ LYS A 47 2.659 0.182 7.245 1.00 0.00 N ATOM 0 H LYS A 47 6.487 -1.544 5.010 1.00 0.00 H new ATOM 0 HA LYS A 47 5.431 -4.097 4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.491 -4.170 5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.842 -3.937 6.693 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.879 -1.810 5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.089 -2.377 7.356 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.559 -1.545 7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.025 -0.698 5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.263 -0.213 8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.639 0.954 7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.404 1.189 7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.451 -0.176 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.106 -0.354 7.944 1.00 0.00 H new ATOM 763 N ASP A 48 3.339 -2.754 3.173 1.00 0.00 N ATOM 764 CA ASP A 48 2.553 -1.999 2.200 1.00 0.00 C ATOM 765 C ASP A 48 1.546 -1.094 2.908 1.00 0.00 C ATOM 766 O ASP A 48 1.021 -1.443 3.965 1.00 0.00 O ATOM 767 CB ASP A 48 1.808 -2.963 1.275 1.00 0.00 C ATOM 768 CG ASP A 48 1.130 -4.055 2.097 1.00 0.00 C ATOM 769 OD1 ASP A 48 1.816 -4.693 2.878 1.00 0.00 O ATOM 770 OD2 ASP A 48 -0.064 -4.236 1.933 1.00 0.00 O ATOM 0 H ASP A 48 2.954 -3.669 3.406 1.00 0.00 H new ATOM 0 HA ASP A 48 3.232 -1.380 1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.064 -2.419 0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.504 -3.410 0.565 1.00 0.00 H new ATOM 775 N ILE A 49 1.285 0.072 2.318 1.00 0.00 N ATOM 776 CA ILE A 49 0.341 1.037 2.889 1.00 0.00 C ATOM 777 C ILE A 49 -0.947 1.071 2.068 1.00 0.00 C ATOM 778 O ILE A 49 -0.903 1.126 0.844 1.00 0.00 O ATOM 779 CB ILE A 49 0.976 2.432 2.894 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.439 2.340 3.355 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.193 3.358 3.829 1.00 0.00 C ATOM 782 CD1 ILE A 49 2.530 1.704 4.749 1.00 0.00 C ATOM 0 H ILE A 49 1.714 0.373 1.443 1.00 0.00 H new ATOM 0 HA ILE A 49 0.103 0.734 3.909 1.00 0.00 H new ATOM 0 HB ILE A 49 0.947 2.839 1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.014 1.749 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.883 3.335 3.374 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.650 4.348 3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.839 3.434 3.485 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.210 2.952 4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.574 1.648 5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.974 2.311 5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.107 0.700 4.719 1.00 0.00 H new ATOM 794 N CYS A 50 -2.093 1.047 2.746 1.00 0.00 N ATOM 795 CA CYS A 50 -3.392 1.082 2.062 1.00 0.00 C ATOM 796 C CYS A 50 -3.975 2.495 2.115 1.00 0.00 C ATOM 797 O CYS A 50 -3.794 3.209 3.103 1.00 0.00 O ATOM 798 CB CYS A 50 -4.356 0.093 2.736 1.00 0.00 C ATOM 799 SG CYS A 50 -3.425 -1.335 3.348 1.00 0.00 S ATOM 0 H CYS A 50 -2.153 1.004 3.763 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.254 0.797 1.019 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.877 0.581 3.560 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.116 -0.232 2.026 1.00 0.00 H new ATOM 804 N ALA A 51 -4.669 2.900 1.053 1.00 0.00 N ATOM 805 CA ALA A 51 -5.261 4.238 1.010 1.00 0.00 C ATOM 806 C ALA A 51 -6.173 4.397 -0.210 1.00 0.00 C ATOM 807 O ALA A 51 -5.812 4.008 -1.319 1.00 0.00 O ATOM 808 CB ALA A 51 -4.148 5.294 0.978 1.00 0.00 C ATOM 0 H ALA A 51 -4.834 2.332 0.222 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.868 4.377 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.591 6.289 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.531 5.200 1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.529 5.144 0.093 1.00 0.00 H new ATOM 814 N ASP A 52 -7.358 4.970 0.008 1.00 0.00 N ATOM 815 CA ASP A 52 -8.324 5.172 -1.076 1.00 0.00 C ATOM 816 C ASP A 52 -8.086 6.518 -1.786 1.00 0.00 C ATOM 817 O ASP A 52 -7.708 7.498 -1.144 1.00 0.00 O ATOM 818 CB ASP A 52 -9.749 5.152 -0.498 1.00 0.00 C ATOM 819 CG ASP A 52 -10.230 3.716 -0.309 1.00 0.00 C ATOM 820 OD1 ASP A 52 -10.570 3.092 -1.300 1.00 0.00 O ATOM 821 OD2 ASP A 52 -10.254 3.264 0.821 1.00 0.00 O ATOM 0 H ASP A 52 -7.672 5.301 0.920 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.198 4.369 -1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.767 5.676 0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.426 5.683 -1.167 1.00 0.00 H new ATOM 826 N PRO A 53 -8.324 6.592 -3.083 1.00 0.00 N ATOM 827 CA PRO A 53 -8.147 7.857 -3.863 1.00 0.00 C ATOM 828 C PRO A 53 -9.211 8.893 -3.512 1.00 0.00 C ATOM 829 O PRO A 53 -10.103 9.183 -4.310 1.00 0.00 O ATOM 830 CB PRO A 53 -8.264 7.401 -5.327 1.00 0.00 C ATOM 831 CG PRO A 53 -9.110 6.171 -5.275 1.00 0.00 C ATOM 832 CD PRO A 53 -8.780 5.488 -3.948 1.00 0.00 C ATOM 0 HA PRO A 53 -7.198 8.349 -3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.723 8.172 -5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.284 7.190 -5.755 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.169 6.423 -5.331 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.894 5.513 -6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.653 4.987 -3.529 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.006 4.731 -4.070 1.00 0.00 H new ATOM 840 N LYS A 54 -9.103 9.450 -2.310 1.00 0.00 N ATOM 841 CA LYS A 54 -10.050 10.459 -1.847 1.00 0.00 C ATOM 842 C LYS A 54 -9.368 11.404 -0.867 1.00 0.00 C ATOM 843 O LYS A 54 -9.657 12.600 -0.841 1.00 0.00 O ATOM 844 CB LYS A 54 -11.244 9.787 -1.166 1.00 0.00 C ATOM 845 CG LYS A 54 -11.962 8.878 -2.165 1.00 0.00 C ATOM 846 CD LYS A 54 -13.318 8.460 -1.594 1.00 0.00 C ATOM 847 CE LYS A 54 -13.985 7.459 -2.540 1.00 0.00 C ATOM 848 NZ LYS A 54 -15.124 6.799 -1.841 1.00 0.00 N ATOM 0 H LYS A 54 -8.370 9.220 -1.639 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.403 11.028 -2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.906 9.206 -0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.932 10.543 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.100 9.399 -3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.355 7.996 -2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.187 8.013 -0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.955 9.335 -1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.340 7.969 -3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.261 6.712 -2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.578 6.118 -2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.772 6.299 -0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.818 7.518 -1.552 1.00 0.00 H new ATOM 862 N LYS A 55 -8.456 10.860 -0.065 1.00 0.00 N ATOM 863 CA LYS A 55 -7.734 11.671 0.908 1.00 0.00 C ATOM 864 C LYS A 55 -6.641 12.466 0.184 1.00 0.00 C ATOM 865 O LYS A 55 -6.081 12.006 -0.807 1.00 0.00 O ATOM 866 CB LYS A 55 -7.143 10.784 2.036 1.00 0.00 C ATOM 867 CG LYS A 55 -7.835 9.402 2.057 1.00 0.00 C ATOM 868 CD LYS A 55 -7.734 8.781 3.456 1.00 0.00 C ATOM 869 CE LYS A 55 -6.268 8.688 3.887 1.00 0.00 C ATOM 870 NZ LYS A 55 -5.818 10.012 4.402 1.00 0.00 N ATOM 0 H LYS A 55 -8.202 9.872 -0.070 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.422 12.371 1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.071 10.658 1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.272 11.277 3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.882 9.507 1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.370 8.743 1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.294 9.384 4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.184 7.788 3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.152 7.927 4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.648 8.384 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.157 10.442 3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.642 10.635 4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.341 9.885 5.317 1.00 0.00 H new ATOM 884 N LYS A 56 -6.385 13.678 0.656 1.00 0.00 N ATOM 885 CA LYS A 56 -5.406 14.561 0.018 1.00 0.00 C ATOM 886 C LYS A 56 -4.047 13.899 -0.237 1.00 0.00 C ATOM 887 O LYS A 56 -3.571 13.888 -1.372 1.00 0.00 O ATOM 888 CB LYS A 56 -5.203 15.807 0.884 1.00 0.00 C ATOM 889 CG LYS A 56 -4.517 16.903 0.060 1.00 0.00 C ATOM 890 CD LYS A 56 -3.960 17.981 0.997 1.00 0.00 C ATOM 891 CE LYS A 56 -5.093 18.572 1.842 1.00 0.00 C ATOM 892 NZ LYS A 56 -5.408 17.648 2.968 1.00 0.00 N ATOM 0 H LYS A 56 -6.839 14.076 1.478 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.816 14.819 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.164 16.165 1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.597 15.561 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.711 16.473 -0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.228 17.346 -0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.196 17.552 1.646 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.479 18.768 0.416 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.801 19.548 2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.979 18.726 1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.366 17.263 2.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.720 16.868 2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.357 18.167 3.868 1.00 0.00 H new ATOM 906 N TRP A 57 -3.399 13.391 0.808 1.00 0.00 N ATOM 907 CA TRP A 57 -2.073 12.791 0.636 1.00 0.00 C ATOM 908 C TRP A 57 -2.084 11.641 -0.368 1.00 0.00 C ATOM 909 O TRP A 57 -1.041 11.293 -0.923 1.00 0.00 O ATOM 910 CB TRP A 57 -1.501 12.321 1.981 1.00 0.00 C ATOM 911 CG TRP A 57 -2.108 11.020 2.404 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.253 10.895 3.112 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.615 9.664 2.181 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.495 9.553 3.337 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.518 8.755 2.781 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.486 9.136 1.520 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.311 7.377 2.733 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.276 7.747 1.470 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.188 6.871 2.076 1.00 0.00 C ATOM 0 H TRP A 57 -3.757 13.380 1.763 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.426 13.570 0.233 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.420 12.211 1.900 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.689 13.077 2.743 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.877 11.711 3.447 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.300 9.196 3.852 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.221 9.803 1.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.015 6.705 3.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.592 7.353 0.962 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.022 5.805 2.034 1.00 0.00 H new ATOM 930 N VAL A 58 -3.247 11.050 -0.604 1.00 0.00 N ATOM 931 CA VAL A 58 -3.330 9.944 -1.551 1.00 0.00 C ATOM 932 C VAL A 58 -3.262 10.456 -2.984 1.00 0.00 C ATOM 933 O VAL A 58 -2.427 10.012 -3.764 1.00 0.00 O ATOM 934 CB VAL A 58 -4.630 9.164 -1.340 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.766 8.072 -2.407 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.598 8.518 0.044 1.00 0.00 C ATOM 0 H VAL A 58 -4.130 11.310 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.482 9.281 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.479 9.843 -1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.694 7.522 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.779 8.530 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.922 7.387 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.520 7.959 0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.747 7.841 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.505 9.293 0.805 1.00 0.00 H new ATOM 946 N GLN A 59 -4.146 11.388 -3.325 1.00 0.00 N ATOM 947 CA GLN A 59 -4.172 11.938 -4.676 1.00 0.00 C ATOM 948 C GLN A 59 -2.885 12.708 -4.977 1.00 0.00 C ATOM 949 O GLN A 59 -2.418 12.735 -6.116 1.00 0.00 O ATOM 950 CB GLN A 59 -5.398 12.858 -4.856 1.00 0.00 C ATOM 951 CG GLN A 59 -6.544 12.400 -3.934 1.00 0.00 C ATOM 952 CD GLN A 59 -7.892 12.838 -4.502 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.690 12.002 -4.925 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.194 14.107 -4.535 1.00 0.00 N ATOM 0 H GLN A 59 -4.847 11.775 -2.693 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.246 11.109 -5.379 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.126 13.888 -4.627 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.727 12.839 -5.895 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.522 11.315 -3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.408 12.821 -2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.531 14.798 -4.184 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.093 14.408 -4.912 1.00 0.00 H new ATOM 963 N ASP A 60 -2.328 13.345 -3.954 1.00 0.00 N ATOM 964 CA ASP A 60 -1.107 14.126 -4.123 1.00 0.00 C ATOM 965 C ASP A 60 0.108 13.228 -4.355 1.00 0.00 C ATOM 966 O ASP A 60 1.058 13.621 -5.033 1.00 0.00 O ATOM 967 CB ASP A 60 -0.869 14.988 -2.878 1.00 0.00 C ATOM 968 CG ASP A 60 0.124 16.103 -3.192 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.201 16.946 -4.012 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.195 16.097 -2.608 1.00 0.00 O ATOM 0 H ASP A 60 -2.699 13.337 -3.004 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.235 14.760 -5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.812 15.416 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.488 14.369 -2.066 1.00 0.00 H new ATOM 975 N SER A 61 0.084 12.031 -3.777 1.00 0.00 N ATOM 976 CA SER A 61 1.205 11.104 -3.921 1.00 0.00 C ATOM 977 C SER A 61 1.323 10.578 -5.352 1.00 0.00 C ATOM 978 O SER A 61 2.398 10.632 -5.949 1.00 0.00 O ATOM 979 CB SER A 61 1.038 9.928 -2.956 1.00 0.00 C ATOM 980 OG SER A 61 1.759 8.809 -3.453 1.00 0.00 O ATOM 0 H SER A 61 -0.689 11.681 -3.211 1.00 0.00 H new ATOM 0 HA SER A 61 2.118 11.651 -3.685 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.403 10.200 -1.966 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.017 9.677 -2.849 1.00 0.00 H new ATOM 0 HG SER A 61 1.349 7.983 -3.122 1.00 0.00 H new ATOM 986 N MET A 62 0.225 10.063 -5.899 1.00 0.00 N ATOM 987 CA MET A 62 0.250 9.528 -7.260 1.00 0.00 C ATOM 988 C MET A 62 0.509 10.642 -8.271 1.00 0.00 C ATOM 989 O MET A 62 1.234 10.449 -9.247 1.00 0.00 O ATOM 990 CB MET A 62 -1.074 8.824 -7.587 1.00 0.00 C ATOM 991 CG MET A 62 -2.249 9.654 -7.068 1.00 0.00 C ATOM 992 SD MET A 62 -3.764 9.153 -7.916 1.00 0.00 S ATOM 993 CE MET A 62 -4.191 7.784 -6.814 1.00 0.00 C ATOM 0 H MET A 62 -0.680 10.004 -5.431 1.00 0.00 H new ATOM 0 HA MET A 62 1.060 8.801 -7.323 1.00 0.00 H new ATOM 0 HB2 MET A 62 -1.165 8.684 -8.664 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.090 7.833 -7.134 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.359 9.515 -5.993 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.060 10.715 -7.235 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.043 7.240 -7.223 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.339 7.110 -6.724 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.449 8.176 -5.830 1.00 0.00 H new ATOM 1003 N LYS A 63 -0.084 11.807 -8.032 1.00 0.00 N ATOM 1004 CA LYS A 63 0.098 12.941 -8.931 1.00 0.00 C ATOM 1005 C LYS A 63 1.579 13.291 -9.029 1.00 0.00 C ATOM 1006 O LYS A 63 2.114 13.486 -10.120 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.695 14.148 -8.411 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.372 15.404 -9.235 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.567 15.120 -10.730 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.716 16.438 -11.492 1.00 0.00 C ATOM 1011 NZ LYS A 63 -1.891 17.188 -10.963 1.00 0.00 N ATOM 0 H LYS A 63 -0.689 11.990 -7.232 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.269 12.676 -9.922 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.763 13.938 -8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.455 14.323 -7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.017 16.227 -8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.655 15.717 -9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.284 14.560 -11.117 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.451 14.501 -10.880 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.189 17.036 -11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.845 16.242 -12.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.305 17.765 -11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.603 16.516 -10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.586 17.807 -10.185 1.00 0.00 H new ATOM 1025 N TYR A 64 2.234 13.360 -7.878 1.00 0.00 N ATOM 1026 CA TYR A 64 3.655 13.677 -7.828 1.00 0.00 C ATOM 1027 C TYR A 64 4.449 12.612 -8.594 1.00 0.00 C ATOM 1028 O TYR A 64 5.499 12.896 -9.168 1.00 0.00 O ATOM 1029 CB TYR A 64 4.090 13.776 -6.341 1.00 0.00 C ATOM 1030 CG TYR A 64 5.424 13.092 -6.092 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.558 13.493 -6.808 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.521 12.063 -5.146 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.787 12.865 -6.580 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.751 11.436 -4.918 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.885 11.837 -5.635 1.00 0.00 C ATOM 1036 OH TYR A 64 9.097 11.218 -5.410 1.00 0.00 O ATOM 0 H TYR A 64 1.804 13.201 -6.967 1.00 0.00 H new ATOM 0 HA TYR A 64 3.855 14.635 -8.307 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.161 14.825 -6.053 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.326 13.323 -5.709 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.484 14.287 -7.536 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.646 11.754 -4.593 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.661 13.174 -7.134 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.826 10.643 -4.189 1.00 0.00 H new ATOM 0 HH TYR A 64 8.989 10.528 -4.722 1.00 0.00 H new ATOM 1046 N LEU A 65 3.939 11.388 -8.592 1.00 0.00 N ATOM 1047 CA LEU A 65 4.603 10.292 -9.287 1.00 0.00 C ATOM 1048 C LEU A 65 4.404 10.405 -10.798 1.00 0.00 C ATOM 1049 O LEU A 65 5.142 9.802 -11.577 1.00 0.00 O ATOM 1050 CB LEU A 65 4.065 8.941 -8.776 1.00 0.00 C ATOM 1051 CG LEU A 65 4.791 8.547 -7.464 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.893 7.634 -6.591 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.113 7.827 -7.806 1.00 0.00 C ATOM 0 H LEU A 65 3.073 11.129 -8.120 1.00 0.00 H new ATOM 0 HA LEU A 65 5.672 10.350 -9.081 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.991 9.010 -8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.216 8.170 -9.531 1.00 0.00 H new ATOM 0 HG LEU A 65 5.007 9.451 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.423 7.370 -5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.974 8.162 -6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.650 6.727 -7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.625 7.549 -6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.899 6.930 -8.387 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.750 8.493 -8.388 1.00 0.00 H new ATOM 1065 N ASP A 66 3.398 11.167 -11.202 1.00 0.00 N ATOM 1066 CA ASP A 66 3.101 11.338 -12.620 1.00 0.00 C ATOM 1067 C ASP A 66 4.157 12.204 -13.305 1.00 0.00 C ATOM 1068 O ASP A 66 4.463 12.013 -14.482 1.00 0.00 O ATOM 1069 CB ASP A 66 1.722 11.982 -12.776 1.00 0.00 C ATOM 1070 CG ASP A 66 1.177 11.737 -14.181 1.00 0.00 C ATOM 1071 OD1 ASP A 66 0.921 10.589 -14.505 1.00 0.00 O ATOM 1072 OD2 ASP A 66 1.026 12.702 -14.912 1.00 0.00 O ATOM 0 H ASP A 66 2.776 11.675 -10.573 1.00 0.00 H new ATOM 0 HA ASP A 66 3.108 10.357 -13.095 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.036 11.571 -12.036 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.790 13.053 -12.587 1.00 0.00 H new ATOM 1077 N GLN A 67 4.700 13.161 -12.563 1.00 0.00 N ATOM 1078 CA GLN A 67 5.712 14.060 -13.109 1.00 0.00 C ATOM 1079 C GLN A 67 6.934 13.282 -13.594 1.00 0.00 C ATOM 1080 O GLN A 67 7.358 13.425 -14.741 1.00 0.00 O ATOM 1081 CB GLN A 67 6.132 15.079 -12.040 1.00 0.00 C ATOM 1082 CG GLN A 67 4.921 15.433 -11.177 1.00 0.00 C ATOM 1083 CD GLN A 67 5.207 16.684 -10.354 1.00 0.00 C ATOM 1084 OE1 GLN A 67 6.094 17.466 -10.695 1.00 0.00 O ATOM 1085 NE2 GLN A 67 4.501 16.918 -9.283 1.00 0.00 N ATOM 0 H GLN A 67 4.459 13.335 -11.587 1.00 0.00 H new ATOM 0 HA GLN A 67 5.281 14.583 -13.963 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.927 14.666 -11.419 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.531 15.976 -12.513 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.050 15.597 -11.811 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.681 14.601 -10.515 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.767 16.267 -9.004 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.683 17.752 -8.724 1.00 0.00 H new ATOM 1094 N LYS A 68 7.496 12.461 -12.713 1.00 0.00 N ATOM 1095 CA LYS A 68 8.673 11.670 -13.061 1.00 0.00 C ATOM 1096 C LYS A 68 8.271 10.406 -13.815 1.00 0.00 C ATOM 1097 O LYS A 68 7.124 10.254 -14.235 1.00 0.00 O ATOM 1098 CB LYS A 68 9.436 11.279 -11.786 1.00 0.00 C ATOM 1099 CG LYS A 68 8.487 10.583 -10.799 1.00 0.00 C ATOM 1100 CD LYS A 68 9.291 9.808 -9.755 1.00 0.00 C ATOM 1101 CE LYS A 68 10.127 10.769 -8.914 1.00 0.00 C ATOM 1102 NZ LYS A 68 11.325 11.200 -9.689 1.00 0.00 N ATOM 0 H LYS A 68 7.159 12.326 -11.760 1.00 0.00 H new ATOM 0 HA LYS A 68 9.314 12.275 -13.703 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.264 10.616 -12.037 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.868 12.167 -11.324 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.855 11.322 -10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.825 9.904 -11.336 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.616 9.243 -9.112 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.941 9.085 -10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.530 11.637 -8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.436 10.284 -7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.169 11.141 -9.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.446 10.580 -10.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.197 12.181 -10.009 1.00 0.00 H new ATOM 1116 N SER A 69 9.229 9.494 -13.958 1.00 0.00 N ATOM 1117 CA SER A 69 8.999 8.217 -14.633 1.00 0.00 C ATOM 1118 C SER A 69 9.277 7.086 -13.645 1.00 0.00 C ATOM 1119 O SER A 69 10.387 6.554 -13.601 1.00 0.00 O ATOM 1120 CB SER A 69 9.938 8.087 -15.833 1.00 0.00 C ATOM 1121 OG SER A 69 9.744 6.818 -16.445 1.00 0.00 O ATOM 0 H SER A 69 10.181 9.616 -13.612 1.00 0.00 H new ATOM 0 HA SER A 69 7.968 8.166 -14.983 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.742 8.884 -16.551 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.974 8.194 -15.512 1.00 0.00 H new ATOM 0 HG SER A 69 10.343 6.731 -17.216 1.00 0.00 H new ATOM 1127 N PRO A 70 8.314 6.736 -12.828 1.00 0.00 N ATOM 1128 CA PRO A 70 8.485 5.683 -11.801 1.00 0.00 C ATOM 1129 C PRO A 70 8.154 4.289 -12.334 1.00 0.00 C ATOM 1130 O PRO A 70 8.958 3.364 -12.222 1.00 0.00 O ATOM 1131 CB PRO A 70 7.504 6.119 -10.710 1.00 0.00 C ATOM 1132 CG PRO A 70 6.384 6.809 -11.440 1.00 0.00 C ATOM 1133 CD PRO A 70 6.953 7.294 -12.790 1.00 0.00 C ATOM 0 HA PRO A 70 9.514 5.594 -11.453 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.137 5.262 -10.145 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.982 6.790 -9.996 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.549 6.127 -11.597 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.005 7.649 -10.858 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.353 6.937 -13.627 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.967 8.382 -12.849 1.00 0.00 H new ATOM 1141 N THR A 71 6.965 4.147 -12.912 1.00 0.00 N ATOM 1142 CA THR A 71 6.540 2.861 -13.456 1.00 0.00 C ATOM 1143 C THR A 71 7.576 2.338 -14.456 1.00 0.00 C ATOM 1144 O THR A 71 8.273 3.127 -15.095 1.00 0.00 O ATOM 1145 CB THR A 71 5.181 3.011 -14.156 1.00 0.00 C ATOM 1146 OG1 THR A 71 5.072 2.041 -15.187 1.00 0.00 O ATOM 1147 CG2 THR A 71 5.065 4.412 -14.762 1.00 0.00 C ATOM 0 H THR A 71 6.284 4.899 -13.015 1.00 0.00 H new ATOM 0 HA THR A 71 6.448 2.150 -12.635 1.00 0.00 H new ATOM 0 HB THR A 71 4.382 2.864 -13.429 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.205 2.134 -15.634 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.100 4.515 -15.258 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.149 5.158 -13.972 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.864 4.562 -15.488 1.00 0.00 H new ATOM 1155 N PRO A 72 7.693 1.039 -14.610 1.00 0.00 N ATOM 1156 CA PRO A 72 8.673 0.434 -15.564 1.00 0.00 C ATOM 1157 C PRO A 72 8.238 0.612 -17.019 1.00 0.00 C ATOM 1158 O PRO A 72 9.009 1.086 -17.851 1.00 0.00 O ATOM 1159 CB PRO A 72 8.690 -1.048 -15.164 1.00 0.00 C ATOM 1160 CG PRO A 72 7.329 -1.299 -14.602 1.00 0.00 C ATOM 1161 CD PRO A 72 6.917 -0.001 -13.903 1.00 0.00 C ATOM 0 HA PRO A 72 9.655 0.904 -15.508 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.889 -1.689 -16.023 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.467 -1.252 -14.428 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.623 -1.559 -15.391 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.344 -2.133 -13.900 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.844 0.175 -13.985 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.156 -0.025 -12.840 1.00 0.00 H new ATOM 1169 N LYS A 73 6.999 0.225 -17.309 1.00 0.00 N ATOM 1170 CA LYS A 73 6.452 0.337 -18.660 1.00 0.00 C ATOM 1171 C LYS A 73 7.348 -0.414 -19.660 1.00 0.00 C ATOM 1172 O LYS A 73 8.532 -0.626 -19.403 1.00 0.00 O ATOM 1173 CB LYS A 73 6.289 1.838 -19.036 1.00 0.00 C ATOM 1174 CG LYS A 73 7.272 2.273 -20.140 1.00 0.00 C ATOM 1175 CD LYS A 73 7.166 3.784 -20.350 1.00 0.00 C ATOM 1176 CE LYS A 73 7.995 4.190 -21.571 1.00 0.00 C ATOM 1177 NZ LYS A 73 7.702 5.609 -21.920 1.00 0.00 N ATOM 0 H LYS A 73 6.353 -0.170 -16.626 1.00 0.00 H new ATOM 0 HA LYS A 73 5.466 -0.126 -18.698 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.267 2.018 -19.371 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.447 2.452 -18.149 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.291 2.004 -19.861 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.047 1.749 -21.069 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.124 4.070 -20.494 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.522 4.311 -19.464 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.057 4.068 -21.360 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.761 3.541 -22.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.265 5.886 -22.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.690 5.711 -22.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.946 6.222 -21.116 1.00 0.00 H new ATOM 1191 N PRO A 74 6.805 -0.815 -20.783 1.00 0.00 N ATOM 1192 CA PRO A 74 7.576 -1.552 -21.830 1.00 0.00 C ATOM 1193 C PRO A 74 8.585 -0.644 -22.537 1.00 0.00 C ATOM 1194 O PRO A 74 9.742 -1.020 -22.607 1.00 0.00 O ATOM 1195 CB PRO A 74 6.489 -2.045 -22.796 1.00 0.00 C ATOM 1196 CG PRO A 74 5.375 -1.059 -22.649 1.00 0.00 C ATOM 1197 CD PRO A 74 5.399 -0.614 -21.185 1.00 0.00 C ATOM 1198 OXT PRO A 74 8.180 0.411 -22.997 1.00 0.00 O ATOM 0 HA PRO A 74 8.175 -2.363 -21.416 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.856 -2.078 -23.822 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.161 -3.053 -22.542 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.514 -0.210 -23.318 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.417 -1.511 -22.904 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.097 0.428 -21.078 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.719 -1.208 -20.574 1.00 0.00 H new TER 1206 PRO A 74 ATOM 1207 N VAL B 208 -9.506 13.479 18.903 1.00 0.00 N ATOM 1208 CA VAL B 208 -10.402 12.600 18.101 1.00 0.00 C ATOM 1209 C VAL B 208 -9.595 11.927 16.996 1.00 0.00 C ATOM 1210 O VAL B 208 -9.781 10.745 16.711 1.00 0.00 O ATOM 1211 CB VAL B 208 -11.524 13.442 17.490 1.00 0.00 C ATOM 1212 CG1 VAL B 208 -12.578 12.520 16.874 1.00 0.00 C ATOM 1213 CG2 VAL B 208 -12.171 14.297 18.582 1.00 0.00 C ATOM 0 HA VAL B 208 -10.838 11.834 18.743 1.00 0.00 H new ATOM 0 HB VAL B 208 -11.112 14.090 16.716 1.00 0.00 H new ATOM 0 HG11 VAL B 208 -13.377 13.120 16.439 1.00 0.00 H new ATOM 0 HG12 VAL B 208 -12.118 11.910 16.097 1.00 0.00 H new ATOM 0 HG13 VAL B 208 -12.991 11.872 17.647 1.00 0.00 H new ATOM 0 HG21 VAL B 208 -12.971 14.897 18.148 1.00 0.00 H new ATOM 0 HG22 VAL B 208 -12.583 13.649 19.355 1.00 0.00 H new ATOM 0 HG23 VAL B 208 -11.421 14.955 19.021 1.00 0.00 H new ATOM 1225 N GLU B 209 -8.699 12.689 16.377 1.00 0.00 N ATOM 1226 CA GLU B 209 -7.869 12.156 15.304 1.00 0.00 C ATOM 1227 C GLU B 209 -8.735 11.655 14.153 1.00 0.00 C ATOM 1228 O GLU B 209 -9.836 11.146 14.368 1.00 0.00 O ATOM 1229 CB GLU B 209 -7.005 11.009 15.833 1.00 0.00 C ATOM 1230 CG GLU B 209 -5.906 10.686 14.818 1.00 0.00 C ATOM 1231 CD GLU B 209 -4.858 11.792 14.815 1.00 0.00 C ATOM 1232 OE1 GLU B 209 -3.990 11.763 15.672 1.00 0.00 O ATOM 1233 OE2 GLU B 209 -4.939 12.654 13.955 1.00 0.00 O ATOM 0 H GLU B 209 -8.530 13.670 16.598 1.00 0.00 H new ATOM 0 HA GLU B 209 -7.226 12.956 14.937 1.00 0.00 H new ATOM 0 HB2 GLU B 209 -6.561 11.285 16.789 1.00 0.00 H new ATOM 0 HB3 GLU B 209 -7.621 10.128 16.010 1.00 0.00 H new ATOM 0 HG2 GLU B 209 -5.440 9.732 15.066 1.00 0.00 H new ATOM 0 HG3 GLU B 209 -6.338 10.580 13.823 1.00 0.00 H new ATOM 1240 N THR B 210 -8.231 11.802 12.931 1.00 0.00 N ATOM 1241 CA THR B 210 -8.964 11.362 11.746 1.00 0.00 C ATOM 1242 C THR B 210 -7.996 11.014 10.620 1.00 0.00 C ATOM 1243 O THR B 210 -6.781 11.139 10.773 1.00 0.00 O ATOM 1244 CB THR B 210 -9.915 12.467 11.277 1.00 0.00 C ATOM 1245 OG1 THR B 210 -9.178 13.662 11.059 1.00 0.00 O ATOM 1246 CG2 THR B 210 -10.985 12.714 12.342 1.00 0.00 C ATOM 0 H THR B 210 -7.322 12.221 12.735 1.00 0.00 H new ATOM 0 HA THR B 210 -9.540 10.474 12.007 1.00 0.00 H new ATOM 0 HB THR B 210 -10.396 12.160 10.349 1.00 0.00 H new ATOM 0 HG1 THR B 210 -9.785 14.370 10.757 1.00 0.00 H new ATOM 0 HG21 THR B 210 -11.660 13.501 12.004 1.00 0.00 H new ATOM 0 HG22 THR B 210 -11.551 11.798 12.508 1.00 0.00 H new ATOM 0 HG23 THR B 210 -10.508 13.020 13.273 1.00 0.00 H new ATOM 1254 N PHE B 211 -8.541 10.576 9.490 1.00 0.00 N ATOM 1255 CA PHE B 211 -7.713 10.211 8.346 1.00 0.00 C ATOM 1256 C PHE B 211 -7.242 11.463 7.610 1.00 0.00 C ATOM 1257 O PHE B 211 -7.396 11.575 6.394 1.00 0.00 O ATOM 1258 CB PHE B 211 -8.505 9.319 7.385 1.00 0.00 C ATOM 1259 CG PHE B 211 -8.752 7.967 8.024 1.00 0.00 C ATOM 1260 CD1 PHE B 211 -9.605 7.864 9.130 1.00 0.00 C ATOM 1261 CD2 PHE B 211 -8.130 6.819 7.512 1.00 0.00 C ATOM 1262 CE1 PHE B 211 -9.837 6.618 9.723 1.00 0.00 C ATOM 1263 CE2 PHE B 211 -8.364 5.573 8.106 1.00 0.00 C ATOM 1264 CZ PHE B 211 -9.216 5.473 9.211 1.00 0.00 C ATOM 0 H PHE B 211 -9.544 10.466 9.342 1.00 0.00 H new ATOM 0 HA PHE B 211 -6.843 9.664 8.710 1.00 0.00 H new ATOM 0 HB2 PHE B 211 -9.455 9.792 7.135 1.00 0.00 H new ATOM 0 HB3 PHE B 211 -7.955 9.195 6.452 1.00 0.00 H new ATOM 0 HD1 PHE B 211 -10.084 8.747 9.526 1.00 0.00 H new ATOM 0 HD2 PHE B 211 -7.471 6.896 6.660 1.00 0.00 H new ATOM 0 HE1 PHE B 211 -10.495 6.540 10.576 1.00 0.00 H new ATOM 0 HE2 PHE B 211 -7.886 4.689 7.711 1.00 0.00 H new ATOM 0 HZ PHE B 211 -9.395 4.512 9.669 1.00 0.00 H new ATOM 1274 N GLY B 212 -6.668 12.402 8.358 1.00 0.00 N ATOM 1275 CA GLY B 212 -6.179 13.645 7.769 1.00 0.00 C ATOM 1276 C GLY B 212 -4.802 13.450 7.142 1.00 0.00 C ATOM 1277 O GLY B 212 -4.553 12.451 6.467 1.00 0.00 O ATOM 0 H GLY B 212 -6.531 12.327 9.366 1.00 0.00 H new ATOM 0 HA2 GLY B 212 -6.881 13.993 7.011 1.00 0.00 H new ATOM 0 HA3 GLY B 212 -6.127 14.419 8.535 1.00 0.00 H new ATOM 1281 N THR B 213 -3.912 14.411 7.370 1.00 0.00 N ATOM 1282 CA THR B 213 -2.561 14.336 6.821 1.00 0.00 C ATOM 1283 C THR B 213 -1.610 15.235 7.606 1.00 0.00 C ATOM 1284 O THR B 213 -1.756 16.457 7.612 1.00 0.00 O ATOM 1285 CB THR B 213 -2.571 14.763 5.349 1.00 0.00 C ATOM 1286 OG1 THR B 213 -1.265 15.174 4.970 1.00 0.00 O ATOM 1287 CG2 THR B 213 -3.550 15.922 5.159 1.00 0.00 C ATOM 0 H THR B 213 -4.099 15.245 7.927 1.00 0.00 H new ATOM 0 HA THR B 213 -2.215 13.305 6.900 1.00 0.00 H new ATOM 0 HB THR B 213 -2.883 13.924 4.727 1.00 0.00 H new ATOM 0 HG1 THR B 213 -1.268 15.446 4.029 1.00 0.00 H new ATOM 0 HG21 THR B 213 -3.556 16.225 4.112 1.00 0.00 H new ATOM 0 HG22 THR B 213 -4.551 15.604 5.451 1.00 0.00 H new ATOM 0 HG23 THR B 213 -3.241 16.764 5.778 1.00 0.00 H new ATOM 1295 N THR B 214 -0.634 14.618 8.265 1.00 0.00 N ATOM 1296 CA THR B 214 0.340 15.368 9.052 1.00 0.00 C ATOM 1297 C THR B 214 1.493 14.463 9.474 1.00 0.00 C ATOM 1298 O THR B 214 1.377 13.703 10.435 1.00 0.00 O ATOM 1299 CB THR B 214 -0.331 15.955 10.297 1.00 0.00 C ATOM 1300 OG1 THR B 214 -1.329 16.885 9.900 1.00 0.00 O ATOM 1301 CG2 THR B 214 0.716 16.663 11.158 1.00 0.00 C ATOM 0 H THR B 214 -0.496 13.607 8.270 1.00 0.00 H new ATOM 0 HA THR B 214 0.731 16.178 8.436 1.00 0.00 H new ATOM 0 HB THR B 214 -0.790 15.153 10.875 1.00 0.00 H new ATOM 0 HG1 THR B 214 -1.217 17.100 8.951 1.00 0.00 H new ATOM 0 HG21 THR B 214 0.237 17.080 12.044 1.00 0.00 H new ATOM 0 HG22 THR B 214 1.481 15.948 11.462 1.00 0.00 H new ATOM 0 HG23 THR B 214 1.178 17.466 10.583 1.00 0.00 H new ATOM 1309 N SER B 215 2.605 14.546 8.746 1.00 0.00 N ATOM 1310 CA SER B 215 3.769 13.724 9.055 1.00 0.00 C ATOM 1311 C SER B 215 3.361 12.260 9.189 1.00 0.00 C ATOM 1312 O SER B 215 2.180 11.925 9.090 1.00 0.00 O ATOM 1313 CB SER B 215 4.418 14.197 10.356 1.00 0.00 C ATOM 1314 OG SER B 215 4.479 15.617 10.358 1.00 0.00 O ATOM 0 H SER B 215 2.723 15.168 7.946 1.00 0.00 H new ATOM 0 HA SER B 215 4.487 13.821 8.241 1.00 0.00 H new ATOM 0 HB2 SER B 215 3.843 13.844 11.212 1.00 0.00 H new ATOM 0 HB3 SER B 215 5.420 13.778 10.450 1.00 0.00 H new ATOM 0 HG SER B 215 4.893 15.925 11.191 1.00 0.00 H new HETATM 1320 N TYS B 216 4.339 11.390 9.414 1.00 0.00 N HETATM 1321 CA TYS B 216 4.056 9.967 9.558 1.00 0.00 C HETATM 1322 CB TYS B 216 3.570 9.402 8.220 1.00 0.00 C HETATM 1323 CG TYS B 216 3.175 7.946 8.374 1.00 0.00 C HETATM 1324 CD1 TYS B 216 3.841 6.958 7.639 1.00 0.00 C HETATM 1325 CD2 TYS B 216 2.136 7.586 9.245 1.00 0.00 C HETATM 1326 CE1 TYS B 216 3.469 5.614 7.776 1.00 0.00 C HETATM 1327 CE2 TYS B 216 1.768 6.243 9.380 1.00 0.00 C HETATM 1328 CZ TYS B 216 2.433 5.258 8.646 1.00 0.00 C HETATM 1329 OH TYS B 216 2.069 3.937 8.780 1.00 0.00 O HETATM 1330 S TYS B 216 2.524 3.134 10.007 1.00 0.00 S HETATM 1331 O1 TYS B 216 1.333 2.734 10.807 1.00 0.00 O HETATM 1332 O2 TYS B 216 3.256 1.915 9.561 1.00 0.00 O HETATM 1333 O3 TYS B 216 3.424 3.975 10.845 1.00 0.00 O HETATM 1334 C TYS B 216 5.296 9.215 10.033 1.00 0.00 C HETATM 1335 O TYS B 216 5.235 8.023 10.333 1.00 0.00 O HETATM 0 HO3 TYS B 216 3.714 3.463 11.629 1.00 0.00 H new HETATM 0 HE2 TYS B 216 0.962 5.965 10.059 1.00 0.00 H new HETATM 0 HE1 TYS B 216 3.988 4.845 7.204 1.00 0.00 H new HETATM 0 HD2 TYS B 216 1.615 8.353 9.817 1.00 0.00 H new HETATM 0 HD1 TYS B 216 4.648 7.234 6.961 1.00 0.00 H new HETATM 0 HB3 TYS B 216 2.719 9.981 7.861 1.00 0.00 H new HETATM 0 HB2 TYS B 216 4.357 9.495 7.471 1.00 0.00 H new HETATM 0 HA TYS B 216 3.275 9.837 10.307 1.00 0.00 H new HETATM 1344 N TYS B 217 6.415 9.929 10.118 1.00 0.00 N HETATM 1345 CA TYS B 217 7.666 9.335 10.580 1.00 0.00 C HETATM 1346 CB TYS B 217 8.379 8.595 9.433 1.00 0.00 C HETATM 1347 CG TYS B 217 7.740 7.238 9.192 1.00 0.00 C HETATM 1348 CD1 TYS B 217 7.171 6.940 7.944 1.00 0.00 C HETATM 1349 CD2 TYS B 217 7.728 6.270 10.211 1.00 0.00 C HETATM 1350 CE1 TYS B 217 6.592 5.686 7.717 1.00 0.00 C HETATM 1351 CE2 TYS B 217 7.145 5.018 9.981 1.00 0.00 C HETATM 1352 CZ TYS B 217 6.576 4.725 8.735 1.00 0.00 C HETATM 1353 OH TYS B 217 6.005 3.490 8.509 1.00 0.00 O HETATM 1354 S TYS B 217 6.615 2.223 9.131 1.00 0.00 S HETATM 1355 O1 TYS B 217 6.725 1.162 8.090 1.00 0.00 O HETATM 1356 O2 TYS B 217 7.971 2.528 9.667 1.00 0.00 O HETATM 1357 O3 TYS B 217 5.741 1.742 10.237 1.00 0.00 O HETATM 1358 C TYS B 217 8.583 10.423 11.132 1.00 0.00 C HETATM 1359 O TYS B 217 9.760 10.183 11.396 1.00 0.00 O HETATM 0 HO3 TYS B 217 4.839 2.107 10.123 1.00 0.00 H new HETATM 0 HE2 TYS B 217 7.134 4.270 10.773 1.00 0.00 H new HETATM 0 HE1 TYS B 217 6.153 5.457 6.746 1.00 0.00 H new HETATM 0 HD2 TYS B 217 8.173 6.494 11.181 1.00 0.00 H new HETATM 0 HD1 TYS B 217 7.180 7.687 7.150 1.00 0.00 H new HETATM 0 HB3 TYS B 217 8.331 9.192 8.522 1.00 0.00 H new HETATM 0 HB2 TYS B 217 9.434 8.468 9.676 1.00 0.00 H new HETATM 0 HA TYS B 217 7.433 8.617 11.366 1.00 0.00 H new ATOM 1368 N ASP B 218 8.032 11.622 11.305 1.00 0.00 N ATOM 1369 CA ASP B 218 8.810 12.739 11.828 1.00 0.00 C ATOM 1370 C ASP B 218 9.584 12.311 13.069 1.00 0.00 C ATOM 1371 O ASP B 218 10.556 12.956 13.461 1.00 0.00 O ATOM 1372 CB ASP B 218 7.882 13.903 12.177 1.00 0.00 C ATOM 1373 CG ASP B 218 6.689 13.397 12.980 1.00 0.00 C ATOM 1374 OD1 ASP B 218 6.117 12.395 12.587 1.00 0.00 O ATOM 1375 OD2 ASP B 218 6.366 14.020 13.979 1.00 0.00 O ATOM 0 H ASP B 218 7.059 11.843 11.093 1.00 0.00 H new ATOM 0 HA ASP B 218 9.518 13.058 11.063 1.00 0.00 H new ATOM 0 HB2 ASP B 218 8.426 14.653 12.752 1.00 0.00 H new ATOM 0 HB3 ASP B 218 7.537 14.390 11.265 1.00 0.00 H new ATOM 1380 N ASP B 219 9.146 11.217 13.683 1.00 0.00 N ATOM 1381 CA ASP B 219 9.805 10.708 14.879 1.00 0.00 C ATOM 1382 C ASP B 219 11.143 10.073 14.521 1.00 0.00 C ATOM 1383 O ASP B 219 12.096 10.128 15.298 1.00 0.00 O ATOM 1384 CB ASP B 219 8.914 9.671 15.566 1.00 0.00 C ATOM 1385 CG ASP B 219 7.667 10.345 16.129 1.00 0.00 C ATOM 1386 OD1 ASP B 219 7.819 11.316 16.852 1.00 0.00 O ATOM 1387 OD2 ASP B 219 6.580 9.882 15.827 1.00 0.00 O ATOM 0 H ASP B 219 8.343 10.669 13.374 1.00 0.00 H new ATOM 0 HA ASP B 219 9.980 11.542 15.558 1.00 0.00 H new ATOM 0 HB2 ASP B 219 8.629 8.896 14.854 1.00 0.00 H new ATOM 0 HB3 ASP B 219 9.465 9.180 16.368 1.00 0.00 H new ATOM 1392 N VAL B 220 11.207 9.470 13.338 1.00 0.00 N ATOM 1393 CA VAL B 220 12.434 8.825 12.886 1.00 0.00 C ATOM 1394 C VAL B 220 12.876 7.770 13.892 1.00 0.00 C ATOM 1395 O VAL B 220 12.482 7.806 15.057 1.00 0.00 O ATOM 1396 CB VAL B 220 13.536 9.871 12.708 1.00 0.00 C ATOM 1397 CG1 VAL B 220 14.689 9.272 11.900 1.00 0.00 C ATOM 1398 CG2 VAL B 220 12.968 11.081 11.962 1.00 0.00 C ATOM 0 H VAL B 220 10.430 9.415 12.680 1.00 0.00 H new ATOM 0 HA VAL B 220 12.245 8.339 11.929 1.00 0.00 H new ATOM 0 HB VAL B 220 13.904 10.181 13.686 1.00 0.00 H new ATOM 0 HG11 VAL B 220 15.472 10.019 11.775 1.00 0.00 H new ATOM 0 HG12 VAL B 220 15.093 8.408 12.428 1.00 0.00 H new ATOM 0 HG13 VAL B 220 14.324 8.961 10.921 1.00 0.00 H new ATOM 0 HG21 VAL B 220 13.750 11.829 11.833 1.00 0.00 H new ATOM 0 HG22 VAL B 220 12.602 10.767 10.985 1.00 0.00 H new ATOM 0 HG23 VAL B 220 12.147 11.510 12.536 1.00 0.00 H new ATOM 1408 N GLY B 221 13.686 6.822 13.433 1.00 0.00 N ATOM 1409 CA GLY B 221 14.159 5.755 14.306 1.00 0.00 C ATOM 1410 C GLY B 221 13.055 4.728 14.530 1.00 0.00 C ATOM 1411 O GLY B 221 13.325 3.552 14.777 1.00 0.00 O ATOM 0 H GLY B 221 14.025 6.770 12.472 1.00 0.00 H new ATOM 0 HA2 GLY B 221 15.030 5.272 13.863 1.00 0.00 H new ATOM 0 HA3 GLY B 221 14.477 6.172 15.262 1.00 0.00 H new ATOM 1415 N LEU B 222 11.810 5.184 14.435 1.00 0.00 N ATOM 1416 CA LEU B 222 10.663 4.306 14.619 1.00 0.00 C ATOM 1417 C LEU B 222 10.845 3.033 13.797 1.00 0.00 C ATOM 1418 O LEU B 222 10.198 2.017 14.052 1.00 0.00 O ATOM 1419 CB LEU B 222 9.386 5.038 14.184 1.00 0.00 C ATOM 1420 CG LEU B 222 8.171 4.101 14.247 1.00 0.00 C ATOM 1421 CD1 LEU B 222 8.035 3.505 15.655 1.00 0.00 C ATOM 1422 CD2 LEU B 222 6.910 4.902 13.905 1.00 0.00 C ATOM 0 H LEU B 222 11.571 6.155 14.232 1.00 0.00 H new ATOM 0 HA LEU B 222 10.580 4.033 15.671 1.00 0.00 H new ATOM 0 HB2 LEU B 222 9.219 5.901 14.828 1.00 0.00 H new ATOM 0 HB3 LEU B 222 9.506 5.417 13.169 1.00 0.00 H new ATOM 0 HG LEU B 222 8.302 3.288 13.533 1.00 0.00 H new ATOM 0 HD11 LEU B 222 7.170 2.842 15.688 1.00 0.00 H new ATOM 0 HD12 LEU B 222 8.935 2.940 15.899 1.00 0.00 H new ATOM 0 HD13 LEU B 222 7.904 4.309 16.379 1.00 0.00 H new ATOM 0 HD21 LEU B 222 6.040 4.246 13.947 1.00 0.00 H new ATOM 0 HD22 LEU B 222 6.788 5.713 14.623 1.00 0.00 H new ATOM 0 HD23 LEU B 222 7.004 5.317 12.902 1.00 0.00 H new ATOM 1434 N LEU B 223 11.731 3.100 12.809 1.00 0.00 N ATOM 1435 CA LEU B 223 11.997 1.953 11.951 1.00 0.00 C ATOM 1436 C LEU B 223 12.329 0.725 12.797 1.00 0.00 C ATOM 1437 O LEU B 223 11.496 -0.164 12.868 1.00 0.00 O ATOM 1438 CB LEU B 223 13.167 2.280 11.004 1.00 0.00 C ATOM 1439 CG LEU B 223 13.080 1.446 9.711 1.00 0.00 C ATOM 1440 CD1 LEU B 223 12.973 -0.042 10.059 1.00 0.00 C ATOM 1441 CD2 LEU B 223 11.861 1.877 8.864 1.00 0.00 C ATOM 1442 OXT LEU B 223 13.410 0.693 13.362 1.00 0.00 O ATOM 0 H LEU B 223 12.275 3.933 12.584 1.00 0.00 H new ATOM 0 HA LEU B 223 11.108 1.734 11.360 1.00 0.00 H new ATOM 0 HB2 LEU B 223 13.154 3.342 10.758 1.00 0.00 H new ATOM 0 HB3 LEU B 223 14.113 2.081 11.507 1.00 0.00 H new ATOM 0 HG LEU B 223 13.984 1.617 9.127 1.00 0.00 H new ATOM 0 HD11 LEU B 223 12.912 -0.627 9.141 1.00 0.00 H new ATOM 0 HD12 LEU B 223 13.853 -0.347 10.626 1.00 0.00 H new ATOM 0 HD13 LEU B 223 12.078 -0.212 10.658 1.00 0.00 H new ATOM 0 HD21 LEU B 223 11.818 1.276 7.956 1.00 0.00 H new ATOM 0 HD22 LEU B 223 10.947 1.730 9.440 1.00 0.00 H new ATOM 0 HD23 LEU B 223 11.957 2.930 8.598 1.00 0.00 H new TER 1454 LEU B 223