USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 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: A 64 TYR OH : rot 180:sc= 0.257 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -126:sc= 0.272 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -125:sc= -0.966 (180deg=-3.45!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -12:sc= 0.782! USER MOD Single : A 8 THR OG1 : rot 18:sc= 1.3 USER MOD Single : A 12 ASN : amide:sc= -1.88! C(o=-1.9!,f=-1.5!) USER MOD Single : A 15 ASN : amide:sc= -3.11! C(o=-3.1!,f=-11!) USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= -2.77! (180deg=-2.99!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0214 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -12:sc= 0.263 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.679 X(o=-0.68,f=-0.42) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -140:sc= -1.62 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 152:sc= -0.608 (180deg=-2.81!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 152:sc= -0.315 (180deg=-1.43!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -148:sc= 0.732 USER MOD Single : A 62 MET CE :methyl -175:sc= -0.539 (180deg=-0.61) USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= -0.146 (180deg=-1.04) USER MOD Single : A 67 GLN : amide:sc= -0.924 K(o=-0.92,f=-0.012) USER MOD Single : A 69 SER OG : rot -10:sc= 0.588 USER MOD Single : A 71 THR OG1 : rot -91:sc= -0.315 USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= -0.0313 (180deg=-0.279) USER MOD Single : B 210 THR OG1 : rot -11:sc= 0.328 USER MOD Single : B 213 THR OG1 : rot 110:sc= -0.847 USER MOD Single : B 214 THR OG1 : rot 180:sc= 0.555 USER MOD Single : B 215 SER OG : rot 180:sc= 0 USER MOD Single : B 216 TYS O3 : rot 180:sc= 0 USER MOD Single : B 217 TYS O3 : rot -179:sc= -4.58! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.831 -17.286 -2.798 1.00 0.00 N ATOM 2 CA GLY A 1 -9.665 -16.853 -1.381 1.00 0.00 C ATOM 3 C GLY A 1 -8.517 -15.852 -1.285 1.00 0.00 C ATOM 4 O GLY A 1 -8.730 -14.676 -0.988 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.812 -17.117 -3.100 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.184 -16.744 -3.405 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.614 -18.300 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.588 -16.400 -1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.463 -17.716 -0.747 1.00 0.00 H new ATOM 10 N PRO A 2 -7.313 -16.298 -1.528 1.00 0.00 N ATOM 11 CA PRO A 2 -6.102 -15.427 -1.469 1.00 0.00 C ATOM 12 C PRO A 2 -6.011 -14.494 -2.677 1.00 0.00 C ATOM 13 O PRO A 2 -6.462 -14.833 -3.771 1.00 0.00 O ATOM 14 CB PRO A 2 -4.945 -16.435 -1.451 1.00 0.00 C ATOM 15 CG PRO A 2 -5.469 -17.627 -2.189 1.00 0.00 C ATOM 16 CD PRO A 2 -6.972 -17.686 -1.889 1.00 0.00 C ATOM 0 HA PRO A 2 -6.104 -14.762 -0.606 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.057 -16.028 -1.935 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -4.661 -16.694 -0.431 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.289 -17.533 -3.260 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.970 -18.539 -1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.540 -18.025 -2.755 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.191 -18.377 -1.074 1.00 0.00 H new ATOM 24 N ALA A 3 -5.426 -13.319 -2.467 1.00 0.00 N ATOM 25 CA ALA A 3 -5.282 -12.347 -3.544 1.00 0.00 C ATOM 26 C ALA A 3 -4.322 -11.234 -3.136 1.00 0.00 C ATOM 27 O ALA A 3 -4.589 -10.483 -2.199 1.00 0.00 O ATOM 28 CB ALA A 3 -6.645 -11.745 -3.890 1.00 0.00 C ATOM 0 H ALA A 3 -5.047 -13.019 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 3 -4.878 -12.858 -4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.529 -11.020 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.322 -12.537 -4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.057 -11.248 -3.012 1.00 0.00 H new ATOM 34 N SER A 4 -3.203 -11.135 -3.848 1.00 0.00 N ATOM 35 CA SER A 4 -2.210 -10.110 -3.551 1.00 0.00 C ATOM 36 C SER A 4 -1.785 -10.181 -2.088 1.00 0.00 C ATOM 37 O SER A 4 -1.498 -9.158 -1.465 1.00 0.00 O ATOM 38 CB SER A 4 -2.783 -8.724 -3.853 1.00 0.00 C ATOM 39 OG SER A 4 -2.882 -8.553 -5.260 1.00 0.00 O ATOM 0 H SER A 4 -2.963 -11.747 -4.628 1.00 0.00 H new ATOM 0 HA SER A 4 -1.336 -10.286 -4.179 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.765 -8.615 -3.392 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.143 -7.952 -3.425 1.00 0.00 H new ATOM 0 HG SER A 4 -3.250 -7.666 -5.457 1.00 0.00 H new ATOM 45 N VAL A 5 -1.750 -11.393 -1.545 1.00 0.00 N ATOM 46 CA VAL A 5 -1.359 -11.585 -0.154 1.00 0.00 C ATOM 47 C VAL A 5 0.156 -11.434 0.033 1.00 0.00 C ATOM 48 O VAL A 5 0.603 -10.946 1.071 1.00 0.00 O ATOM 49 CB VAL A 5 -1.807 -12.969 0.336 1.00 0.00 C ATOM 50 CG1 VAL A 5 -1.865 -12.986 1.866 1.00 0.00 C ATOM 51 CG2 VAL A 5 -3.195 -13.281 -0.228 1.00 0.00 C ATOM 0 H VAL A 5 -1.986 -12.251 -2.043 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.851 -10.812 0.437 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.093 -13.719 -0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.184 -13.971 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.877 -12.764 2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.575 -12.235 2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.516 -14.263 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.904 -12.527 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.155 -13.275 -1.317 1.00 0.00 H new ATOM 61 N PRO A 6 0.957 -11.839 -0.930 1.00 0.00 N ATOM 62 CA PRO A 6 2.446 -11.731 -0.822 1.00 0.00 C ATOM 63 C PRO A 6 2.898 -10.303 -0.518 1.00 0.00 C ATOM 64 O PRO A 6 3.750 -10.080 0.342 1.00 0.00 O ATOM 65 CB PRO A 6 2.949 -12.201 -2.199 1.00 0.00 C ATOM 66 CG PRO A 6 1.848 -13.055 -2.738 1.00 0.00 C ATOM 67 CD PRO A 6 0.553 -12.437 -2.216 1.00 0.00 C ATOM 0 HA PRO A 6 2.844 -12.327 -0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.151 -11.355 -2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.878 -12.764 -2.109 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.863 -13.071 -3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.953 -14.087 -2.402 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.160 -11.687 -2.902 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.226 -13.188 -2.084 1.00 0.00 H new ATOM 75 N THR A 7 2.320 -9.340 -1.230 1.00 0.00 N ATOM 76 CA THR A 7 2.671 -7.939 -1.029 1.00 0.00 C ATOM 77 C THR A 7 2.229 -7.469 0.353 1.00 0.00 C ATOM 78 O THR A 7 2.338 -6.289 0.683 1.00 0.00 O ATOM 79 CB THR A 7 2.004 -7.074 -2.102 1.00 0.00 C ATOM 80 OG1 THR A 7 2.151 -5.703 -1.759 1.00 0.00 O ATOM 81 CG2 THR A 7 0.517 -7.424 -2.190 1.00 0.00 C ATOM 0 H THR A 7 1.612 -9.503 -1.946 1.00 0.00 H new ATOM 0 HA THR A 7 3.754 -7.841 -1.105 1.00 0.00 H new ATOM 0 HB THR A 7 2.476 -7.261 -3.067 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.470 -5.629 -0.835 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.043 -6.808 -2.954 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.406 -8.476 -2.452 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.042 -7.238 -1.227 1.00 0.00 H new ATOM 89 N THR A 8 1.730 -8.403 1.158 1.00 0.00 N ATOM 90 CA THR A 8 1.276 -8.073 2.504 1.00 0.00 C ATOM 91 C THR A 8 0.299 -6.902 2.469 1.00 0.00 C ATOM 92 O THR A 8 0.693 -5.748 2.637 1.00 0.00 O ATOM 93 CB THR A 8 2.473 -7.716 3.388 1.00 0.00 C ATOM 94 OG1 THR A 8 3.049 -6.500 2.934 1.00 0.00 O ATOM 95 CG2 THR A 8 3.514 -8.835 3.317 1.00 0.00 C ATOM 0 H THR A 8 1.631 -9.386 0.904 1.00 0.00 H new ATOM 0 HA THR A 8 0.767 -8.943 2.918 1.00 0.00 H new ATOM 0 HB THR A 8 2.141 -7.598 4.419 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.407 -6.026 2.365 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.366 -8.580 3.947 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.071 -9.767 3.667 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.848 -8.956 2.287 1.00 0.00 H new ATOM 103 N CYS A 9 -0.975 -7.208 2.251 1.00 0.00 N ATOM 104 CA CYS A 9 -2.002 -6.173 2.197 1.00 0.00 C ATOM 105 C CYS A 9 -2.064 -5.413 3.519 1.00 0.00 C ATOM 106 O CYS A 9 -1.911 -6.000 4.590 1.00 0.00 O ATOM 107 CB CYS A 9 -3.364 -6.804 1.901 1.00 0.00 C ATOM 108 SG CYS A 9 -4.518 -5.522 1.349 1.00 0.00 S ATOM 0 H CYS A 9 -1.320 -8.157 2.110 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.747 -5.473 1.401 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.262 -7.571 1.133 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.750 -7.296 2.794 1.00 0.00 H new ATOM 113 N CYS A 10 -2.291 -4.106 3.437 1.00 0.00 N ATOM 114 CA CYS A 10 -2.373 -3.279 4.636 1.00 0.00 C ATOM 115 C CYS A 10 -3.688 -3.550 5.368 1.00 0.00 C ATOM 116 O CYS A 10 -4.740 -3.685 4.742 1.00 0.00 O ATOM 117 CB CYS A 10 -2.256 -1.773 4.269 1.00 0.00 C ATOM 118 SG CYS A 10 -2.005 -1.581 2.484 1.00 0.00 S ATOM 0 H CYS A 10 -2.421 -3.600 2.561 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.544 -3.535 5.295 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.159 -1.245 4.575 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.424 -1.323 4.811 1.00 0.00 H new ATOM 123 N PHE A 11 -3.624 -3.623 6.696 1.00 0.00 N ATOM 124 CA PHE A 11 -4.822 -3.870 7.492 1.00 0.00 C ATOM 125 C PHE A 11 -5.961 -2.978 7.012 1.00 0.00 C ATOM 126 O PHE A 11 -7.135 -3.328 7.129 1.00 0.00 O ATOM 127 CB PHE A 11 -4.537 -3.590 8.969 1.00 0.00 C ATOM 128 CG PHE A 11 -3.527 -4.588 9.485 1.00 0.00 C ATOM 129 CD1 PHE A 11 -3.959 -5.809 10.015 1.00 0.00 C ATOM 130 CD2 PHE A 11 -2.160 -4.290 9.434 1.00 0.00 C ATOM 131 CE1 PHE A 11 -3.023 -6.735 10.493 1.00 0.00 C ATOM 132 CE2 PHE A 11 -1.224 -5.215 9.913 1.00 0.00 C ATOM 133 CZ PHE A 11 -1.656 -6.437 10.442 1.00 0.00 C ATOM 0 H PHE A 11 -2.766 -3.516 7.237 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.112 -4.914 7.375 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.157 -2.576 9.091 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.459 -3.657 9.547 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.014 -6.037 10.055 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.827 -3.347 9.025 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.356 -7.678 10.901 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.169 -4.986 9.874 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.934 -7.150 10.811 1.00 0.00 H new ATOM 143 N ASN A 12 -5.596 -1.825 6.461 1.00 0.00 N ATOM 144 CA ASN A 12 -6.581 -0.880 5.950 1.00 0.00 C ATOM 145 C ASN A 12 -5.902 0.429 5.554 1.00 0.00 C ATOM 146 O ASN A 12 -4.678 0.547 5.594 1.00 0.00 O ATOM 147 CB ASN A 12 -7.670 -0.617 7.005 1.00 0.00 C ATOM 148 CG ASN A 12 -7.076 -0.724 8.405 1.00 0.00 C ATOM 149 OD1 ASN A 12 -7.580 -1.477 9.238 1.00 0.00 O ATOM 150 ND2 ASN A 12 -6.028 -0.012 8.716 1.00 0.00 N ATOM 0 H ASN A 12 -4.627 -1.523 6.357 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.051 -1.312 5.066 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -8.099 0.374 6.858 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -8.481 -1.336 6.889 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.625 -0.079 9.651 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.612 0.612 8.024 1.00 0.00 H new ATOM 157 N LEU A 13 -6.715 1.402 5.169 1.00 0.00 N ATOM 158 CA LEU A 13 -6.204 2.703 4.755 1.00 0.00 C ATOM 159 C LEU A 13 -5.374 3.338 5.870 1.00 0.00 C ATOM 160 O LEU A 13 -5.688 3.189 7.051 1.00 0.00 O ATOM 161 CB LEU A 13 -7.373 3.629 4.380 1.00 0.00 C ATOM 162 CG LEU A 13 -8.485 2.828 3.687 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.568 3.791 3.196 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.914 2.059 2.488 1.00 0.00 C ATOM 0 H LEU A 13 -7.731 1.317 5.134 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.563 2.561 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.766 4.111 5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.021 4.422 3.720 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.909 2.119 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.360 3.227 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.984 4.334 4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.133 4.498 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.711 1.495 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.484 2.763 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.140 1.372 2.831 1.00 0.00 H new ATOM 176 N ALA A 14 -4.315 4.048 5.485 1.00 0.00 N ATOM 177 CA ALA A 14 -3.452 4.702 6.463 1.00 0.00 C ATOM 178 C ALA A 14 -4.261 5.675 7.314 1.00 0.00 C ATOM 179 O ALA A 14 -5.470 5.509 7.475 1.00 0.00 O ATOM 180 CB ALA A 14 -2.320 5.450 5.751 1.00 0.00 C ATOM 0 H ALA A 14 -4.037 4.184 4.513 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.021 3.939 7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.682 5.934 6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.728 4.745 5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.743 6.204 5.087 1.00 0.00 H new ATOM 186 N ASN A 15 -3.593 6.688 7.857 1.00 0.00 N ATOM 187 CA ASN A 15 -4.275 7.673 8.690 1.00 0.00 C ATOM 188 C ASN A 15 -3.304 8.751 9.164 1.00 0.00 C ATOM 189 O ASN A 15 -3.590 9.473 10.120 1.00 0.00 O ATOM 190 CB ASN A 15 -4.899 6.980 9.905 1.00 0.00 C ATOM 191 CG ASN A 15 -3.912 5.981 10.499 1.00 0.00 C ATOM 192 OD1 ASN A 15 -3.291 5.211 9.766 1.00 0.00 O ATOM 193 ND2 ASN A 15 -3.730 5.946 11.790 1.00 0.00 N ATOM 0 H ASN A 15 -2.593 6.848 7.738 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.055 8.145 8.093 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.175 7.721 10.655 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.815 6.468 9.611 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.072 5.280 12.194 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.246 6.585 12.395 1.00 0.00 H new ATOM 200 N ARG A 16 -2.153 8.855 8.504 1.00 0.00 N ATOM 201 CA ARG A 16 -1.154 9.850 8.890 1.00 0.00 C ATOM 202 C ARG A 16 -0.257 10.218 7.710 1.00 0.00 C ATOM 203 O ARG A 16 0.892 10.612 7.900 1.00 0.00 O ATOM 204 CB ARG A 16 -0.292 9.305 10.032 1.00 0.00 C ATOM 205 CG ARG A 16 -1.132 9.165 11.306 1.00 0.00 C ATOM 206 CD ARG A 16 -0.206 8.976 12.509 1.00 0.00 C ATOM 207 NE ARG A 16 0.567 10.189 12.746 1.00 0.00 N ATOM 208 CZ ARG A 16 1.453 10.257 13.734 1.00 0.00 C ATOM 209 NH1 ARG A 16 1.645 9.225 14.512 1.00 0.00 N ATOM 210 NH2 ARG A 16 2.133 11.353 13.927 1.00 0.00 N ATOM 0 H ARG A 16 -1.890 8.271 7.710 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.680 10.747 9.218 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.124 8.337 9.754 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.550 9.974 10.214 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.751 10.051 11.446 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.808 8.315 11.217 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.793 8.732 13.394 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.466 8.137 12.331 1.00 0.00 H new ATOM 0 HE ARG A 16 0.425 10.999 12.143 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.115 8.367 14.361 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.325 9.278 15.270 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.985 12.159 13.319 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.813 11.404 14.686 1.00 0.00 H new ATOM 224 N LYS A 17 -0.787 10.096 6.498 1.00 0.00 N ATOM 225 CA LYS A 17 -0.015 10.430 5.303 1.00 0.00 C ATOM 226 C LYS A 17 1.299 9.649 5.270 1.00 0.00 C ATOM 227 O LYS A 17 1.733 9.102 6.283 1.00 0.00 O ATOM 228 CB LYS A 17 0.272 11.936 5.278 1.00 0.00 C ATOM 229 CG LYS A 17 1.223 12.270 4.125 1.00 0.00 C ATOM 230 CD LYS A 17 1.194 13.776 3.855 1.00 0.00 C ATOM 231 CE LYS A 17 2.168 14.112 2.724 1.00 0.00 C ATOM 232 NZ LYS A 17 1.809 13.327 1.510 1.00 0.00 N ATOM 0 H LYS A 17 -1.737 9.772 6.316 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.599 10.156 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.660 12.490 5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.713 12.246 6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.236 11.954 4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.930 11.724 3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.185 14.088 3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.466 14.323 4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.132 15.179 2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.189 13.883 3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.428 13.605 0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.930 12.312 1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.818 13.515 1.255 1.00 0.00 H new ATOM 246 N ILE A 18 1.926 9.602 4.091 1.00 0.00 N ATOM 247 CA ILE A 18 3.196 8.887 3.911 1.00 0.00 C ATOM 248 C ILE A 18 4.231 9.840 3.281 1.00 0.00 C ATOM 249 O ILE A 18 3.903 10.543 2.326 1.00 0.00 O ATOM 250 CB ILE A 18 2.948 7.666 2.988 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.382 6.486 3.813 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.232 7.231 2.251 1.00 0.00 C ATOM 253 CD1 ILE A 18 3.507 5.684 4.486 1.00 0.00 C ATOM 0 H ILE A 18 1.575 10.051 3.245 1.00 0.00 H new ATOM 0 HA ILE A 18 3.581 8.541 4.870 1.00 0.00 H new ATOM 0 HB ILE A 18 2.221 7.965 2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.699 6.866 4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.803 5.830 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.014 6.373 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.596 8.055 1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.995 6.958 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.076 4.862 5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.175 5.284 3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.069 6.336 5.155 1.00 0.00 H new ATOM 265 N PRO A 19 5.459 9.891 3.768 1.00 0.00 N ATOM 266 CA PRO A 19 6.496 10.800 3.180 1.00 0.00 C ATOM 267 C PRO A 19 6.783 10.463 1.714 1.00 0.00 C ATOM 268 O PRO A 19 6.874 9.293 1.340 1.00 0.00 O ATOM 269 CB PRO A 19 7.733 10.579 4.073 1.00 0.00 C ATOM 270 CG PRO A 19 7.515 9.243 4.703 1.00 0.00 C ATOM 271 CD PRO A 19 6.013 9.122 4.905 1.00 0.00 C ATOM 0 HA PRO A 19 6.176 11.842 3.165 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.652 10.595 3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.822 11.362 4.826 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.890 8.443 4.064 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.045 9.167 5.652 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.686 8.082 4.886 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.700 9.537 5.863 1.00 0.00 H new ATOM 279 N LEU A 20 6.909 11.500 0.889 1.00 0.00 N ATOM 280 CA LEU A 20 7.167 11.316 -0.538 1.00 0.00 C ATOM 281 C LEU A 20 8.597 10.820 -0.791 1.00 0.00 C ATOM 282 O LEU A 20 8.854 10.131 -1.779 1.00 0.00 O ATOM 283 CB LEU A 20 6.935 12.649 -1.280 1.00 0.00 C ATOM 284 CG LEU A 20 5.464 12.772 -1.698 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.569 12.741 -0.460 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.252 14.089 -2.445 1.00 0.00 C ATOM 0 H LEU A 20 6.837 12.474 1.183 1.00 0.00 H new ATOM 0 HA LEU A 20 6.479 10.558 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.209 13.485 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.576 12.701 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 20 5.207 11.937 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.526 12.829 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.715 11.800 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.827 13.572 0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.207 14.175 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.514 14.923 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.884 14.109 -3.333 1.00 0.00 H new ATOM 298 N GLN A 21 9.523 11.190 0.086 1.00 0.00 N ATOM 299 CA GLN A 21 10.921 10.794 -0.077 1.00 0.00 C ATOM 300 C GLN A 21 11.090 9.271 -0.067 1.00 0.00 C ATOM 301 O GLN A 21 11.876 8.726 -0.841 1.00 0.00 O ATOM 302 CB GLN A 21 11.775 11.416 1.035 1.00 0.00 C ATOM 303 CG GLN A 21 11.052 11.284 2.376 1.00 0.00 C ATOM 304 CD GLN A 21 11.990 11.677 3.513 1.00 0.00 C ATOM 305 OE1 GLN A 21 12.655 10.821 4.095 1.00 0.00 O ATOM 306 NE2 GLN A 21 12.082 12.931 3.866 1.00 0.00 N ATOM 0 H GLN A 21 9.336 11.759 0.912 1.00 0.00 H new ATOM 0 HA GLN A 21 11.254 11.160 -1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.744 10.919 1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.966 12.467 0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.167 11.921 2.386 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.708 10.259 2.514 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.530 13.639 3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.706 13.202 4.626 1.00 0.00 H new ATOM 315 N ARG A 22 10.368 8.592 0.819 1.00 0.00 N ATOM 316 CA ARG A 22 10.473 7.135 0.922 1.00 0.00 C ATOM 317 C ARG A 22 9.590 6.441 -0.113 1.00 0.00 C ATOM 318 O ARG A 22 10.024 5.504 -0.783 1.00 0.00 O ATOM 319 CB ARG A 22 10.065 6.696 2.334 1.00 0.00 C ATOM 320 CG ARG A 22 11.149 7.126 3.358 1.00 0.00 C ATOM 321 CD ARG A 22 10.497 7.611 4.661 1.00 0.00 C ATOM 322 NE ARG A 22 11.444 7.495 5.768 1.00 0.00 N ATOM 323 CZ ARG A 22 11.350 8.271 6.845 1.00 0.00 C ATOM 324 NH1 ARG A 22 10.401 9.162 6.928 1.00 0.00 N ATOM 325 NH2 ARG A 22 12.209 8.141 7.819 1.00 0.00 N ATOM 0 H ARG A 22 9.710 9.019 1.471 1.00 0.00 H new ATOM 0 HA ARG A 22 11.506 6.848 0.727 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.106 7.141 2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.934 5.614 2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.813 6.287 3.567 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.763 7.921 2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.177 8.647 4.553 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.605 7.022 4.872 1.00 0.00 H new ATOM 0 HE ARG A 22 12.193 6.805 5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.730 9.265 6.167 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.330 9.756 7.754 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.952 7.445 7.754 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.138 8.735 8.645 1.00 0.00 H new ATOM 339 N LEU A 23 8.353 6.906 -0.235 1.00 0.00 N ATOM 340 CA LEU A 23 7.408 6.328 -1.189 1.00 0.00 C ATOM 341 C LEU A 23 8.106 6.052 -2.528 1.00 0.00 C ATOM 342 O LEU A 23 8.889 6.870 -3.009 1.00 0.00 O ATOM 343 CB LEU A 23 6.217 7.309 -1.336 1.00 0.00 C ATOM 344 CG LEU A 23 5.489 7.212 -2.700 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.343 7.825 -3.840 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.090 5.747 -3.017 1.00 0.00 C ATOM 0 H LEU A 23 7.979 7.681 0.313 1.00 0.00 H new ATOM 0 HA LEU A 23 7.032 5.369 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.500 7.117 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.579 8.328 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 23 4.572 7.797 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.804 7.741 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.537 8.876 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.289 7.289 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.581 5.709 -3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.985 5.126 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.423 5.375 -2.239 1.00 0.00 H new ATOM 358 N GLU A 24 7.831 4.882 -3.115 1.00 0.00 N ATOM 359 CA GLU A 24 8.446 4.492 -4.393 1.00 0.00 C ATOM 360 C GLU A 24 7.425 4.562 -5.530 1.00 0.00 C ATOM 361 O GLU A 24 7.574 5.352 -6.463 1.00 0.00 O ATOM 362 CB GLU A 24 9.001 3.065 -4.279 1.00 0.00 C ATOM 363 CG GLU A 24 9.453 2.550 -5.654 1.00 0.00 C ATOM 364 CD GLU A 24 10.361 3.571 -6.334 1.00 0.00 C ATOM 365 OE1 GLU A 24 11.151 4.186 -5.638 1.00 0.00 O ATOM 366 OE2 GLU A 24 10.250 3.722 -7.539 1.00 0.00 O ATOM 0 H GLU A 24 7.189 4.189 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 24 9.257 5.185 -4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.841 3.050 -3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.237 2.403 -3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.982 1.604 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.582 2.355 -6.280 1.00 0.00 H new ATOM 373 N SER A 25 6.385 3.728 -5.446 1.00 0.00 N ATOM 374 CA SER A 25 5.341 3.700 -6.473 1.00 0.00 C ATOM 375 C SER A 25 4.006 3.268 -5.869 1.00 0.00 C ATOM 376 O SER A 25 3.939 2.907 -4.693 1.00 0.00 O ATOM 377 CB SER A 25 5.734 2.733 -7.590 1.00 0.00 C ATOM 378 OG SER A 25 4.934 2.990 -8.736 1.00 0.00 O ATOM 0 H SER A 25 6.244 3.067 -4.682 1.00 0.00 H new ATOM 0 HA SER A 25 5.234 4.704 -6.883 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.789 2.852 -7.835 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.597 1.703 -7.260 1.00 0.00 H new ATOM 0 HG SER A 25 5.184 2.373 -9.455 1.00 0.00 H new ATOM 384 N TYR A 26 2.941 3.309 -6.678 1.00 0.00 N ATOM 385 CA TYR A 26 1.603 2.920 -6.212 1.00 0.00 C ATOM 386 C TYR A 26 1.086 1.704 -6.982 1.00 0.00 C ATOM 387 O TYR A 26 1.598 1.367 -8.049 1.00 0.00 O ATOM 388 CB TYR A 26 0.626 4.094 -6.372 1.00 0.00 C ATOM 389 CG TYR A 26 0.303 4.312 -7.831 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.195 5.019 -8.646 1.00 0.00 C ATOM 391 CD2 TYR A 26 -0.888 3.810 -8.367 1.00 0.00 C ATOM 392 CE1 TYR A 26 0.897 5.225 -9.996 1.00 0.00 C ATOM 393 CE2 TYR A 26 -1.188 4.015 -9.718 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.295 4.724 -10.534 1.00 0.00 C ATOM 395 OH TYR A 26 -0.590 4.926 -11.867 1.00 0.00 O ATOM 0 H TYR A 26 2.978 3.606 -7.653 1.00 0.00 H new ATOM 0 HA TYR A 26 1.675 2.653 -5.158 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.290 3.892 -5.816 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.062 4.999 -5.950 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.114 5.406 -8.231 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.576 3.264 -7.738 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.586 5.770 -10.624 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.107 3.627 -10.132 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.453 4.513 -12.077 1.00 0.00 H new ATOM 405 N ARG A 27 0.069 1.049 -6.423 1.00 0.00 N ATOM 406 CA ARG A 27 -0.515 -0.132 -7.054 1.00 0.00 C ATOM 407 C ARG A 27 -1.924 -0.375 -6.503 1.00 0.00 C ATOM 408 O ARG A 27 -2.125 -0.408 -5.288 1.00 0.00 O ATOM 409 CB ARG A 27 0.392 -1.353 -6.787 1.00 0.00 C ATOM 410 CG ARG A 27 0.304 -2.367 -7.939 1.00 0.00 C ATOM 411 CD ARG A 27 -1.091 -2.999 -7.987 1.00 0.00 C ATOM 412 NE ARG A 27 -1.042 -4.270 -8.700 1.00 0.00 N ATOM 413 CZ ARG A 27 -1.039 -4.314 -10.029 1.00 0.00 C ATOM 414 NH1 ARG A 27 -1.080 -3.206 -10.717 1.00 0.00 N ATOM 415 NH2 ARG A 27 -0.993 -5.464 -10.644 1.00 0.00 N ATOM 0 H ARG A 27 -0.365 1.315 -5.539 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.590 0.025 -8.130 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.424 -1.024 -6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.098 -1.832 -5.853 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.519 -1.871 -8.886 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.058 -3.143 -7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.463 -3.156 -6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.788 -2.323 -8.481 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.009 -5.141 -8.170 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.114 -2.308 -10.235 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.078 -3.238 -11.736 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.959 -6.329 -10.105 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.991 -5.497 -11.663 1.00 0.00 H new ATOM 429 N ARG A 28 -2.895 -0.526 -7.399 1.00 0.00 N ATOM 430 CA ARG A 28 -4.282 -0.743 -6.987 1.00 0.00 C ATOM 431 C ARG A 28 -4.494 -2.177 -6.490 1.00 0.00 C ATOM 432 O ARG A 28 -3.788 -3.098 -6.895 1.00 0.00 O ATOM 433 CB ARG A 28 -5.227 -0.436 -8.171 1.00 0.00 C ATOM 434 CG ARG A 28 -6.480 0.303 -7.678 1.00 0.00 C ATOM 435 CD ARG A 28 -7.479 0.446 -8.829 1.00 0.00 C ATOM 436 NE ARG A 28 -6.998 1.426 -9.796 1.00 0.00 N ATOM 437 CZ ARG A 28 -7.014 2.726 -9.523 1.00 0.00 C ATOM 438 NH1 ARG A 28 -7.464 3.146 -8.372 1.00 0.00 N ATOM 439 NH2 ARG A 28 -6.579 3.584 -10.405 1.00 0.00 N ATOM 0 H ARG A 28 -2.751 -0.503 -8.409 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.509 -0.070 -6.160 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.707 0.171 -8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.515 -1.364 -8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.936 -0.244 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.207 1.287 -7.296 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.622 -0.518 -9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.450 0.754 -8.441 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.643 1.108 -10.698 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.803 2.476 -7.682 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.476 4.144 -8.163 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.227 3.257 -11.304 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.592 4.582 -10.195 1.00 0.00 H new ATOM 453 N ILE A 29 -5.485 -2.350 -5.609 1.00 0.00 N ATOM 454 CA ILE A 29 -5.804 -3.674 -5.050 1.00 0.00 C ATOM 455 C ILE A 29 -7.058 -4.236 -5.727 1.00 0.00 C ATOM 456 O ILE A 29 -7.025 -5.316 -6.317 1.00 0.00 O ATOM 457 CB ILE A 29 -6.013 -3.588 -3.502 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.706 -2.158 -3.015 1.00 0.00 C ATOM 459 CG2 ILE A 29 -5.079 -4.584 -2.792 1.00 0.00 C ATOM 460 CD1 ILE A 29 -6.007 -2.009 -1.514 1.00 0.00 C ATOM 0 H ILE A 29 -6.080 -1.595 -5.267 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.966 -4.344 -5.241 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.048 -3.836 -3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.659 -1.923 -3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.301 -1.442 -3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.229 -4.519 -1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.302 -5.596 -3.129 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.043 -4.343 -3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.782 -0.991 -1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.060 -2.221 -1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.393 -2.709 -0.948 1.00 0.00 H new ATOM 472 N THR A 30 -8.157 -3.493 -5.634 1.00 0.00 N ATOM 473 CA THR A 30 -9.413 -3.924 -6.238 1.00 0.00 C ATOM 474 C THR A 30 -9.806 -5.312 -5.741 1.00 0.00 C ATOM 475 O THR A 30 -9.385 -5.739 -4.665 1.00 0.00 O ATOM 476 CB THR A 30 -9.282 -3.946 -7.762 1.00 0.00 C ATOM 477 OG1 THR A 30 -8.498 -5.066 -8.153 1.00 0.00 O ATOM 478 CG2 THR A 30 -8.607 -2.659 -8.237 1.00 0.00 C ATOM 0 H THR A 30 -8.204 -2.596 -5.150 1.00 0.00 H new ATOM 0 HA THR A 30 -10.189 -3.216 -5.949 1.00 0.00 H new ATOM 0 HB THR A 30 -10.273 -4.021 -8.210 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.063 -5.452 -7.364 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.514 -2.676 -9.323 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.209 -1.801 -7.938 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.616 -2.581 -7.790 1.00 0.00 H new ATOM 486 N SER A 31 -10.617 -6.007 -6.530 1.00 0.00 N ATOM 487 CA SER A 31 -11.067 -7.346 -6.164 1.00 0.00 C ATOM 488 C SER A 31 -9.899 -8.188 -5.659 1.00 0.00 C ATOM 489 O SER A 31 -8.777 -8.070 -6.151 1.00 0.00 O ATOM 490 CB SER A 31 -11.705 -8.030 -7.372 1.00 0.00 C ATOM 491 OG SER A 31 -12.266 -9.272 -6.966 1.00 0.00 O ATOM 0 H SER A 31 -10.975 -5.668 -7.423 1.00 0.00 H new ATOM 0 HA SER A 31 -11.804 -7.254 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.478 -7.391 -7.800 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.958 -8.192 -8.149 1.00 0.00 H new ATOM 0 HG SER A 31 -12.678 -9.713 -7.738 1.00 0.00 H new ATOM 497 N GLY A 32 -10.174 -9.038 -4.673 1.00 0.00 N ATOM 498 CA GLY A 32 -9.142 -9.900 -4.102 1.00 0.00 C ATOM 499 C GLY A 32 -9.485 -10.277 -2.666 1.00 0.00 C ATOM 500 O GLY A 32 -9.968 -11.378 -2.400 1.00 0.00 O ATOM 0 H GLY A 32 -11.098 -9.148 -4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.041 -10.802 -4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.180 -9.389 -4.129 1.00 0.00 H new ATOM 504 N LYS A 33 -9.235 -9.354 -1.744 1.00 0.00 N ATOM 505 CA LYS A 33 -9.522 -9.595 -0.335 1.00 0.00 C ATOM 506 C LYS A 33 -9.286 -8.327 0.480 1.00 0.00 C ATOM 507 O LYS A 33 -9.714 -8.225 1.629 1.00 0.00 O ATOM 508 CB LYS A 33 -8.629 -10.719 0.197 1.00 0.00 C ATOM 509 CG LYS A 33 -8.913 -10.937 1.684 1.00 0.00 C ATOM 510 CD LYS A 33 -8.305 -12.269 2.129 1.00 0.00 C ATOM 511 CE LYS A 33 -8.682 -12.541 3.587 1.00 0.00 C ATOM 512 NZ LYS A 33 -8.034 -13.804 4.041 1.00 0.00 N ATOM 0 H LYS A 33 -8.836 -8.437 -1.945 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.568 -9.888 -0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.815 -11.639 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.579 -10.464 0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.492 -10.119 2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.988 -10.938 1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.666 -13.077 1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.221 -12.240 2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.364 -11.710 4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.765 -12.620 3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.290 -13.989 5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.358 -14.594 3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.001 -13.712 3.962 1.00 0.00 H new ATOM 526 N CYS A 34 -8.601 -7.363 -0.127 1.00 0.00 N ATOM 527 CA CYS A 34 -8.311 -6.102 0.545 1.00 0.00 C ATOM 528 C CYS A 34 -9.546 -5.194 0.525 1.00 0.00 C ATOM 529 O CYS A 34 -10.364 -5.296 -0.388 1.00 0.00 O ATOM 530 CB CYS A 34 -7.140 -5.411 -0.159 1.00 0.00 C ATOM 531 SG CYS A 34 -5.667 -6.454 -0.027 1.00 0.00 S ATOM 0 H CYS A 34 -8.238 -7.430 -1.078 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.045 -6.301 1.583 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.383 -5.235 -1.207 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.952 -4.437 0.293 1.00 0.00 H new ATOM 536 N PRO A 35 -9.709 -4.314 1.496 1.00 0.00 N ATOM 537 CA PRO A 35 -10.885 -3.391 1.545 1.00 0.00 C ATOM 538 C PRO A 35 -11.216 -2.782 0.181 1.00 0.00 C ATOM 539 O PRO A 35 -10.517 -3.013 -0.804 1.00 0.00 O ATOM 540 CB PRO A 35 -10.442 -2.306 2.533 1.00 0.00 C ATOM 541 CG PRO A 35 -9.513 -3.001 3.472 1.00 0.00 C ATOM 542 CD PRO A 35 -8.813 -4.100 2.655 1.00 0.00 C ATOM 0 HA PRO A 35 -11.797 -3.910 1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.944 -1.484 2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.295 -1.881 3.062 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.786 -2.303 3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.059 -3.430 4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.818 -3.788 2.337 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.690 -5.013 3.238 1.00 0.00 H new ATOM 550 N GLN A 36 -12.291 -1.997 0.146 1.00 0.00 N ATOM 551 CA GLN A 36 -12.733 -1.340 -1.085 1.00 0.00 C ATOM 552 C GLN A 36 -11.544 -0.909 -1.945 1.00 0.00 C ATOM 553 O GLN A 36 -10.433 -0.735 -1.444 1.00 0.00 O ATOM 554 CB GLN A 36 -13.574 -0.114 -0.729 1.00 0.00 C ATOM 555 CG GLN A 36 -12.875 0.672 0.382 1.00 0.00 C ATOM 556 CD GLN A 36 -13.643 1.955 0.679 1.00 0.00 C ATOM 557 OE1 GLN A 36 -14.282 2.071 1.724 1.00 0.00 O ATOM 558 NE2 GLN A 36 -13.619 2.933 -0.186 1.00 0.00 N ATOM 0 H GLN A 36 -12.875 -1.799 0.959 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.326 -2.052 -1.659 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.708 0.517 -1.608 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.567 -0.422 -0.403 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.808 0.062 1.283 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.855 0.911 0.082 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.089 2.835 -1.052 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.130 3.795 0.004 1.00 0.00 H new ATOM 567 N LYS A 37 -11.791 -0.740 -3.241 1.00 0.00 N ATOM 568 CA LYS A 37 -10.737 -0.330 -4.164 1.00 0.00 C ATOM 569 C LYS A 37 -9.910 0.805 -3.569 1.00 0.00 C ATOM 570 O LYS A 37 -10.446 1.706 -2.926 1.00 0.00 O ATOM 571 CB LYS A 37 -11.354 0.126 -5.488 1.00 0.00 C ATOM 572 CG LYS A 37 -12.455 -0.853 -5.904 1.00 0.00 C ATOM 573 CD LYS A 37 -12.843 -0.598 -7.363 1.00 0.00 C ATOM 574 CE LYS A 37 -13.831 -1.670 -7.823 1.00 0.00 C ATOM 575 NZ LYS A 37 -14.472 -1.241 -9.098 1.00 0.00 N ATOM 0 H LYS A 37 -12.704 -0.879 -3.673 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.083 -1.184 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.766 1.130 -5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.587 0.176 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.108 -1.879 -5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.325 -0.733 -5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.290 0.391 -7.464 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.955 -0.612 -7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.314 -2.619 -7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.591 -1.832 -7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.144 -1.970 -9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.978 -0.345 -8.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.742 -1.108 -9.826 1.00 0.00 H new ATOM 589 N ALA A 38 -8.601 0.753 -3.790 1.00 0.00 N ATOM 590 CA ALA A 38 -7.707 1.781 -3.271 1.00 0.00 C ATOM 591 C ALA A 38 -6.320 1.647 -3.898 1.00 0.00 C ATOM 592 O ALA A 38 -6.007 0.635 -4.519 1.00 0.00 O ATOM 593 CB ALA A 38 -7.614 1.665 -1.744 1.00 0.00 C ATOM 0 H ALA A 38 -8.138 0.015 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.108 2.761 -3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.945 2.435 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.605 1.795 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.226 0.682 -1.477 1.00 0.00 H new ATOM 599 N VAL A 39 -5.488 2.676 -3.726 1.00 0.00 N ATOM 600 CA VAL A 39 -4.128 2.662 -4.274 1.00 0.00 C ATOM 601 C VAL A 39 -3.117 2.449 -3.150 1.00 0.00 C ATOM 602 O VAL A 39 -3.076 3.209 -2.182 1.00 0.00 O ATOM 603 CB VAL A 39 -3.845 3.973 -5.016 1.00 0.00 C ATOM 604 CG1 VAL A 39 -5.011 4.279 -5.961 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.686 5.122 -4.015 1.00 0.00 C ATOM 0 H VAL A 39 -5.729 3.525 -3.215 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.037 1.840 -4.984 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.922 3.870 -5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.815 5.211 -6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.119 3.468 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.931 4.377 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.485 6.048 -4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.603 5.230 -3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.856 4.906 -3.342 1.00 0.00 H new ATOM 615 N ILE A 40 -2.321 1.389 -3.276 1.00 0.00 N ATOM 616 CA ILE A 40 -1.326 1.045 -2.259 1.00 0.00 C ATOM 617 C ILE A 40 0.033 1.669 -2.573 1.00 0.00 C ATOM 618 O ILE A 40 0.679 1.300 -3.553 1.00 0.00 O ATOM 619 CB ILE A 40 -1.194 -0.489 -2.191 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.416 -1.072 -1.480 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.070 -0.905 -1.430 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.462 -2.584 -1.704 1.00 0.00 C ATOM 0 H ILE A 40 -2.345 0.752 -4.072 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.657 1.440 -1.299 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.127 -0.870 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.369 -0.853 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.327 -0.609 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.135 -1.993 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.948 -0.503 -1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.027 -0.515 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.333 -3.001 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.529 -2.792 -2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.557 -3.039 -1.302 1.00 0.00 H new ATOM 634 N PHE A 41 0.476 2.588 -1.715 1.00 0.00 N ATOM 635 CA PHE A 41 1.779 3.225 -1.897 1.00 0.00 C ATOM 636 C PHE A 41 2.860 2.380 -1.232 1.00 0.00 C ATOM 637 O PHE A 41 2.824 2.156 -0.023 1.00 0.00 O ATOM 638 CB PHE A 41 1.784 4.623 -1.277 1.00 0.00 C ATOM 639 CG PHE A 41 0.757 5.492 -1.964 1.00 0.00 C ATOM 640 CD1 PHE A 41 0.947 5.890 -3.294 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.377 5.915 -1.267 1.00 0.00 C ATOM 642 CE1 PHE A 41 0.000 6.706 -3.924 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.318 6.729 -1.893 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.132 7.127 -3.223 1.00 0.00 C ATOM 0 H PHE A 41 -0.042 2.905 -0.896 1.00 0.00 H new ATOM 0 HA PHE A 41 1.977 3.309 -2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.565 4.559 -0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.774 5.069 -1.372 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.825 5.567 -3.834 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.524 5.611 -0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.145 7.009 -4.950 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.194 7.054 -1.351 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.863 7.759 -3.706 1.00 0.00 H new ATOM 654 N LYS A 42 3.820 1.908 -2.025 1.00 0.00 N ATOM 655 CA LYS A 42 4.907 1.083 -1.495 1.00 0.00 C ATOM 656 C LYS A 42 6.149 1.935 -1.251 1.00 0.00 C ATOM 657 O LYS A 42 6.651 2.597 -2.158 1.00 0.00 O ATOM 658 CB LYS A 42 5.232 -0.047 -2.481 1.00 0.00 C ATOM 659 CG LYS A 42 5.190 0.487 -3.915 1.00 0.00 C ATOM 660 CD LYS A 42 5.891 -0.500 -4.852 1.00 0.00 C ATOM 661 CE LYS A 42 5.276 -1.893 -4.688 1.00 0.00 C ATOM 662 NZ LYS A 42 5.669 -2.748 -5.843 1.00 0.00 N ATOM 0 H LYS A 42 3.869 2.080 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 42 4.589 0.650 -0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.218 -0.458 -2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.516 -0.860 -2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.156 0.631 -4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.677 1.461 -3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.793 -0.168 -5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.957 -0.534 -4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.615 -2.344 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.190 -1.818 -4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.252 -3.694 -5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.325 -2.319 -6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.705 -2.829 -5.878 1.00 0.00 H new ATOM 676 N THR A 43 6.641 1.912 -0.012 1.00 0.00 N ATOM 677 CA THR A 43 7.831 2.686 0.361 1.00 0.00 C ATOM 678 C THR A 43 8.993 1.745 0.669 1.00 0.00 C ATOM 679 O THR A 43 8.829 0.525 0.686 1.00 0.00 O ATOM 680 CB THR A 43 7.532 3.555 1.596 1.00 0.00 C ATOM 681 OG1 THR A 43 7.930 2.860 2.766 1.00 0.00 O ATOM 682 CG2 THR A 43 6.036 3.860 1.682 1.00 0.00 C ATOM 0 H THR A 43 6.237 1.368 0.750 1.00 0.00 H new ATOM 0 HA THR A 43 8.103 3.331 -0.474 1.00 0.00 H new ATOM 0 HB THR A 43 8.083 4.491 1.509 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.267 3.003 3.473 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.840 4.475 2.560 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.722 4.396 0.786 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.478 2.927 1.761 1.00 0.00 H new ATOM 690 N LYS A 44 10.168 2.320 0.914 1.00 0.00 N ATOM 691 CA LYS A 44 11.355 1.526 1.224 1.00 0.00 C ATOM 692 C LYS A 44 11.421 1.225 2.719 1.00 0.00 C ATOM 693 O LYS A 44 12.505 1.095 3.288 1.00 0.00 O ATOM 694 CB LYS A 44 12.613 2.284 0.798 1.00 0.00 C ATOM 695 CG LYS A 44 12.494 2.686 -0.674 1.00 0.00 C ATOM 696 CD LYS A 44 13.867 3.106 -1.205 1.00 0.00 C ATOM 697 CE LYS A 44 14.339 4.366 -0.475 1.00 0.00 C ATOM 698 NZ LYS A 44 15.460 4.989 -1.235 1.00 0.00 N ATOM 0 H LYS A 44 10.324 3.328 0.904 1.00 0.00 H new ATOM 0 HA LYS A 44 11.295 0.585 0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.744 3.171 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.494 1.659 0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.106 1.852 -1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.785 3.507 -0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.586 2.299 -1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.811 3.295 -2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.515 5.073 -0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.665 4.114 0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.781 5.845 -0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.248 4.314 -1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.134 5.243 -2.189 1.00 0.00 H new ATOM 712 N LEU A 45 10.255 1.120 3.349 1.00 0.00 N ATOM 713 CA LEU A 45 10.186 0.838 4.782 1.00 0.00 C ATOM 714 C LEU A 45 10.333 -0.667 5.025 1.00 0.00 C ATOM 715 O LEU A 45 11.445 -1.172 5.175 1.00 0.00 O ATOM 716 CB LEU A 45 8.835 1.346 5.346 1.00 0.00 C ATOM 717 CG LEU A 45 8.958 2.770 5.941 1.00 0.00 C ATOM 718 CD1 LEU A 45 9.528 2.697 7.364 1.00 0.00 C ATOM 719 CD2 LEU A 45 9.857 3.672 5.065 1.00 0.00 C ATOM 0 H LEU A 45 9.348 1.225 2.894 1.00 0.00 H new ATOM 0 HA LEU A 45 10.999 1.354 5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.088 1.347 4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.482 0.660 6.116 1.00 0.00 H new ATOM 0 HG LEU A 45 7.960 3.208 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.611 3.703 7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.864 2.102 7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.514 2.233 7.338 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.922 4.664 5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.855 3.238 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.429 3.751 4.066 1.00 0.00 H new ATOM 731 N ALA A 46 9.207 -1.372 5.069 1.00 0.00 N ATOM 732 CA ALA A 46 9.234 -2.812 5.300 1.00 0.00 C ATOM 733 C ALA A 46 7.837 -3.410 5.170 1.00 0.00 C ATOM 734 O ALA A 46 7.598 -4.545 5.582 1.00 0.00 O ATOM 735 CB ALA A 46 9.779 -3.100 6.701 1.00 0.00 C ATOM 0 H ALA A 46 8.275 -0.976 4.949 1.00 0.00 H new ATOM 0 HA ALA A 46 9.880 -3.267 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.798 -4.177 6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.790 -2.702 6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.138 -2.627 7.445 1.00 0.00 H new ATOM 741 N LYS A 47 6.917 -2.641 4.599 1.00 0.00 N ATOM 742 CA LYS A 47 5.548 -3.111 4.426 1.00 0.00 C ATOM 743 C LYS A 47 4.795 -2.224 3.435 1.00 0.00 C ATOM 744 O LYS A 47 5.337 -1.243 2.926 1.00 0.00 O ATOM 745 CB LYS A 47 4.825 -3.123 5.785 1.00 0.00 C ATOM 746 CG LYS A 47 5.314 -1.953 6.643 1.00 0.00 C ATOM 747 CD LYS A 47 5.118 -0.636 5.887 1.00 0.00 C ATOM 748 CE LYS A 47 5.254 0.534 6.862 1.00 0.00 C ATOM 749 NZ LYS A 47 5.118 1.819 6.120 1.00 0.00 N ATOM 0 H LYS A 47 7.092 -1.698 4.251 1.00 0.00 H new ATOM 0 HA LYS A 47 5.574 -4.125 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.748 -3.050 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.012 -4.066 6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.766 -1.927 7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.367 -2.087 6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.857 -0.548 5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.136 -0.618 5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.490 0.466 7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.221 0.492 7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.741 2.550 6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.050 2.115 5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.468 1.690 5.319 1.00 0.00 H new ATOM 763 N ASP A 48 3.542 -2.585 3.160 1.00 0.00 N ATOM 764 CA ASP A 48 2.707 -1.831 2.221 1.00 0.00 C ATOM 765 C ASP A 48 1.671 -0.993 2.968 1.00 0.00 C ATOM 766 O ASP A 48 1.230 -1.357 4.058 1.00 0.00 O ATOM 767 CB ASP A 48 1.990 -2.798 1.279 1.00 0.00 C ATOM 768 CG ASP A 48 2.986 -3.402 0.295 1.00 0.00 C ATOM 769 OD1 ASP A 48 3.842 -4.153 0.734 1.00 0.00 O ATOM 770 OD2 ASP A 48 2.878 -3.105 -0.884 1.00 0.00 O ATOM 0 H ASP A 48 3.081 -3.395 3.574 1.00 0.00 H new ATOM 0 HA ASP A 48 3.351 -1.164 1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.509 -3.589 1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.203 -2.274 0.737 1.00 0.00 H new ATOM 775 N ILE A 49 1.287 0.133 2.365 1.00 0.00 N ATOM 776 CA ILE A 49 0.297 1.037 2.963 1.00 0.00 C ATOM 777 C ILE A 49 -0.882 1.215 2.009 1.00 0.00 C ATOM 778 O ILE A 49 -0.691 1.393 0.810 1.00 0.00 O ATOM 779 CB ILE A 49 0.938 2.403 3.236 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.204 2.237 4.113 1.00 0.00 C ATOM 781 CG2 ILE A 49 -0.078 3.317 3.931 1.00 0.00 C ATOM 782 CD1 ILE A 49 1.843 2.144 5.604 1.00 0.00 C ATOM 0 H ILE A 49 1.646 0.443 1.462 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.055 0.607 3.901 1.00 0.00 H new ATOM 0 HB ILE A 49 1.234 2.855 2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.743 1.339 3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.874 3.081 3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.379 4.288 4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.949 3.447 3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.387 2.867 4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.753 2.028 6.192 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.326 3.053 5.911 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.193 1.284 5.768 1.00 0.00 H new ATOM 794 N CYS A 50 -2.101 1.161 2.548 1.00 0.00 N ATOM 795 CA CYS A 50 -3.311 1.309 1.729 1.00 0.00 C ATOM 796 C CYS A 50 -3.874 2.723 1.849 1.00 0.00 C ATOM 797 O CYS A 50 -3.642 3.411 2.842 1.00 0.00 O ATOM 798 CB CYS A 50 -4.372 0.308 2.189 1.00 0.00 C ATOM 799 SG CYS A 50 -3.872 -1.375 1.733 1.00 0.00 S ATOM 0 H CYS A 50 -2.279 1.017 3.542 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.046 1.119 0.689 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.506 0.377 3.269 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.333 0.548 1.733 1.00 0.00 H new ATOM 804 N ALA A 51 -4.617 3.148 0.828 1.00 0.00 N ATOM 805 CA ALA A 51 -5.212 4.483 0.829 1.00 0.00 C ATOM 806 C ALA A 51 -6.154 4.652 -0.367 1.00 0.00 C ATOM 807 O ALA A 51 -5.807 4.299 -1.491 1.00 0.00 O ATOM 808 CB ALA A 51 -4.103 5.548 0.788 1.00 0.00 C ATOM 0 H ALA A 51 -4.820 2.593 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.792 4.608 1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.552 6.541 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.461 5.439 1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.508 5.420 -0.116 1.00 0.00 H new ATOM 814 N ASP A 52 -7.351 5.183 -0.116 1.00 0.00 N ATOM 815 CA ASP A 52 -8.340 5.377 -1.182 1.00 0.00 C ATOM 816 C ASP A 52 -8.127 6.719 -1.904 1.00 0.00 C ATOM 817 O ASP A 52 -7.704 7.696 -1.286 1.00 0.00 O ATOM 818 CB ASP A 52 -9.749 5.345 -0.580 1.00 0.00 C ATOM 819 CG ASP A 52 -10.153 3.910 -0.258 1.00 0.00 C ATOM 820 OD1 ASP A 52 -9.456 3.282 0.517 1.00 0.00 O ATOM 821 OD2 ASP A 52 -11.154 3.463 -0.795 1.00 0.00 O ATOM 0 H ASP A 52 -7.660 5.485 0.808 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.221 4.573 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.779 5.951 0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.461 5.782 -1.280 1.00 0.00 H new ATOM 826 N PRO A 53 -8.424 6.789 -3.189 1.00 0.00 N ATOM 827 CA PRO A 53 -8.266 8.045 -3.991 1.00 0.00 C ATOM 828 C PRO A 53 -9.273 9.122 -3.590 1.00 0.00 C ATOM 829 O PRO A 53 -10.085 9.569 -4.401 1.00 0.00 O ATOM 830 CB PRO A 53 -8.477 7.577 -5.442 1.00 0.00 C ATOM 831 CG PRO A 53 -9.343 6.367 -5.328 1.00 0.00 C ATOM 832 CD PRO A 53 -8.939 5.685 -4.021 1.00 0.00 C ATOM 0 HA PRO A 53 -7.295 8.516 -3.835 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.955 8.351 -6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.528 7.341 -5.924 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.398 6.641 -5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.197 5.700 -6.178 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.788 5.192 -3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.179 4.922 -4.187 1.00 0.00 H new ATOM 840 N LYS A 54 -9.200 9.543 -2.331 1.00 0.00 N ATOM 841 CA LYS A 54 -10.089 10.583 -1.811 1.00 0.00 C ATOM 842 C LYS A 54 -9.286 11.556 -0.962 1.00 0.00 C ATOM 843 O LYS A 54 -9.357 12.770 -1.150 1.00 0.00 O ATOM 844 CB LYS A 54 -11.196 9.960 -0.953 1.00 0.00 C ATOM 845 CG LYS A 54 -12.026 8.969 -1.782 1.00 0.00 C ATOM 846 CD LYS A 54 -12.886 9.718 -2.812 1.00 0.00 C ATOM 847 CE LYS A 54 -14.025 8.811 -3.287 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.773 9.489 -4.385 1.00 0.00 N ATOM 0 H LYS A 54 -8.534 9.181 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.544 11.108 -2.651 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.756 9.448 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.843 10.744 -0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.364 8.269 -2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.666 8.381 -1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.292 10.627 -2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.273 10.023 -3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.625 7.860 -3.638 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.697 8.588 -2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.547 8.874 -4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.166 10.386 -4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.128 9.680 -5.178 1.00 0.00 H new ATOM 862 N LYS A 55 -8.510 11.010 -0.034 1.00 0.00 N ATOM 863 CA LYS A 55 -7.680 11.833 0.835 1.00 0.00 C ATOM 864 C LYS A 55 -6.658 12.589 -0.021 1.00 0.00 C ATOM 865 O LYS A 55 -6.195 12.083 -1.042 1.00 0.00 O ATOM 866 CB LYS A 55 -6.986 10.957 1.914 1.00 0.00 C ATOM 867 CG LYS A 55 -7.466 9.499 1.789 1.00 0.00 C ATOM 868 CD LYS A 55 -6.869 8.638 2.918 1.00 0.00 C ATOM 869 CE LYS A 55 -7.749 8.721 4.170 1.00 0.00 C ATOM 870 NZ LYS A 55 -9.132 8.275 3.838 1.00 0.00 N ATOM 0 H LYS A 55 -8.438 10.007 0.135 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.301 12.559 1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.904 11.005 1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.213 11.341 2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.555 9.463 1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.172 9.095 0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.787 7.602 2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.860 8.979 3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.334 8.096 4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.766 9.743 4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.583 7.880 4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.686 9.087 3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.093 7.547 3.097 1.00 0.00 H new ATOM 884 N LYS A 56 -6.349 13.814 0.381 1.00 0.00 N ATOM 885 CA LYS A 56 -5.425 14.659 -0.373 1.00 0.00 C ATOM 886 C LYS A 56 -4.081 13.983 -0.657 1.00 0.00 C ATOM 887 O LYS A 56 -3.664 13.898 -1.812 1.00 0.00 O ATOM 888 CB LYS A 56 -5.188 15.968 0.396 1.00 0.00 C ATOM 889 CG LYS A 56 -4.336 16.955 -0.448 1.00 0.00 C ATOM 890 CD LYS A 56 -2.864 16.914 -0.007 1.00 0.00 C ATOM 891 CE LYS A 56 -2.076 17.983 -0.768 1.00 0.00 C ATOM 892 NZ LYS A 56 -0.636 17.900 -0.392 1.00 0.00 N ATOM 0 H LYS A 56 -6.723 14.248 1.225 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.890 14.854 -1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.145 16.427 0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.681 15.756 1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.412 16.698 -1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.726 17.967 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.789 17.087 1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.442 15.928 -0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.191 17.839 -1.842 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.467 18.973 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.100 18.626 -0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.535 18.057 0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.267 16.959 -0.636 1.00 0.00 H new ATOM 906 N TRP A 57 -3.381 13.546 0.386 1.00 0.00 N ATOM 907 CA TRP A 57 -2.065 12.937 0.192 1.00 0.00 C ATOM 908 C TRP A 57 -2.109 11.749 -0.766 1.00 0.00 C ATOM 909 O TRP A 57 -1.086 11.388 -1.350 1.00 0.00 O ATOM 910 CB TRP A 57 -1.451 12.518 1.534 1.00 0.00 C ATOM 911 CG TRP A 57 -2.088 11.265 2.050 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.220 11.219 2.788 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.640 9.883 1.899 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.496 9.901 3.102 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.553 9.041 2.576 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.543 9.284 1.248 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.385 7.656 2.608 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.372 7.891 1.277 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.290 7.079 1.957 1.00 0.00 C ATOM 0 H TRP A 57 -3.693 13.599 1.356 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.432 13.698 -0.264 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.379 12.362 1.414 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.577 13.320 2.261 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.812 12.072 3.084 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.299 9.601 3.655 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.171 9.901 0.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.096 7.034 3.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.471 7.443 0.773 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.152 6.008 1.978 1.00 0.00 H new ATOM 930 N VAL A 58 -3.279 11.147 -0.945 1.00 0.00 N ATOM 931 CA VAL A 58 -3.381 10.014 -1.858 1.00 0.00 C ATOM 932 C VAL A 58 -3.326 10.502 -3.298 1.00 0.00 C ATOM 933 O VAL A 58 -2.500 10.044 -4.082 1.00 0.00 O ATOM 934 CB VAL A 58 -4.691 9.252 -1.632 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.839 8.145 -2.685 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.683 8.628 -0.236 1.00 0.00 C ATOM 0 H VAL A 58 -4.149 11.414 -0.484 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.544 9.343 -1.665 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.528 9.945 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.772 7.607 -2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.848 8.589 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.002 7.452 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.615 8.086 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.843 7.939 -0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.586 9.414 0.513 1.00 0.00 H new ATOM 946 N GLN A 59 -4.212 11.431 -3.635 1.00 0.00 N ATOM 947 CA GLN A 59 -4.259 11.970 -4.988 1.00 0.00 C ATOM 948 C GLN A 59 -2.969 12.722 -5.312 1.00 0.00 C ATOM 949 O GLN A 59 -2.516 12.735 -6.457 1.00 0.00 O ATOM 950 CB GLN A 59 -5.475 12.904 -5.142 1.00 0.00 C ATOM 951 CG GLN A 59 -6.631 12.424 -4.243 1.00 0.00 C ATOM 952 CD GLN A 59 -7.970 12.907 -4.795 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.538 12.278 -5.687 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.509 13.995 -4.315 1.00 0.00 N ATOM 0 H GLN A 59 -4.903 11.824 -2.996 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.358 11.142 -5.689 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.196 13.923 -4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.798 12.924 -6.183 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.626 11.336 -4.184 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.492 12.799 -3.229 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.036 14.515 -3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.403 14.325 -4.679 1.00 0.00 H new ATOM 963 N ASP A 60 -2.391 13.357 -4.298 1.00 0.00 N ATOM 964 CA ASP A 60 -1.162 14.120 -4.484 1.00 0.00 C ATOM 965 C ASP A 60 0.054 13.201 -4.594 1.00 0.00 C ATOM 966 O ASP A 60 1.054 13.558 -5.215 1.00 0.00 O ATOM 967 CB ASP A 60 -0.968 15.078 -3.304 1.00 0.00 C ATOM 968 CG ASP A 60 0.038 16.165 -3.669 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.251 16.934 -4.572 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.084 16.212 -3.042 1.00 0.00 O ATOM 0 H ASP A 60 -2.751 13.359 -3.344 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.252 14.682 -5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.922 15.531 -3.033 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.618 14.526 -2.432 1.00 0.00 H new ATOM 975 N SER A 61 -0.029 12.025 -3.977 1.00 0.00 N ATOM 976 CA SER A 61 1.087 11.082 -4.007 1.00 0.00 C ATOM 977 C SER A 61 1.296 10.505 -5.408 1.00 0.00 C ATOM 978 O SER A 61 2.411 10.528 -5.930 1.00 0.00 O ATOM 979 CB SER A 61 0.836 9.941 -3.016 1.00 0.00 C ATOM 980 OG SER A 61 1.533 8.781 -3.448 1.00 0.00 O ATOM 0 H SER A 61 -0.846 11.705 -3.457 1.00 0.00 H new ATOM 0 HA SER A 61 1.988 11.625 -3.724 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.170 10.230 -2.019 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.232 9.733 -2.947 1.00 0.00 H new ATOM 0 HG SER A 61 1.030 7.981 -3.188 1.00 0.00 H new ATOM 986 N MET A 62 0.232 9.985 -6.013 1.00 0.00 N ATOM 987 CA MET A 62 0.345 9.407 -7.351 1.00 0.00 C ATOM 988 C MET A 62 0.622 10.497 -8.383 1.00 0.00 C ATOM 989 O MET A 62 1.383 10.290 -9.328 1.00 0.00 O ATOM 990 CB MET A 62 -0.938 8.651 -7.722 1.00 0.00 C ATOM 991 CG MET A 62 -2.166 9.468 -7.316 1.00 0.00 C ATOM 992 SD MET A 62 -3.602 8.918 -8.273 1.00 0.00 S ATOM 993 CE MET A 62 -4.236 7.721 -7.072 1.00 0.00 C ATOM 0 H MET A 62 -0.704 9.951 -5.608 1.00 0.00 H new ATOM 0 HA MET A 62 1.178 8.704 -7.348 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.958 8.458 -8.795 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.955 7.682 -7.223 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.359 9.349 -6.250 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.984 10.528 -7.490 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.086 7.190 -7.501 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.451 7.007 -6.821 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.553 8.244 -6.170 1.00 0.00 H new ATOM 1003 N LYS A 63 0.005 11.659 -8.193 1.00 0.00 N ATOM 1004 CA LYS A 63 0.201 12.773 -9.113 1.00 0.00 C ATOM 1005 C LYS A 63 1.679 13.144 -9.164 1.00 0.00 C ATOM 1006 O LYS A 63 2.241 13.370 -10.236 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.628 13.978 -8.651 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.306 15.217 -9.501 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.462 14.890 -10.993 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.632 16.185 -11.792 1.00 0.00 C ATOM 1011 NZ LYS A 63 -1.893 16.862 -11.378 1.00 0.00 N ATOM 0 H LYS A 63 -0.629 11.853 -7.418 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.126 12.479 -10.110 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.690 13.745 -8.726 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.421 14.187 -7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.971 16.037 -9.229 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.711 15.552 -9.299 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.412 14.344 -11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.325 14.242 -11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.220 16.844 -11.623 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.658 15.966 -12.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.456 17.092 -12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.439 16.230 -10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.665 17.737 -10.865 1.00 0.00 H new ATOM 1025 N TYR A 64 2.302 13.194 -7.993 1.00 0.00 N ATOM 1026 CA TYR A 64 3.716 13.527 -7.896 1.00 0.00 C ATOM 1027 C TYR A 64 4.546 12.455 -8.611 1.00 0.00 C ATOM 1028 O TYR A 64 5.585 12.754 -9.201 1.00 0.00 O ATOM 1029 CB TYR A 64 4.095 13.663 -6.396 1.00 0.00 C ATOM 1030 CG TYR A 64 5.411 12.975 -6.072 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.578 13.337 -6.756 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.459 11.982 -5.083 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.791 12.707 -6.452 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.673 11.353 -4.780 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.838 11.716 -5.464 1.00 0.00 C ATOM 1036 OH TYR A 64 9.035 11.096 -5.164 1.00 0.00 O ATOM 0 H TYR A 64 1.850 13.008 -7.098 1.00 0.00 H new ATOM 0 HA TYR A 64 3.926 14.478 -8.386 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.165 14.719 -6.135 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.302 13.235 -5.782 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.543 14.102 -7.518 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.559 11.702 -4.555 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.691 12.986 -6.980 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.710 10.588 -4.019 1.00 0.00 H new ATOM 0 HH TYR A 64 8.892 10.434 -4.455 1.00 0.00 H new ATOM 1046 N LEU A 65 4.077 11.214 -8.556 1.00 0.00 N ATOM 1047 CA LEU A 65 4.779 10.113 -9.206 1.00 0.00 C ATOM 1048 C LEU A 65 4.582 10.179 -10.718 1.00 0.00 C ATOM 1049 O LEU A 65 5.346 9.589 -11.482 1.00 0.00 O ATOM 1050 CB LEU A 65 4.264 8.766 -8.664 1.00 0.00 C ATOM 1051 CG LEU A 65 4.933 8.450 -7.304 1.00 0.00 C ATOM 1052 CD1 LEU A 65 4.011 7.557 -6.453 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.276 7.732 -7.542 1.00 0.00 C ATOM 0 H LEU A 65 3.220 10.946 -8.072 1.00 0.00 H new ATOM 0 HA LEU A 65 5.844 10.199 -8.988 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.181 8.803 -8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.480 7.971 -9.378 1.00 0.00 H new ATOM 0 HG LEU A 65 5.110 9.384 -6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.492 7.342 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.068 8.073 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.820 6.623 -6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.745 7.511 -6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.101 6.802 -8.083 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.933 8.375 -8.128 1.00 0.00 H new ATOM 1065 N ASP A 66 3.550 10.897 -11.138 1.00 0.00 N ATOM 1066 CA ASP A 66 3.253 11.034 -12.558 1.00 0.00 C ATOM 1067 C ASP A 66 4.340 11.842 -13.264 1.00 0.00 C ATOM 1068 O ASP A 66 4.644 11.601 -14.432 1.00 0.00 O ATOM 1069 CB ASP A 66 1.898 11.723 -12.728 1.00 0.00 C ATOM 1070 CG ASP A 66 1.338 11.454 -14.122 1.00 0.00 C ATOM 1071 OD1 ASP A 66 1.023 10.309 -14.402 1.00 0.00 O ATOM 1072 OD2 ASP A 66 1.231 12.397 -14.889 1.00 0.00 O ATOM 0 H ASP A 66 2.907 11.392 -10.520 1.00 0.00 H new ATOM 0 HA ASP A 66 3.220 10.042 -13.008 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.201 11.361 -11.973 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.006 12.796 -12.573 1.00 0.00 H new ATOM 1077 N GLN A 67 4.917 12.803 -12.550 1.00 0.00 N ATOM 1078 CA GLN A 67 5.966 13.640 -13.123 1.00 0.00 C ATOM 1079 C GLN A 67 7.201 12.806 -13.453 1.00 0.00 C ATOM 1080 O GLN A 67 7.691 12.826 -14.582 1.00 0.00 O ATOM 1081 CB GLN A 67 6.345 14.749 -12.140 1.00 0.00 C ATOM 1082 CG GLN A 67 5.095 15.544 -11.761 1.00 0.00 C ATOM 1083 CD GLN A 67 5.450 16.614 -10.734 1.00 0.00 C ATOM 1084 OE1 GLN A 67 6.337 17.434 -10.972 1.00 0.00 O ATOM 1085 NE2 GLN A 67 4.806 16.656 -9.600 1.00 0.00 N ATOM 0 H GLN A 67 4.679 13.021 -11.582 1.00 0.00 H new ATOM 0 HA GLN A 67 5.586 14.084 -14.043 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.800 14.319 -11.248 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.087 15.410 -12.589 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.666 16.008 -12.649 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.337 14.874 -11.354 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.072 15.976 -9.405 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.037 17.369 -8.908 1.00 0.00 H new ATOM 1094 N LYS A 68 7.698 12.076 -12.460 1.00 0.00 N ATOM 1095 CA LYS A 68 8.879 11.238 -12.655 1.00 0.00 C ATOM 1096 C LYS A 68 8.504 9.935 -13.357 1.00 0.00 C ATOM 1097 O LYS A 68 9.332 9.323 -14.029 1.00 0.00 O ATOM 1098 CB LYS A 68 9.536 10.933 -11.305 1.00 0.00 C ATOM 1099 CG LYS A 68 8.525 10.252 -10.373 1.00 0.00 C ATOM 1100 CD LYS A 68 9.002 10.343 -8.919 1.00 0.00 C ATOM 1101 CE LYS A 68 10.228 9.449 -8.722 1.00 0.00 C ATOM 1102 NZ LYS A 68 10.557 9.373 -7.271 1.00 0.00 N ATOM 0 H LYS A 68 7.306 12.046 -11.519 1.00 0.00 H new ATOM 0 HA LYS A 68 9.586 11.780 -13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.402 10.287 -11.450 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.898 11.855 -10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.549 10.727 -10.474 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.402 9.207 -10.659 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.249 11.375 -8.671 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.203 10.035 -8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.031 8.451 -9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.076 9.848 -9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.551 9.641 -7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.942 10.023 -6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.407 8.401 -6.932 1.00 0.00 H new ATOM 1116 N SER A 69 7.249 9.521 -13.203 1.00 0.00 N ATOM 1117 CA SER A 69 6.777 8.294 -13.836 1.00 0.00 C ATOM 1118 C SER A 69 7.791 7.161 -13.653 1.00 0.00 C ATOM 1119 O SER A 69 8.626 6.927 -14.524 1.00 0.00 O ATOM 1120 CB SER A 69 6.561 8.537 -15.330 1.00 0.00 C ATOM 1121 OG SER A 69 5.778 9.710 -15.505 1.00 0.00 O ATOM 0 H SER A 69 6.546 10.012 -12.650 1.00 0.00 H new ATOM 0 HA SER A 69 5.838 8.005 -13.365 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.521 8.647 -15.835 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.060 7.680 -15.781 1.00 0.00 H new ATOM 0 HG SER A 69 5.422 9.998 -14.639 1.00 0.00 H new ATOM 1127 N PRO A 70 7.737 6.461 -12.545 1.00 0.00 N ATOM 1128 CA PRO A 70 8.677 5.332 -12.260 1.00 0.00 C ATOM 1129 C PRO A 70 8.692 4.297 -13.389 1.00 0.00 C ATOM 1130 O PRO A 70 8.097 3.225 -13.279 1.00 0.00 O ATOM 1131 CB PRO A 70 8.140 4.733 -10.946 1.00 0.00 C ATOM 1132 CG PRO A 70 7.387 5.849 -10.298 1.00 0.00 C ATOM 1133 CD PRO A 70 6.784 6.663 -11.441 1.00 0.00 C ATOM 0 HA PRO A 70 9.712 5.664 -12.180 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.492 3.877 -11.137 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.953 4.382 -10.310 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.609 5.465 -9.639 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.048 6.463 -9.687 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.786 6.311 -11.702 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.691 7.717 -11.178 1.00 0.00 H new ATOM 1141 N THR A 71 9.378 4.630 -14.479 1.00 0.00 N ATOM 1142 CA THR A 71 9.466 3.730 -15.626 1.00 0.00 C ATOM 1143 C THR A 71 10.599 2.718 -15.423 1.00 0.00 C ATOM 1144 O THR A 71 11.578 3.017 -14.740 1.00 0.00 O ATOM 1145 CB THR A 71 9.724 4.546 -16.897 1.00 0.00 C ATOM 1146 OG1 THR A 71 10.748 5.497 -16.643 1.00 0.00 O ATOM 1147 CG2 THR A 71 8.443 5.274 -17.310 1.00 0.00 C ATOM 0 H THR A 71 9.879 5.511 -14.593 1.00 0.00 H new ATOM 0 HA THR A 71 8.525 3.188 -15.724 1.00 0.00 H new ATOM 0 HB THR A 71 10.034 3.879 -17.701 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.346 6.336 -16.336 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.629 5.854 -18.214 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.656 4.545 -17.502 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.130 5.943 -16.508 1.00 0.00 H new ATOM 1155 N PRO A 72 10.498 1.537 -15.993 1.00 0.00 N ATOM 1156 CA PRO A 72 11.552 0.494 -15.854 1.00 0.00 C ATOM 1157 C PRO A 72 12.964 1.080 -15.853 1.00 0.00 C ATOM 1158 O PRO A 72 13.829 0.636 -15.098 1.00 0.00 O ATOM 1159 CB PRO A 72 11.321 -0.391 -17.079 1.00 0.00 C ATOM 1160 CG PRO A 72 9.844 -0.326 -17.324 1.00 0.00 C ATOM 1161 CD PRO A 72 9.378 1.055 -16.828 1.00 0.00 C ATOM 0 HA PRO A 72 11.483 -0.041 -14.907 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.881 -0.028 -17.941 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.647 -1.415 -16.895 1.00 0.00 H new ATOM 0 HG2 PRO A 72 9.621 -0.453 -18.383 1.00 0.00 H new ATOM 0 HG3 PRO A 72 9.327 -1.124 -16.791 1.00 0.00 H new ATOM 0 HD2 PRO A 72 9.182 1.731 -17.660 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.455 0.981 -16.253 1.00 0.00 H new ATOM 1169 N LYS A 73 13.193 2.073 -16.708 1.00 0.00 N ATOM 1170 CA LYS A 73 14.509 2.700 -16.798 1.00 0.00 C ATOM 1171 C LYS A 73 14.456 3.952 -17.680 1.00 0.00 C ATOM 1172 O LYS A 73 14.668 3.865 -18.890 1.00 0.00 O ATOM 1173 CB LYS A 73 15.508 1.708 -17.395 1.00 0.00 C ATOM 1174 CG LYS A 73 16.924 2.277 -17.283 1.00 0.00 C ATOM 1175 CD LYS A 73 17.937 1.221 -17.727 1.00 0.00 C ATOM 1176 CE LYS A 73 19.308 1.873 -17.916 1.00 0.00 C ATOM 1177 NZ LYS A 73 19.307 2.676 -19.171 1.00 0.00 N ATOM 0 H LYS A 73 12.493 2.458 -17.342 1.00 0.00 H new ATOM 0 HA LYS A 73 14.822 2.989 -15.795 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.446 0.754 -16.871 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.264 1.515 -18.440 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.018 3.169 -17.902 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.125 2.579 -16.255 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.000 0.427 -16.983 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.611 0.759 -18.659 1.00 0.00 H new ATOM 0 HE2 LYS A 73 19.540 2.511 -17.063 1.00 0.00 H new ATOM 0 HE3 LYS A 73 20.083 1.108 -17.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.287 2.836 -19.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.788 2.162 -19.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.846 3.592 -18.997 1.00 0.00 H new ATOM 1191 N PRO A 74 14.180 5.105 -17.115 1.00 0.00 N ATOM 1192 CA PRO A 74 14.106 6.377 -17.895 1.00 0.00 C ATOM 1193 C PRO A 74 15.297 6.544 -18.839 1.00 0.00 C ATOM 1194 O PRO A 74 16.263 5.819 -18.674 1.00 0.00 O ATOM 1195 CB PRO A 74 14.093 7.463 -16.811 1.00 0.00 C ATOM 1196 CG PRO A 74 13.475 6.802 -15.620 1.00 0.00 C ATOM 1197 CD PRO A 74 13.908 5.333 -15.682 1.00 0.00 C ATOM 1198 OXT PRO A 74 15.223 7.395 -19.710 1.00 0.00 O ATOM 0 HA PRO A 74 13.232 6.414 -18.546 1.00 0.00 H new ATOM 0 HB2 PRO A 74 15.101 7.815 -16.590 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.515 8.331 -17.127 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.812 7.270 -14.695 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.389 6.890 -15.644 1.00 0.00 H new ATOM 0 HD2 PRO A 74 14.794 5.151 -15.073 1.00 0.00 H new ATOM 0 HD3 PRO A 74 13.126 4.670 -15.313 1.00 0.00 H new TER 1206 PRO A 74 ATOM 1207 N VAL B 208 -12.579 12.729 3.324 1.00 0.00 N ATOM 1208 CA VAL B 208 -11.232 13.327 3.546 1.00 0.00 C ATOM 1209 C VAL B 208 -11.032 13.585 5.035 1.00 0.00 C ATOM 1210 O VAL B 208 -9.936 13.399 5.564 1.00 0.00 O ATOM 1211 CB VAL B 208 -11.128 14.642 2.770 1.00 0.00 C ATOM 1212 CG1 VAL B 208 -11.366 14.378 1.282 1.00 0.00 C ATOM 1213 CG2 VAL B 208 -12.183 15.623 3.287 1.00 0.00 C ATOM 0 HA VAL B 208 -10.461 12.641 3.195 1.00 0.00 H new ATOM 0 HB VAL B 208 -10.134 15.068 2.909 1.00 0.00 H new ATOM 0 HG11 VAL B 208 -11.292 15.315 0.730 1.00 0.00 H new ATOM 0 HG12 VAL B 208 -10.616 13.678 0.912 1.00 0.00 H new ATOM 0 HG13 VAL B 208 -12.360 13.952 1.142 1.00 0.00 H new ATOM 0 HG21 VAL B 208 -12.110 16.560 2.735 1.00 0.00 H new ATOM 0 HG22 VAL B 208 -13.176 15.196 3.147 1.00 0.00 H new ATOM 0 HG23 VAL B 208 -12.015 15.812 4.347 1.00 0.00 H new ATOM 1225 N GLU B 209 -12.096 14.015 5.705 1.00 0.00 N ATOM 1226 CA GLU B 209 -12.026 14.296 7.135 1.00 0.00 C ATOM 1227 C GLU B 209 -11.272 13.190 7.868 1.00 0.00 C ATOM 1228 O GLU B 209 -11.219 12.051 7.405 1.00 0.00 O ATOM 1229 CB GLU B 209 -13.439 14.425 7.716 1.00 0.00 C ATOM 1230 CG GLU B 209 -14.277 13.204 7.321 1.00 0.00 C ATOM 1231 CD GLU B 209 -14.730 13.326 5.868 1.00 0.00 C ATOM 1232 OE1 GLU B 209 -15.074 14.425 5.466 1.00 0.00 O ATOM 1233 OE2 GLU B 209 -14.726 12.318 5.181 1.00 0.00 O ATOM 0 H GLU B 209 -13.011 14.176 5.285 1.00 0.00 H new ATOM 0 HA GLU B 209 -11.490 15.235 7.271 1.00 0.00 H new ATOM 0 HB2 GLU B 209 -13.389 14.507 8.802 1.00 0.00 H new ATOM 0 HB3 GLU B 209 -13.911 15.336 7.348 1.00 0.00 H new ATOM 0 HG2 GLU B 209 -13.692 12.294 7.452 1.00 0.00 H new ATOM 0 HG3 GLU B 209 -15.145 13.122 7.975 1.00 0.00 H new ATOM 1240 N THR B 210 -10.690 13.534 9.012 1.00 0.00 N ATOM 1241 CA THR B 210 -9.941 12.563 9.800 1.00 0.00 C ATOM 1242 C THR B 210 -8.897 11.863 8.936 1.00 0.00 C ATOM 1243 O THR B 210 -8.818 12.097 7.730 1.00 0.00 O ATOM 1244 CB THR B 210 -10.896 11.524 10.393 1.00 0.00 C ATOM 1245 OG1 THR B 210 -11.320 10.634 9.369 1.00 0.00 O ATOM 1246 CG2 THR B 210 -12.112 12.229 10.995 1.00 0.00 C ATOM 0 H THR B 210 -10.722 14.472 9.412 1.00 0.00 H new ATOM 0 HA THR B 210 -9.433 13.092 10.607 1.00 0.00 H new ATOM 0 HB THR B 210 -10.383 10.963 11.174 1.00 0.00 H new ATOM 0 HG1 THR B 210 -11.055 10.991 8.495 1.00 0.00 H new ATOM 0 HG21 THR B 210 -12.791 11.488 11.417 1.00 0.00 H new ATOM 0 HG22 THR B 210 -11.786 12.910 11.781 1.00 0.00 H new ATOM 0 HG23 THR B 210 -12.628 12.792 10.217 1.00 0.00 H new ATOM 1254 N PHE B 211 -8.098 11.005 9.561 1.00 0.00 N ATOM 1255 CA PHE B 211 -7.062 10.275 8.839 1.00 0.00 C ATOM 1256 C PHE B 211 -6.179 11.255 8.064 1.00 0.00 C ATOM 1257 O PHE B 211 -6.382 11.479 6.871 1.00 0.00 O ATOM 1258 CB PHE B 211 -7.709 9.265 7.868 1.00 0.00 C ATOM 1259 CG PHE B 211 -7.970 7.943 8.568 1.00 0.00 C ATOM 1260 CD1 PHE B 211 -8.434 7.923 9.891 1.00 0.00 C ATOM 1261 CD2 PHE B 211 -7.744 6.738 7.889 1.00 0.00 C ATOM 1262 CE1 PHE B 211 -8.671 6.699 10.531 1.00 0.00 C ATOM 1263 CE2 PHE B 211 -7.982 5.517 8.531 1.00 0.00 C ATOM 1264 CZ PHE B 211 -8.445 5.498 9.850 1.00 0.00 C ATOM 0 H PHE B 211 -8.147 10.799 10.559 1.00 0.00 H new ATOM 0 HA PHE B 211 -6.445 9.732 9.555 1.00 0.00 H new ATOM 0 HB2 PHE B 211 -8.645 9.670 7.484 1.00 0.00 H new ATOM 0 HB3 PHE B 211 -7.055 9.106 7.011 1.00 0.00 H new ATOM 0 HD1 PHE B 211 -8.609 8.850 10.416 1.00 0.00 H new ATOM 0 HD2 PHE B 211 -7.386 6.751 6.870 1.00 0.00 H new ATOM 0 HE1 PHE B 211 -9.028 6.683 11.550 1.00 0.00 H new ATOM 0 HE2 PHE B 211 -7.808 4.589 8.007 1.00 0.00 H new ATOM 0 HZ PHE B 211 -8.628 4.555 10.344 1.00 0.00 H new ATOM 1274 N GLY B 212 -5.200 11.833 8.752 1.00 0.00 N ATOM 1275 CA GLY B 212 -4.293 12.785 8.119 1.00 0.00 C ATOM 1276 C GLY B 212 -3.480 13.540 9.165 1.00 0.00 C ATOM 1277 O GLY B 212 -4.026 14.030 10.154 1.00 0.00 O ATOM 0 H GLY B 212 -5.015 11.661 9.740 1.00 0.00 H new ATOM 0 HA2 GLY B 212 -3.621 12.258 7.441 1.00 0.00 H new ATOM 0 HA3 GLY B 212 -4.864 13.492 7.516 1.00 0.00 H new ATOM 1281 N THR B 213 -2.172 13.630 8.940 1.00 0.00 N ATOM 1282 CA THR B 213 -1.285 14.328 9.868 1.00 0.00 C ATOM 1283 C THR B 213 -0.062 14.867 9.134 1.00 0.00 C ATOM 1284 O THR B 213 0.055 14.728 7.916 1.00 0.00 O ATOM 1285 CB THR B 213 -0.834 13.375 10.979 1.00 0.00 C ATOM 1286 OG1 THR B 213 -0.232 12.227 10.399 1.00 0.00 O ATOM 1287 CG2 THR B 213 -2.041 12.951 11.819 1.00 0.00 C ATOM 0 H THR B 213 -1.704 13.230 8.127 1.00 0.00 H new ATOM 0 HA THR B 213 -1.833 15.163 10.305 1.00 0.00 H new ATOM 0 HB THR B 213 -0.112 13.882 11.619 1.00 0.00 H new ATOM 0 HG1 THR B 213 0.732 12.238 10.576 1.00 0.00 H new ATOM 0 HG21 THR B 213 -1.715 12.273 12.608 1.00 0.00 H new ATOM 0 HG22 THR B 213 -2.501 13.832 12.265 1.00 0.00 H new ATOM 0 HG23 THR B 213 -2.767 12.445 11.183 1.00 0.00 H new ATOM 1295 N THR B 214 0.847 15.483 9.882 1.00 0.00 N ATOM 1296 CA THR B 214 2.059 16.040 9.291 1.00 0.00 C ATOM 1297 C THR B 214 3.051 14.930 8.958 1.00 0.00 C ATOM 1298 O THR B 214 3.004 14.347 7.874 1.00 0.00 O ATOM 1299 CB THR B 214 2.706 17.030 10.262 1.00 0.00 C ATOM 1300 OG1 THR B 214 2.935 16.387 11.509 1.00 0.00 O ATOM 1301 CG2 THR B 214 1.778 18.229 10.466 1.00 0.00 C ATOM 0 H THR B 214 0.769 15.609 10.891 1.00 0.00 H new ATOM 0 HA THR B 214 1.788 16.558 8.371 1.00 0.00 H new ATOM 0 HB THR B 214 3.655 17.375 9.851 1.00 0.00 H new ATOM 0 HG1 THR B 214 3.351 17.019 12.132 1.00 0.00 H new ATOM 0 HG21 THR B 214 2.240 18.933 11.158 1.00 0.00 H new ATOM 0 HG22 THR B 214 1.604 18.721 9.509 1.00 0.00 H new ATOM 0 HG23 THR B 214 0.828 17.888 10.877 1.00 0.00 H new ATOM 1309 N SER B 215 3.948 14.643 9.895 1.00 0.00 N ATOM 1310 CA SER B 215 4.947 13.601 9.689 1.00 0.00 C ATOM 1311 C SER B 215 4.326 12.220 9.875 1.00 0.00 C ATOM 1312 O SER B 215 3.114 12.091 10.041 1.00 0.00 O ATOM 1313 CB SER B 215 6.100 13.781 10.677 1.00 0.00 C ATOM 1314 OG SER B 215 6.595 15.110 10.582 1.00 0.00 O ATOM 0 H SER B 215 4.004 15.113 10.798 1.00 0.00 H new ATOM 0 HA SER B 215 5.326 13.683 8.670 1.00 0.00 H new ATOM 0 HB2 SER B 215 5.759 13.579 11.692 1.00 0.00 H new ATOM 0 HB3 SER B 215 6.895 13.068 10.460 1.00 0.00 H new ATOM 0 HG SER B 215 7.333 15.230 11.215 1.00 0.00 H new HETATM 1320 N TYS B 216 5.167 11.190 9.846 1.00 0.00 N HETATM 1321 CA TYS B 216 4.689 9.823 10.011 1.00 0.00 C HETATM 1322 CB TYS B 216 3.892 9.398 8.775 1.00 0.00 C HETATM 1323 CG TYS B 216 3.454 7.955 8.913 1.00 0.00 C HETATM 1324 CD1 TYS B 216 2.600 7.577 9.958 1.00 0.00 C HETATM 1325 CD2 TYS B 216 3.901 6.993 7.997 1.00 0.00 C HETATM 1326 CE1 TYS B 216 2.197 6.242 10.086 1.00 0.00 C HETATM 1327 CE2 TYS B 216 3.496 5.660 8.126 1.00 0.00 C HETATM 1328 CZ TYS B 216 2.645 5.284 9.170 1.00 0.00 C HETATM 1329 OH TYS B 216 2.247 3.972 9.297 1.00 0.00 O HETATM 1330 S TYS B 216 2.132 3.336 10.690 1.00 0.00 S HETATM 1331 O1 TYS B 216 2.598 1.922 10.631 1.00 0.00 O HETATM 1332 O2 TYS B 216 2.974 4.097 11.656 1.00 0.00 O HETATM 1333 O3 TYS B 216 0.710 3.371 11.136 1.00 0.00 O HETATM 1334 C TYS B 216 5.863 8.872 10.230 1.00 0.00 C HETATM 1335 O TYS B 216 5.698 7.653 10.242 1.00 0.00 O HETATM 0 HO3 TYS B 216 0.636 2.965 12.025 1.00 0.00 H new HETATM 0 HE2 TYS B 216 3.844 4.914 7.412 1.00 0.00 H new HETATM 0 HE1 TYS B 216 1.534 5.949 10.900 1.00 0.00 H new HETATM 0 HD2 TYS B 216 4.565 7.284 7.183 1.00 0.00 H new HETATM 0 HD1 TYS B 216 2.249 8.323 10.672 1.00 0.00 H new HETATM 0 HB3 TYS B 216 3.020 10.041 8.655 1.00 0.00 H new HETATM 0 HB2 TYS B 216 4.502 9.518 7.880 1.00 0.00 H new HETATM 0 HA TYS B 216 4.040 9.781 10.886 1.00 0.00 H new HETATM 1344 N TYS B 217 7.048 9.447 10.411 1.00 0.00 N HETATM 1345 CA TYS B 217 8.253 8.656 10.639 1.00 0.00 C HETATM 1346 CB TYS B 217 8.775 8.083 9.308 1.00 0.00 C HETATM 1347 CG TYS B 217 8.034 6.807 8.958 1.00 0.00 C HETATM 1348 CD1 TYS B 217 8.146 5.684 9.790 1.00 0.00 C HETATM 1349 CD2 TYS B 217 7.241 6.744 7.803 1.00 0.00 C HETATM 1350 CE1 TYS B 217 7.467 4.503 9.467 1.00 0.00 C HETATM 1351 CE2 TYS B 217 6.562 5.562 7.483 1.00 0.00 C HETATM 1352 CZ TYS B 217 6.676 4.442 8.315 1.00 0.00 C HETATM 1353 OH TYS B 217 6.006 3.281 8.002 1.00 0.00 O HETATM 1354 S TYS B 217 4.875 2.780 8.912 1.00 0.00 S HETATM 1355 O1 TYS B 217 3.659 2.514 8.094 1.00 0.00 O HETATM 1356 O2 TYS B 217 5.304 1.524 9.590 1.00 0.00 O HETATM 1357 O3 TYS B 217 4.567 3.816 9.937 1.00 0.00 O HETATM 1358 C TYS B 217 9.330 9.525 11.288 1.00 0.00 C HETATM 1359 O TYS B 217 10.508 9.171 11.292 1.00 0.00 O HETATM 0 HO3 TYS B 217 3.856 3.491 10.528 1.00 0.00 H new HETATM 0 HE2 TYS B 217 5.945 5.514 6.586 1.00 0.00 H new HETATM 0 HE1 TYS B 217 7.555 3.630 10.114 1.00 0.00 H new HETATM 0 HD2 TYS B 217 7.153 7.615 7.154 1.00 0.00 H new HETATM 0 HD1 TYS B 217 8.762 5.730 10.688 1.00 0.00 H new HETATM 0 HB3 TYS B 217 8.645 8.817 8.513 1.00 0.00 H new HETATM 0 HB2 TYS B 217 9.843 7.882 9.385 1.00 0.00 H new HETATM 0 HA TYS B 217 8.009 7.829 11.306 1.00 0.00 H new ATOM 1368 N ASP B 218 8.914 10.664 11.832 1.00 0.00 N ATOM 1369 CA ASP B 218 9.849 11.576 12.480 1.00 0.00 C ATOM 1370 C ASP B 218 10.785 10.814 13.411 1.00 0.00 C ATOM 1371 O ASP B 218 11.880 11.280 13.724 1.00 0.00 O ATOM 1372 CB ASP B 218 9.081 12.632 13.277 1.00 0.00 C ATOM 1373 CG ASP B 218 8.121 11.956 14.249 1.00 0.00 C ATOM 1374 OD1 ASP B 218 7.410 11.061 13.822 1.00 0.00 O ATOM 1375 OD2 ASP B 218 8.110 12.342 15.406 1.00 0.00 O ATOM 0 H ASP B 218 7.943 10.976 11.837 1.00 0.00 H new ATOM 0 HA ASP B 218 10.443 12.065 11.708 1.00 0.00 H new ATOM 0 HB2 ASP B 218 9.779 13.265 13.824 1.00 0.00 H new ATOM 0 HB3 ASP B 218 8.527 13.280 12.598 1.00 0.00 H new ATOM 1380 N ASP B 219 10.347 9.638 13.850 1.00 0.00 N ATOM 1381 CA ASP B 219 11.155 8.819 14.746 1.00 0.00 C ATOM 1382 C ASP B 219 12.326 8.198 13.992 1.00 0.00 C ATOM 1383 O ASP B 219 13.407 8.013 14.548 1.00 0.00 O ATOM 1384 CB ASP B 219 10.296 7.713 15.361 1.00 0.00 C ATOM 1385 CG ASP B 219 9.333 8.308 16.384 1.00 0.00 C ATOM 1386 OD1 ASP B 219 9.775 9.119 17.182 1.00 0.00 O ATOM 1387 OD2 ASP B 219 8.170 7.944 16.353 1.00 0.00 O ATOM 0 H ASP B 219 9.444 9.233 13.602 1.00 0.00 H new ATOM 0 HA ASP B 219 11.545 9.457 15.539 1.00 0.00 H new ATOM 0 HB2 ASP B 219 9.737 7.198 14.579 1.00 0.00 H new ATOM 0 HB3 ASP B 219 10.934 6.969 15.839 1.00 0.00 H new ATOM 1392 N VAL B 220 12.099 7.878 12.722 1.00 0.00 N ATOM 1393 CA VAL B 220 13.138 7.277 11.892 1.00 0.00 C ATOM 1394 C VAL B 220 13.575 5.934 12.466 1.00 0.00 C ATOM 1395 O VAL B 220 13.275 4.881 11.902 1.00 0.00 O ATOM 1396 CB VAL B 220 14.344 8.215 11.801 1.00 0.00 C ATOM 1397 CG1 VAL B 220 15.261 7.764 10.662 1.00 0.00 C ATOM 1398 CG2 VAL B 220 13.859 9.641 11.529 1.00 0.00 C ATOM 0 H VAL B 220 11.209 8.024 12.246 1.00 0.00 H new ATOM 0 HA VAL B 220 12.730 7.115 10.894 1.00 0.00 H new ATOM 0 HB VAL B 220 14.895 8.189 12.741 1.00 0.00 H new ATOM 0 HG11 VAL B 220 16.119 8.433 10.599 1.00 0.00 H new ATOM 0 HG12 VAL B 220 15.606 6.748 10.854 1.00 0.00 H new ATOM 0 HG13 VAL B 220 14.712 7.789 9.721 1.00 0.00 H new ATOM 0 HG21 VAL B 220 14.716 10.311 11.464 1.00 0.00 H new ATOM 0 HG22 VAL B 220 13.308 9.665 10.589 1.00 0.00 H new ATOM 0 HG23 VAL B 220 13.207 9.964 12.340 1.00 0.00 H new ATOM 1408 N GLY B 221 14.283 5.975 13.590 1.00 0.00 N ATOM 1409 CA GLY B 221 14.754 4.752 14.230 1.00 0.00 C ATOM 1410 C GLY B 221 13.635 3.720 14.323 1.00 0.00 C ATOM 1411 O GLY B 221 13.883 2.544 14.592 1.00 0.00 O ATOM 0 H GLY B 221 14.542 6.835 14.074 1.00 0.00 H new ATOM 0 HA2 GLY B 221 15.589 4.339 13.664 1.00 0.00 H new ATOM 0 HA3 GLY B 221 15.128 4.980 15.228 1.00 0.00 H new ATOM 1415 N LEU B 222 12.404 4.167 14.097 1.00 0.00 N ATOM 1416 CA LEU B 222 11.252 3.274 14.156 1.00 0.00 C ATOM 1417 C LEU B 222 11.540 1.984 13.390 1.00 0.00 C ATOM 1418 O LEU B 222 11.541 0.896 13.965 1.00 0.00 O ATOM 1419 CB LEU B 222 10.021 3.979 13.561 1.00 0.00 C ATOM 1420 CG LEU B 222 8.731 3.380 14.137 1.00 0.00 C ATOM 1421 CD1 LEU B 222 7.524 4.090 13.518 1.00 0.00 C ATOM 1422 CD2 LEU B 222 8.663 1.880 13.818 1.00 0.00 C ATOM 0 H LEU B 222 12.179 5.136 13.873 1.00 0.00 H new ATOM 0 HA LEU B 222 11.052 3.021 15.197 1.00 0.00 H new ATOM 0 HB2 LEU B 222 10.064 5.046 13.780 1.00 0.00 H new ATOM 0 HB3 LEU B 222 10.024 3.876 12.476 1.00 0.00 H new ATOM 0 HG LEU B 222 8.722 3.515 15.219 1.00 0.00 H new ATOM 0 HD11 LEU B 222 6.605 3.667 13.925 1.00 0.00 H new ATOM 0 HD12 LEU B 222 7.568 5.154 13.752 1.00 0.00 H new ATOM 0 HD13 LEU B 222 7.538 3.955 12.436 1.00 0.00 H new ATOM 0 HD21 LEU B 222 7.745 1.462 14.230 1.00 0.00 H new ATOM 0 HD22 LEU B 222 8.674 1.737 12.737 1.00 0.00 H new ATOM 0 HD23 LEU B 222 9.522 1.375 14.260 1.00 0.00 H new ATOM 1434 N LEU B 223 11.786 2.117 12.091 1.00 0.00 N ATOM 1435 CA LEU B 223 12.075 0.956 11.256 1.00 0.00 C ATOM 1436 C LEU B 223 13.111 0.062 11.932 1.00 0.00 C ATOM 1437 O LEU B 223 12.750 -1.037 12.324 1.00 0.00 O ATOM 1438 CB LEU B 223 12.592 1.421 9.885 1.00 0.00 C ATOM 1439 CG LEU B 223 13.126 0.230 9.075 1.00 0.00 C ATOM 1440 CD1 LEU B 223 12.098 -0.907 9.071 1.00 0.00 C ATOM 1441 CD2 LEU B 223 13.391 0.682 7.637 1.00 0.00 C ATOM 1442 OXT LEU B 223 14.248 0.487 12.046 1.00 0.00 O ATOM 0 H LEU B 223 11.791 3.009 11.596 1.00 0.00 H new ATOM 0 HA LEU B 223 11.159 0.381 11.118 1.00 0.00 H new ATOM 0 HB2 LEU B 223 11.789 1.911 9.335 1.00 0.00 H new ATOM 0 HB3 LEU B 223 13.382 2.159 10.020 1.00 0.00 H new ATOM 0 HG LEU B 223 14.050 -0.129 9.528 1.00 0.00 H new ATOM 0 HD11 LEU B 223 12.486 -1.746 8.494 1.00 0.00 H new ATOM 0 HD12 LEU B 223 11.906 -1.228 10.095 1.00 0.00 H new ATOM 0 HD13 LEU B 223 11.169 -0.556 8.621 1.00 0.00 H new ATOM 0 HD21 LEU B 223 13.770 -0.158 7.056 1.00 0.00 H new ATOM 0 HD22 LEU B 223 12.463 1.042 7.192 1.00 0.00 H new ATOM 0 HD23 LEU B 223 14.128 1.485 7.638 1.00 0.00 H new TER 1454 LEU B 223