USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=25 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 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 47 LYS NZ :NH3+ -134:sc= -0.0183 (180deg=-0.244) USER MOD Set 2.2: B 217 TYS O3 : rot -132:sc= -1.46 USER MOD Set 3.1: A 25 SER OG : rot 142:sc= 0.113 USER MOD Set 3.2: A 71 THR OG1 : rot -92:sc= -0.35 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.138 (180deg=0) USER MOD Single : A 4 SER OG : rot -59:sc= 0.161 USER MOD Single : A 7 THR OG1 : rot -28:sc= 0.333 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.943! USER MOD Single : A 12 ASN : amide:sc= -7.03! C(o=-7!,f=-2.3!) USER MOD Single : A 15 ASN : amide:sc= -4.05! C(o=-4!,f=-4.4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -3.05 K(o=-3.1,f=-0.83) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -4:sc= 0.721! USER MOD Single : A 31 SER OG : rot -66:sc= 0.733 USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.104) USER MOD Single : A 36 GLN : amide:sc= -4.45! C(o=-4.5!,f=-4.6!) 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 -78:sc= -4.72! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= -0.329 (180deg=-1.49!) USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= -0.282 (180deg=-1.39!) 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 -142:sc= 0.158! USER MOD Single : A 62 MET CE :methyl -155:sc= -1.06 (180deg=-1.24) USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= -0.144 (180deg=-0.878) USER MOD Single : A 67 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.065) USER MOD Single : A 69 SER OG : rot 37:sc= 0.267 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 THR OG1 : rot -65:sc= 1.14 USER MOD Single : B 213 THR OG1 : rot 180:sc= -0.114 USER MOD Single : B 214 THR OG1 : rot 180:sc= -0.414 USER MOD Single : B 215 SER OG : rot 180:sc= 0 USER MOD Single : B 216 TYS O3 : rot -52:sc= -0.351! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.934 -13.540 -12.709 1.00 0.00 N ATOM 2 CA GLY A 1 2.807 -14.206 -11.701 1.00 0.00 C ATOM 3 C GLY A 1 2.018 -14.435 -10.415 1.00 0.00 C ATOM 4 O GLY A 1 0.826 -14.137 -10.345 1.00 0.00 O ATOM 0 H1 GLY A 1 1.812 -14.166 -13.531 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.005 -13.340 -12.286 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.374 -12.649 -13.015 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.171 -15.157 -12.091 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.682 -13.589 -11.498 1.00 0.00 H new ATOM 10 N PRO A 2 2.663 -14.955 -9.404 1.00 0.00 N ATOM 11 CA PRO A 2 2.014 -15.231 -8.088 1.00 0.00 C ATOM 12 C PRO A 2 1.163 -14.056 -7.607 1.00 0.00 C ATOM 13 O PRO A 2 1.579 -12.901 -7.689 1.00 0.00 O ATOM 14 CB PRO A 2 3.204 -15.481 -7.152 1.00 0.00 C ATOM 15 CG PRO A 2 4.280 -16.018 -8.041 1.00 0.00 C ATOM 16 CD PRO A 2 4.086 -15.339 -9.403 1.00 0.00 C ATOM 0 HA PRO A 2 1.320 -16.070 -8.134 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.520 -14.562 -6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.948 -16.192 -6.367 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.267 -15.799 -7.634 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.206 -17.102 -8.132 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.735 -14.470 -9.513 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.318 -16.017 -10.225 1.00 0.00 H new ATOM 24 N ALA A 3 -0.029 -14.362 -7.106 1.00 0.00 N ATOM 25 CA ALA A 3 -0.930 -13.325 -6.615 1.00 0.00 C ATOM 26 C ALA A 3 -0.485 -12.834 -5.242 1.00 0.00 C ATOM 27 O ALA A 3 0.587 -13.198 -4.758 1.00 0.00 O ATOM 28 CB ALA A 3 -2.357 -13.869 -6.529 1.00 0.00 C ATOM 0 H ALA A 3 -0.392 -15.312 -7.029 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.904 -12.488 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.023 -13.088 -6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.685 -14.189 -7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.382 -14.718 -5.846 1.00 0.00 H new ATOM 34 N SER A 4 -1.315 -12.004 -4.621 1.00 0.00 N ATOM 35 CA SER A 4 -1.001 -11.465 -3.304 1.00 0.00 C ATOM 36 C SER A 4 -1.106 -12.550 -2.238 1.00 0.00 C ATOM 37 O SER A 4 -1.605 -12.308 -1.140 1.00 0.00 O ATOM 38 CB SER A 4 -1.962 -10.325 -2.971 1.00 0.00 C ATOM 39 OG SER A 4 -1.435 -9.565 -1.891 1.00 0.00 O ATOM 0 H SER A 4 -2.206 -11.691 -5.006 1.00 0.00 H new ATOM 0 HA SER A 4 0.022 -11.089 -3.319 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.104 -9.688 -3.844 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.941 -10.725 -2.706 1.00 0.00 H new ATOM 0 HG SER A 4 -1.311 -10.146 -1.112 1.00 0.00 H new ATOM 45 N VAL A 5 -0.633 -13.747 -2.571 1.00 0.00 N ATOM 46 CA VAL A 5 -0.679 -14.865 -1.634 1.00 0.00 C ATOM 47 C VAL A 5 0.420 -14.754 -0.569 1.00 0.00 C ATOM 48 O VAL A 5 0.206 -15.143 0.580 1.00 0.00 O ATOM 49 CB VAL A 5 -0.539 -16.192 -2.394 1.00 0.00 C ATOM 50 CG1 VAL A 5 -1.133 -17.335 -1.563 1.00 0.00 C ATOM 51 CG2 VAL A 5 -1.287 -16.092 -3.726 1.00 0.00 C ATOM 0 H VAL A 5 -0.216 -13.967 -3.476 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.643 -14.835 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 5 0.517 -16.393 -2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.030 -18.273 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.603 -17.408 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.189 -17.138 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.190 -17.032 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.341 -15.889 -3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.863 -15.284 -4.322 1.00 0.00 H new ATOM 61 N PRO A 6 1.583 -14.245 -0.910 1.00 0.00 N ATOM 62 CA PRO A 6 2.708 -14.108 0.066 1.00 0.00 C ATOM 63 C PRO A 6 2.292 -13.328 1.314 1.00 0.00 C ATOM 64 O PRO A 6 3.019 -13.291 2.306 1.00 0.00 O ATOM 65 CB PRO A 6 3.797 -13.362 -0.728 1.00 0.00 C ATOM 66 CG PRO A 6 3.488 -13.649 -2.162 1.00 0.00 C ATOM 67 CD PRO A 6 1.966 -13.745 -2.245 1.00 0.00 C ATOM 0 HA PRO A 6 3.047 -15.073 0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.772 -12.291 -0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.793 -13.714 -0.460 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.866 -12.858 -2.810 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.957 -14.578 -2.485 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.513 -12.776 -2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.649 -14.425 -3.035 1.00 0.00 H new ATOM 75 N THR A 7 1.119 -12.707 1.253 1.00 0.00 N ATOM 76 CA THR A 7 0.616 -11.932 2.382 1.00 0.00 C ATOM 77 C THR A 7 -0.859 -11.596 2.186 1.00 0.00 C ATOM 78 O THR A 7 -1.288 -11.263 1.081 1.00 0.00 O ATOM 79 CB THR A 7 1.421 -10.638 2.527 1.00 0.00 C ATOM 80 OG1 THR A 7 2.803 -10.951 2.624 1.00 0.00 O ATOM 81 CG2 THR A 7 0.974 -9.897 3.788 1.00 0.00 C ATOM 0 H THR A 7 0.503 -12.724 0.441 1.00 0.00 H new ATOM 0 HA THR A 7 0.724 -12.530 3.287 1.00 0.00 H new ATOM 0 HB THR A 7 1.252 -10.004 1.657 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.910 -11.842 3.018 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.547 -8.976 3.891 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.087 -9.658 3.713 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.142 -10.529 4.660 1.00 0.00 H new ATOM 89 N THR A 8 -1.630 -11.687 3.265 1.00 0.00 N ATOM 90 CA THR A 8 -3.057 -11.389 3.198 1.00 0.00 C ATOM 91 C THR A 8 -3.287 -10.011 2.584 1.00 0.00 C ATOM 92 O THR A 8 -3.155 -9.832 1.373 1.00 0.00 O ATOM 93 CB THR A 8 -3.666 -11.443 4.604 1.00 0.00 C ATOM 94 OG1 THR A 8 -4.887 -10.716 4.619 1.00 0.00 O ATOM 95 CG2 THR A 8 -2.691 -10.830 5.613 1.00 0.00 C ATOM 0 H THR A 8 -1.295 -11.962 4.188 1.00 0.00 H new ATOM 0 HA THR A 8 -3.540 -12.135 2.568 1.00 0.00 H new ATOM 0 HB THR A 8 -3.858 -12.481 4.875 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.278 -10.751 5.517 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.127 -10.870 6.611 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.756 -11.391 5.603 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.494 -9.792 5.344 1.00 0.00 H new ATOM 103 N CYS A 9 -3.631 -9.039 3.424 1.00 0.00 N ATOM 104 CA CYS A 9 -3.874 -7.683 2.948 1.00 0.00 C ATOM 105 C CYS A 9 -4.059 -6.726 4.122 1.00 0.00 C ATOM 106 O CYS A 9 -4.602 -7.101 5.161 1.00 0.00 O ATOM 107 CB CYS A 9 -5.122 -7.656 2.063 1.00 0.00 C ATOM 108 SG CYS A 9 -5.162 -6.107 1.127 1.00 0.00 S ATOM 0 H CYS A 9 -3.747 -9.164 4.430 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.009 -7.362 2.367 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -5.116 -8.506 1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -6.018 -7.746 2.677 1.00 0.00 H new ATOM 113 N CYS A 10 -3.605 -5.490 3.948 1.00 0.00 N ATOM 114 CA CYS A 10 -3.724 -4.486 4.999 1.00 0.00 C ATOM 115 C CYS A 10 -5.129 -4.494 5.592 1.00 0.00 C ATOM 116 O CYS A 10 -6.102 -4.810 4.906 1.00 0.00 O ATOM 117 CB CYS A 10 -3.417 -3.099 4.429 1.00 0.00 C ATOM 118 SG CYS A 10 -4.399 -2.833 2.932 1.00 0.00 S ATOM 0 H CYS A 10 -3.154 -5.160 3.095 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.009 -4.724 5.787 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.646 -2.331 5.168 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.355 -3.015 4.200 1.00 0.00 H new ATOM 123 N PHE A 11 -5.229 -4.141 6.870 1.00 0.00 N ATOM 124 CA PHE A 11 -6.521 -4.110 7.544 1.00 0.00 C ATOM 125 C PHE A 11 -7.493 -3.208 6.791 1.00 0.00 C ATOM 126 O PHE A 11 -8.630 -3.593 6.519 1.00 0.00 O ATOM 127 CB PHE A 11 -6.351 -3.598 8.976 1.00 0.00 C ATOM 128 CG PHE A 11 -5.428 -4.521 9.736 1.00 0.00 C ATOM 129 CD1 PHE A 11 -4.045 -4.306 9.709 1.00 0.00 C ATOM 130 CD2 PHE A 11 -5.956 -5.591 10.467 1.00 0.00 C ATOM 131 CE1 PHE A 11 -3.190 -5.162 10.413 1.00 0.00 C ATOM 132 CE2 PHE A 11 -5.101 -6.447 11.171 1.00 0.00 C ATOM 133 CZ PHE A 11 -3.718 -6.232 11.144 1.00 0.00 C ATOM 0 H PHE A 11 -4.437 -3.874 7.455 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.924 -5.123 7.567 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.944 -2.587 8.966 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -7.320 -3.546 9.472 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.638 -3.480 9.145 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.023 -5.756 10.488 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.123 -4.997 10.392 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.508 -7.273 11.735 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.058 -6.892 11.688 1.00 0.00 H new ATOM 143 N ASN A 12 -7.036 -2.006 6.456 1.00 0.00 N ATOM 144 CA ASN A 12 -7.871 -1.055 5.731 1.00 0.00 C ATOM 145 C ASN A 12 -7.006 0.004 5.051 1.00 0.00 C ATOM 146 O ASN A 12 -6.264 -0.301 4.118 1.00 0.00 O ATOM 147 CB ASN A 12 -8.857 -0.385 6.692 1.00 0.00 C ATOM 148 CG ASN A 12 -8.137 0.033 7.969 1.00 0.00 C ATOM 149 OD1 ASN A 12 -8.762 0.151 9.024 1.00 0.00 O ATOM 150 ND2 ASN A 12 -6.854 0.266 7.939 1.00 0.00 N ATOM 0 H ASN A 12 -6.098 -1.669 6.673 1.00 0.00 H new ATOM 0 HA ASN A 12 -8.429 -1.595 4.966 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.306 0.487 6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.669 -1.072 6.931 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.367 0.546 8.790 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.338 0.168 7.065 1.00 0.00 H new ATOM 157 N LEU A 13 -7.105 1.249 5.522 1.00 0.00 N ATOM 158 CA LEU A 13 -6.325 2.355 4.954 1.00 0.00 C ATOM 159 C LEU A 13 -5.352 2.903 5.994 1.00 0.00 C ATOM 160 O LEU A 13 -5.465 2.600 7.181 1.00 0.00 O ATOM 161 CB LEU A 13 -7.263 3.477 4.492 1.00 0.00 C ATOM 162 CG LEU A 13 -8.458 2.883 3.740 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.402 4.009 3.310 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.964 2.133 2.499 1.00 0.00 C ATOM 0 H LEU A 13 -7.716 1.518 6.293 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.762 1.980 4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.612 4.048 5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.724 4.170 3.846 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.988 2.192 4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.252 3.586 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.757 4.543 4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.870 4.701 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.816 1.711 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.432 2.823 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.292 1.330 2.803 1.00 0.00 H new ATOM 176 N ALA A 14 -4.398 3.712 5.544 1.00 0.00 N ATOM 177 CA ALA A 14 -3.416 4.294 6.454 1.00 0.00 C ATOM 178 C ALA A 14 -4.093 5.269 7.412 1.00 0.00 C ATOM 179 O ALA A 14 -5.121 4.951 8.004 1.00 0.00 O ATOM 180 CB ALA A 14 -2.322 5.015 5.660 1.00 0.00 C ATOM 0 H ALA A 14 -4.284 3.978 4.566 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.962 3.491 7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.595 5.445 6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.822 4.304 5.002 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.770 5.809 5.063 1.00 0.00 H new ATOM 186 N ASN A 15 -3.512 6.457 7.564 1.00 0.00 N ATOM 187 CA ASN A 15 -4.080 7.463 8.458 1.00 0.00 C ATOM 188 C ASN A 15 -3.600 8.859 8.077 1.00 0.00 C ATOM 189 O ASN A 15 -4.380 9.812 8.057 1.00 0.00 O ATOM 190 CB ASN A 15 -3.669 7.180 9.908 1.00 0.00 C ATOM 191 CG ASN A 15 -3.835 5.698 10.228 1.00 0.00 C ATOM 192 OD1 ASN A 15 -4.954 5.228 10.430 1.00 0.00 O ATOM 193 ND2 ASN A 15 -2.782 4.931 10.286 1.00 0.00 N ATOM 0 H ASN A 15 -2.658 6.745 7.086 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.165 7.416 8.365 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.632 7.478 10.064 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.278 7.776 10.588 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.885 3.939 10.499 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.856 5.323 10.118 1.00 0.00 H new ATOM 200 N ARG A 16 -2.299 8.978 7.801 1.00 0.00 N ATOM 201 CA ARG A 16 -1.700 10.269 7.449 1.00 0.00 C ATOM 202 C ARG A 16 -0.956 10.195 6.118 1.00 0.00 C ATOM 203 O ARG A 16 -1.141 9.260 5.339 1.00 0.00 O ATOM 204 CB ARG A 16 -0.719 10.676 8.553 1.00 0.00 C ATOM 205 CG ARG A 16 -1.470 10.856 9.894 1.00 0.00 C ATOM 206 CD ARG A 16 -1.884 12.324 10.078 1.00 0.00 C ATOM 207 NE ARG A 16 -2.858 12.705 9.062 1.00 0.00 N ATOM 208 CZ ARG A 16 -3.063 13.982 8.752 1.00 0.00 C ATOM 209 NH1 ARG A 16 -2.388 14.918 9.358 1.00 0.00 N ATOM 210 NH2 ARG A 16 -3.943 14.298 7.839 1.00 0.00 N ATOM 0 H ARG A 16 -1.641 8.199 7.814 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.498 11.005 7.350 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.055 9.916 8.660 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.218 11.605 8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.353 10.217 9.913 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.832 10.544 10.721 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.309 12.467 11.071 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.007 12.968 10.011 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.391 11.980 8.581 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.701 14.672 10.071 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.546 15.897 9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.472 13.566 7.365 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.101 15.277 7.600 1.00 0.00 H new ATOM 224 N LYS A 17 -0.118 11.200 5.868 1.00 0.00 N ATOM 225 CA LYS A 17 0.654 11.265 4.631 1.00 0.00 C ATOM 226 C LYS A 17 1.922 10.420 4.734 1.00 0.00 C ATOM 227 O LYS A 17 2.528 10.314 5.801 1.00 0.00 O ATOM 228 CB LYS A 17 1.026 12.726 4.337 1.00 0.00 C ATOM 229 CG LYS A 17 2.036 12.796 3.182 1.00 0.00 C ATOM 230 CD LYS A 17 2.024 14.199 2.568 1.00 0.00 C ATOM 231 CE LYS A 17 3.077 14.283 1.461 1.00 0.00 C ATOM 232 NZ LYS A 17 3.316 15.712 1.112 1.00 0.00 N ATOM 0 H LYS A 17 0.043 11.979 6.506 1.00 0.00 H new ATOM 0 HA LYS A 17 0.044 10.869 3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.130 13.292 4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.450 13.187 5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.035 12.556 3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.787 12.055 2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.037 14.421 2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.229 14.945 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.006 13.818 1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.741 13.734 0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.032 15.771 0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.429 16.141 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.655 16.223 1.952 1.00 0.00 H new ATOM 246 N ILE A 18 2.320 9.834 3.606 1.00 0.00 N ATOM 247 CA ILE A 18 3.525 9.004 3.547 1.00 0.00 C ATOM 248 C ILE A 18 4.687 9.853 2.997 1.00 0.00 C ATOM 249 O ILE A 18 4.501 10.570 2.013 1.00 0.00 O ATOM 250 CB ILE A 18 3.244 7.790 2.620 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.553 6.658 3.418 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.531 7.264 1.958 1.00 0.00 C ATOM 253 CD1 ILE A 18 3.574 5.794 4.178 1.00 0.00 C ATOM 0 H ILE A 18 1.825 9.918 2.718 1.00 0.00 H new ATOM 0 HA ILE A 18 3.796 8.639 4.538 1.00 0.00 H new ATOM 0 HB ILE A 18 2.580 8.129 1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.845 7.091 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.980 6.029 2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.290 6.415 1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.981 8.055 1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.234 6.949 2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.051 5.010 4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.266 5.341 3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.129 6.418 4.878 1.00 0.00 H new ATOM 265 N PRO A 19 5.871 9.803 3.580 1.00 0.00 N ATOM 266 CA PRO A 19 7.024 10.612 3.073 1.00 0.00 C ATOM 267 C PRO A 19 7.394 10.222 1.640 1.00 0.00 C ATOM 268 O PRO A 19 7.862 9.112 1.388 1.00 0.00 O ATOM 269 CB PRO A 19 8.161 10.299 4.065 1.00 0.00 C ATOM 270 CG PRO A 19 7.784 8.991 4.673 1.00 0.00 C ATOM 271 CD PRO A 19 6.264 9.002 4.759 1.00 0.00 C ATOM 0 HA PRO A 19 6.801 11.678 3.024 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.123 10.237 3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.250 11.077 4.823 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.136 8.159 4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.232 8.874 5.660 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.850 7.994 4.719 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.915 9.453 5.688 1.00 0.00 H new ATOM 279 N LEU A 20 7.165 11.142 0.709 1.00 0.00 N ATOM 280 CA LEU A 20 7.460 10.891 -0.699 1.00 0.00 C ATOM 281 C LEU A 20 8.886 10.353 -0.878 1.00 0.00 C ATOM 282 O LEU A 20 9.120 9.442 -1.673 1.00 0.00 O ATOM 283 CB LEU A 20 7.289 12.195 -1.507 1.00 0.00 C ATOM 284 CG LEU A 20 5.832 12.349 -1.966 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.905 12.348 -0.750 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.676 13.670 -2.723 1.00 0.00 C ATOM 0 H LEU A 20 6.777 12.066 0.902 1.00 0.00 H new ATOM 0 HA LEU A 20 6.763 10.138 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.577 13.050 -0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.951 12.184 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 20 5.569 11.518 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.872 12.458 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.015 11.408 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.166 13.178 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.642 13.782 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.941 14.499 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.334 13.671 -3.592 1.00 0.00 H new ATOM 298 N GLN A 21 9.831 10.939 -0.153 1.00 0.00 N ATOM 299 CA GLN A 21 11.235 10.539 -0.250 1.00 0.00 C ATOM 300 C GLN A 21 11.414 9.021 -0.153 1.00 0.00 C ATOM 301 O GLN A 21 12.361 8.470 -0.713 1.00 0.00 O ATOM 302 CB GLN A 21 12.043 11.219 0.862 1.00 0.00 C ATOM 303 CG GLN A 21 11.291 11.102 2.187 1.00 0.00 C ATOM 304 CD GLN A 21 12.105 11.745 3.306 1.00 0.00 C ATOM 305 OE1 GLN A 21 11.564 12.504 4.110 1.00 0.00 O ATOM 306 NE2 GLN A 21 13.379 11.485 3.406 1.00 0.00 N ATOM 0 H GLN A 21 9.653 11.694 0.510 1.00 0.00 H new ATOM 0 HA GLN A 21 11.597 10.853 -1.229 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.025 10.755 0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.207 12.268 0.617 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.319 11.588 2.107 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.105 10.053 2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.825 10.856 2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.929 11.911 4.152 1.00 0.00 H new ATOM 315 N ARG A 22 10.519 8.349 0.568 1.00 0.00 N ATOM 316 CA ARG A 22 10.613 6.893 0.739 1.00 0.00 C ATOM 317 C ARG A 22 9.674 6.166 -0.219 1.00 0.00 C ATOM 318 O ARG A 22 9.804 4.962 -0.443 1.00 0.00 O ATOM 319 CB ARG A 22 10.260 6.529 2.187 1.00 0.00 C ATOM 320 CG ARG A 22 11.373 7.024 3.143 1.00 0.00 C ATOM 321 CD ARG A 22 10.772 7.458 4.489 1.00 0.00 C ATOM 322 NE ARG A 22 11.784 7.387 5.538 1.00 0.00 N ATOM 323 CZ ARG A 22 12.818 8.221 5.553 1.00 0.00 C ATOM 324 NH1 ARG A 22 12.942 9.125 4.620 1.00 0.00 N ATOM 325 NH2 ARG A 22 13.710 8.138 6.501 1.00 0.00 N ATOM 0 H ARG A 22 9.725 8.781 1.041 1.00 0.00 H new ATOM 0 HA ARG A 22 11.633 6.582 0.515 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.306 6.979 2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.142 5.450 2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.103 6.230 3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.905 7.860 2.689 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.387 8.475 4.413 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.928 6.816 4.743 1.00 0.00 H new ATOM 0 HE ARG A 22 11.696 6.685 6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.245 9.192 3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.736 9.765 4.632 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.614 7.432 7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.504 8.779 6.512 1.00 0.00 H new ATOM 339 N LEU A 23 8.729 6.908 -0.777 1.00 0.00 N ATOM 340 CA LEU A 23 7.754 6.348 -1.709 1.00 0.00 C ATOM 341 C LEU A 23 8.432 5.955 -3.023 1.00 0.00 C ATOM 342 O LEU A 23 9.095 6.774 -3.658 1.00 0.00 O ATOM 343 CB LEU A 23 6.666 7.419 -1.945 1.00 0.00 C ATOM 344 CG LEU A 23 5.548 6.990 -2.934 1.00 0.00 C ATOM 345 CD1 LEU A 23 5.936 7.348 -4.383 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.221 5.491 -2.809 1.00 0.00 C ATOM 0 H LEU A 23 8.614 7.906 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 23 7.306 5.444 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.210 7.673 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.141 8.325 -2.323 1.00 0.00 H new ATOM 0 HG LEU A 23 4.646 7.543 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.139 7.039 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.084 8.425 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.859 6.833 -4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.434 5.230 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.114 4.905 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.883 5.276 -1.795 1.00 0.00 H new ATOM 358 N GLU A 24 8.241 4.702 -3.437 1.00 0.00 N ATOM 359 CA GLU A 24 8.807 4.208 -4.690 1.00 0.00 C ATOM 360 C GLU A 24 7.772 4.325 -5.813 1.00 0.00 C ATOM 361 O GLU A 24 8.012 4.983 -6.825 1.00 0.00 O ATOM 362 CB GLU A 24 9.229 2.745 -4.530 1.00 0.00 C ATOM 363 CG GLU A 24 9.641 2.174 -5.890 1.00 0.00 C ATOM 364 CD GLU A 24 10.384 0.856 -5.701 1.00 0.00 C ATOM 365 OE1 GLU A 24 9.896 0.025 -4.951 1.00 0.00 O ATOM 366 OE2 GLU A 24 11.432 0.697 -6.306 1.00 0.00 O ATOM 0 H GLU A 24 7.697 4.010 -2.921 1.00 0.00 H new ATOM 0 HA GLU A 24 9.681 4.808 -4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.059 2.671 -3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.407 2.163 -4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.758 2.017 -6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.277 2.887 -6.415 1.00 0.00 H new ATOM 373 N SER A 25 6.620 3.680 -5.623 1.00 0.00 N ATOM 374 CA SER A 25 5.552 3.716 -6.623 1.00 0.00 C ATOM 375 C SER A 25 4.205 3.372 -5.985 1.00 0.00 C ATOM 376 O SER A 25 4.109 3.227 -4.766 1.00 0.00 O ATOM 377 CB SER A 25 5.855 2.723 -7.746 1.00 0.00 C ATOM 378 OG SER A 25 5.046 3.029 -8.874 1.00 0.00 O ATOM 0 H SER A 25 6.403 3.130 -4.792 1.00 0.00 H new ATOM 0 HA SER A 25 5.499 4.724 -7.034 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.910 2.773 -8.016 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.660 1.705 -7.409 1.00 0.00 H new ATOM 0 HG SER A 25 5.563 2.890 -9.695 1.00 0.00 H new ATOM 384 N TYR A 26 3.162 3.232 -6.814 1.00 0.00 N ATOM 385 CA TYR A 26 1.823 2.893 -6.311 1.00 0.00 C ATOM 386 C TYR A 26 1.187 1.782 -7.149 1.00 0.00 C ATOM 387 O TYR A 26 1.576 1.553 -8.294 1.00 0.00 O ATOM 388 CB TYR A 26 0.908 4.132 -6.310 1.00 0.00 C ATOM 389 CG TYR A 26 0.459 4.458 -7.719 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.297 5.186 -8.572 1.00 0.00 C ATOM 391 CD2 TYR A 26 -0.795 4.026 -8.170 1.00 0.00 C ATOM 392 CE1 TYR A 26 0.881 5.483 -9.876 1.00 0.00 C ATOM 393 CE2 TYR A 26 -1.210 4.322 -9.473 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.372 5.050 -10.327 1.00 0.00 C ATOM 395 OH TYR A 26 -0.782 5.342 -11.612 1.00 0.00 O ATOM 0 H TYR A 26 3.217 3.347 -7.826 1.00 0.00 H new ATOM 0 HA TYR A 26 1.937 2.537 -5.287 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.039 3.950 -5.678 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.439 4.984 -5.884 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.264 5.519 -8.225 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.441 3.464 -7.512 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.527 6.046 -10.534 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.177 3.989 -9.820 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.675 4.967 -11.764 1.00 0.00 H new ATOM 405 N ARG A 27 0.202 1.102 -6.564 1.00 0.00 N ATOM 406 CA ARG A 27 -0.502 0.018 -7.249 1.00 0.00 C ATOM 407 C ARG A 27 -1.937 -0.068 -6.739 1.00 0.00 C ATOM 408 O ARG A 27 -2.203 0.229 -5.578 1.00 0.00 O ATOM 409 CB ARG A 27 0.206 -1.319 -6.994 1.00 0.00 C ATOM 410 CG ARG A 27 -0.305 -2.392 -7.986 1.00 0.00 C ATOM 411 CD ARG A 27 -0.350 -3.766 -7.306 1.00 0.00 C ATOM 412 NE ARG A 27 -0.383 -4.824 -8.307 1.00 0.00 N ATOM 413 CZ ARG A 27 -0.552 -6.096 -7.957 1.00 0.00 C ATOM 414 NH1 ARG A 27 -0.692 -6.413 -6.699 1.00 0.00 N ATOM 415 NH2 ARG A 27 -0.578 -7.027 -8.872 1.00 0.00 N ATOM 0 H ARG A 27 -0.127 1.283 -5.616 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.504 0.224 -8.319 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.283 -1.195 -7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.026 -1.645 -5.970 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.299 -2.123 -8.344 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.348 -2.431 -8.858 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.522 -3.890 -6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.230 -3.834 -6.666 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.275 -4.585 -9.293 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.672 -5.685 -5.984 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.822 -7.388 -6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.469 -6.779 -9.855 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.708 -8.002 -8.604 1.00 0.00 H new ATOM 429 N ARG A 28 -2.865 -0.463 -7.609 1.00 0.00 N ATOM 430 CA ARG A 28 -4.276 -0.563 -7.222 1.00 0.00 C ATOM 431 C ARG A 28 -4.653 -1.997 -6.839 1.00 0.00 C ATOM 432 O ARG A 28 -4.095 -2.960 -7.363 1.00 0.00 O ATOM 433 CB ARG A 28 -5.162 -0.074 -8.388 1.00 0.00 C ATOM 434 CG ARG A 28 -6.425 0.611 -7.846 1.00 0.00 C ATOM 435 CD ARG A 28 -7.491 0.678 -8.943 1.00 0.00 C ATOM 436 NE ARG A 28 -7.011 1.479 -10.064 1.00 0.00 N ATOM 437 CZ ARG A 28 -7.777 1.701 -11.126 1.00 0.00 C ATOM 438 NH1 ARG A 28 -8.980 1.198 -11.181 1.00 0.00 N ATOM 439 NH2 ARG A 28 -7.326 2.421 -12.117 1.00 0.00 N ATOM 0 H ARG A 28 -2.671 -0.717 -8.578 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.438 0.065 -6.346 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.602 0.622 -9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.440 -0.917 -9.021 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.808 0.060 -6.987 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.184 1.616 -7.499 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.736 -0.328 -9.284 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.408 1.111 -8.543 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.072 1.875 -10.032 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.333 0.634 -10.408 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.568 1.369 -11.997 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.385 2.813 -12.076 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.914 2.591 -12.933 1.00 0.00 H new ATOM 453 N ILE A 29 -5.617 -2.117 -5.921 1.00 0.00 N ATOM 454 CA ILE A 29 -6.097 -3.424 -5.452 1.00 0.00 C ATOM 455 C ILE A 29 -7.564 -3.599 -5.851 1.00 0.00 C ATOM 456 O ILE A 29 -8.374 -2.686 -5.685 1.00 0.00 O ATOM 457 CB ILE A 29 -5.942 -3.536 -3.906 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.711 -2.133 -3.315 1.00 0.00 C ATOM 459 CG2 ILE A 29 -4.754 -4.446 -3.564 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.652 -2.180 -1.779 1.00 0.00 C ATOM 0 H ILE A 29 -6.083 -1.321 -5.485 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.501 -4.211 -5.914 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.849 -3.965 -3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.781 -1.720 -3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.513 -1.466 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.652 -4.519 -2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.924 -5.439 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.841 -4.027 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.488 -1.175 -1.390 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.593 -2.570 -1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.833 -2.828 -1.466 1.00 0.00 H new ATOM 472 N THR A 30 -7.898 -4.776 -6.376 1.00 0.00 N ATOM 473 CA THR A 30 -9.271 -5.062 -6.797 1.00 0.00 C ATOM 474 C THR A 30 -9.603 -6.534 -6.573 1.00 0.00 C ATOM 475 O THR A 30 -8.871 -7.420 -7.014 1.00 0.00 O ATOM 476 CB THR A 30 -9.446 -4.721 -8.279 1.00 0.00 C ATOM 477 OG1 THR A 30 -8.922 -5.778 -9.071 1.00 0.00 O ATOM 478 CG2 THR A 30 -8.701 -3.425 -8.601 1.00 0.00 C ATOM 0 H THR A 30 -7.242 -5.544 -6.520 1.00 0.00 H new ATOM 0 HA THR A 30 -9.948 -4.451 -6.200 1.00 0.00 H new ATOM 0 HB THR A 30 -10.506 -4.591 -8.498 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.515 -6.453 -8.488 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.828 -3.185 -9.657 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.103 -2.614 -7.994 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.641 -3.551 -8.382 1.00 0.00 H new ATOM 486 N SER A 31 -10.713 -6.786 -5.885 1.00 0.00 N ATOM 487 CA SER A 31 -11.136 -8.153 -5.608 1.00 0.00 C ATOM 488 C SER A 31 -10.059 -8.902 -4.829 1.00 0.00 C ATOM 489 O SER A 31 -8.868 -8.622 -4.970 1.00 0.00 O ATOM 490 CB SER A 31 -11.422 -8.886 -6.919 1.00 0.00 C ATOM 491 OG SER A 31 -10.197 -9.335 -7.482 1.00 0.00 O ATOM 0 H SER A 31 -11.332 -6.066 -5.512 1.00 0.00 H new ATOM 0 HA SER A 31 -12.044 -8.117 -5.006 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.085 -9.732 -6.739 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.934 -8.223 -7.616 1.00 0.00 H new ATOM 0 HG SER A 31 -9.653 -8.562 -7.740 1.00 0.00 H new ATOM 497 N GLY A 32 -10.485 -9.854 -4.007 1.00 0.00 N ATOM 498 CA GLY A 32 -9.549 -10.639 -3.210 1.00 0.00 C ATOM 499 C GLY A 32 -9.054 -9.841 -2.009 1.00 0.00 C ATOM 500 O GLY A 32 -8.041 -9.147 -2.087 1.00 0.00 O ATOM 0 H GLY A 32 -11.466 -10.100 -3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.034 -11.554 -2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.702 -10.938 -3.827 1.00 0.00 H new ATOM 504 N LYS A 33 -9.775 -9.947 -0.897 1.00 0.00 N ATOM 505 CA LYS A 33 -9.399 -9.230 0.316 1.00 0.00 C ATOM 506 C LYS A 33 -9.251 -7.738 0.028 1.00 0.00 C ATOM 507 O LYS A 33 -9.622 -7.264 -1.046 1.00 0.00 O ATOM 508 CB LYS A 33 -8.077 -9.788 0.863 1.00 0.00 C ATOM 509 CG LYS A 33 -8.326 -11.126 1.565 1.00 0.00 C ATOM 510 CD LYS A 33 -8.832 -12.160 0.551 1.00 0.00 C ATOM 511 CE LYS A 33 -8.645 -13.571 1.116 1.00 0.00 C ATOM 512 NZ LYS A 33 -9.456 -13.721 2.357 1.00 0.00 N ATOM 0 H LYS A 33 -10.616 -10.518 -0.811 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.183 -9.367 1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.364 -9.922 0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.634 -9.078 1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.406 -11.480 2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.057 -10.998 2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.885 -11.983 0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.288 -12.059 -0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.950 -14.313 0.378 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.592 -13.751 1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.522 -14.728 2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.002 -13.199 3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.411 -13.341 2.196 1.00 0.00 H new ATOM 526 N CYS A 34 -8.707 -7.004 0.993 1.00 0.00 N ATOM 527 CA CYS A 34 -8.514 -5.567 0.833 1.00 0.00 C ATOM 528 C CYS A 34 -9.870 -4.865 0.676 1.00 0.00 C ATOM 529 O CYS A 34 -10.805 -5.445 0.124 1.00 0.00 O ATOM 530 CB CYS A 34 -7.644 -5.298 -0.400 1.00 0.00 C ATOM 531 SG CYS A 34 -6.317 -6.526 -0.476 1.00 0.00 S ATOM 0 H CYS A 34 -8.394 -7.377 1.889 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.016 -5.175 1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.251 -5.345 -1.304 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.223 -4.294 -0.350 1.00 0.00 H new ATOM 536 N PRO A 35 -10.001 -3.640 1.138 1.00 0.00 N ATOM 537 CA PRO A 35 -11.284 -2.881 1.024 1.00 0.00 C ATOM 538 C PRO A 35 -11.547 -2.427 -0.411 1.00 0.00 C ATOM 539 O PRO A 35 -10.884 -2.879 -1.346 1.00 0.00 O ATOM 540 CB PRO A 35 -11.071 -1.682 1.958 1.00 0.00 C ATOM 541 CG PRO A 35 -9.596 -1.455 1.949 1.00 0.00 C ATOM 542 CD PRO A 35 -8.959 -2.841 1.815 1.00 0.00 C ATOM 0 HA PRO A 35 -12.153 -3.482 1.292 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.609 -0.803 1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.433 -1.894 2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.305 -0.810 1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.271 -0.963 2.866 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.039 -2.805 1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.702 -3.260 2.788 1.00 0.00 H new ATOM 550 N GLN A 36 -12.512 -1.528 -0.579 1.00 0.00 N ATOM 551 CA GLN A 36 -12.844 -1.021 -1.906 1.00 0.00 C ATOM 552 C GLN A 36 -11.569 -0.630 -2.653 1.00 0.00 C ATOM 553 O GLN A 36 -10.484 -0.602 -2.070 1.00 0.00 O ATOM 554 CB GLN A 36 -13.781 0.196 -1.786 1.00 0.00 C ATOM 555 CG GLN A 36 -13.440 1.006 -0.518 1.00 0.00 C ATOM 556 CD GLN A 36 -14.172 0.439 0.700 1.00 0.00 C ATOM 557 OE1 GLN A 36 -13.605 0.377 1.790 1.00 0.00 O ATOM 558 NE2 GLN A 36 -15.405 0.030 0.582 1.00 0.00 N ATOM 0 H GLN A 36 -13.073 -1.139 0.179 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.353 -1.805 -2.466 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.683 0.829 -2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.818 -0.137 -1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.364 0.984 -0.345 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.718 2.050 -0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.875 0.081 -0.322 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.899 -0.341 1.393 1.00 0.00 H new ATOM 567 N LYS A 37 -11.706 -0.328 -3.940 1.00 0.00 N ATOM 568 CA LYS A 37 -10.554 0.061 -4.750 1.00 0.00 C ATOM 569 C LYS A 37 -9.677 1.049 -3.986 1.00 0.00 C ATOM 570 O LYS A 37 -10.176 2.012 -3.403 1.00 0.00 O ATOM 571 CB LYS A 37 -11.026 0.697 -6.060 1.00 0.00 C ATOM 572 CG LYS A 37 -11.928 -0.286 -6.810 1.00 0.00 C ATOM 573 CD LYS A 37 -12.095 0.175 -8.260 1.00 0.00 C ATOM 574 CE LYS A 37 -13.252 -0.587 -8.908 1.00 0.00 C ATOM 575 NZ LYS A 37 -13.460 -0.086 -10.296 1.00 0.00 N ATOM 0 H LYS A 37 -12.594 -0.344 -4.442 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.969 -0.831 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.568 1.620 -5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.168 0.963 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.495 -1.286 -6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.901 -0.347 -6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.289 1.247 -8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.174 0.001 -8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.035 -1.655 -8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.162 -0.456 -8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.247 -0.604 -10.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.685 0.929 -10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.593 -0.233 -10.852 1.00 0.00 H new ATOM 589 N ALA A 38 -8.371 0.801 -3.986 1.00 0.00 N ATOM 590 CA ALA A 38 -7.438 1.674 -3.279 1.00 0.00 C ATOM 591 C ALA A 38 -6.036 1.565 -3.874 1.00 0.00 C ATOM 592 O ALA A 38 -5.651 0.521 -4.394 1.00 0.00 O ATOM 593 CB ALA A 38 -7.401 1.290 -1.797 1.00 0.00 C ATOM 0 H ALA A 38 -7.937 0.011 -4.463 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.778 2.704 -3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.705 1.942 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.397 1.400 -1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.075 0.255 -1.697 1.00 0.00 H new ATOM 599 N VAL A 39 -5.273 2.654 -3.785 1.00 0.00 N ATOM 600 CA VAL A 39 -3.906 2.674 -4.307 1.00 0.00 C ATOM 601 C VAL A 39 -2.910 2.467 -3.166 1.00 0.00 C ATOM 602 O VAL A 39 -2.936 3.188 -2.168 1.00 0.00 O ATOM 603 CB VAL A 39 -3.641 4.003 -5.022 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.814 4.318 -5.957 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.485 5.129 -3.995 1.00 0.00 C ATOM 0 H VAL A 39 -5.576 3.530 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.782 1.863 -5.025 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.721 3.923 -5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.629 5.263 -6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.916 3.521 -6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.733 4.394 -5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.297 6.070 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.399 5.215 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.648 4.905 -3.334 1.00 0.00 H new ATOM 615 N ILE A 40 -2.054 1.459 -3.310 1.00 0.00 N ATOM 616 CA ILE A 40 -1.069 1.128 -2.280 1.00 0.00 C ATOM 617 C ILE A 40 0.277 1.793 -2.558 1.00 0.00 C ATOM 618 O ILE A 40 0.968 1.423 -3.503 1.00 0.00 O ATOM 619 CB ILE A 40 -0.859 -0.393 -2.236 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.214 -1.111 -2.194 1.00 0.00 C ATOM 621 CG2 ILE A 40 -0.045 -0.780 -0.996 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.012 -2.614 -2.423 1.00 0.00 C ATOM 0 H ILE A 40 -2.021 0.855 -4.131 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.452 1.493 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.316 -0.692 -3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.696 -0.942 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.876 -0.703 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.097 -1.861 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.927 -0.287 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.579 -0.468 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.977 -3.120 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.549 -2.775 -3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.366 -3.017 -1.643 1.00 0.00 H new ATOM 634 N PHE A 41 0.667 2.741 -1.705 1.00 0.00 N ATOM 635 CA PHE A 41 1.961 3.403 -1.864 1.00 0.00 C ATOM 636 C PHE A 41 3.033 2.562 -1.179 1.00 0.00 C ATOM 637 O PHE A 41 2.967 2.326 0.027 1.00 0.00 O ATOM 638 CB PHE A 41 1.938 4.799 -1.236 1.00 0.00 C ATOM 639 CG PHE A 41 0.862 5.640 -1.882 1.00 0.00 C ATOM 640 CD1 PHE A 41 1.013 6.101 -3.200 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.284 5.973 -1.156 1.00 0.00 C ATOM 642 CE1 PHE A 41 0.014 6.890 -3.784 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.276 6.761 -1.737 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.129 7.220 -3.051 1.00 0.00 C ATOM 0 H PHE A 41 0.116 3.063 -0.910 1.00 0.00 H new ATOM 0 HA PHE A 41 2.177 3.504 -2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.756 4.721 -0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.909 5.278 -1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.899 5.847 -3.763 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.402 5.619 -0.142 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.127 7.243 -4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.160 7.018 -1.172 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.900 7.830 -3.499 1.00 0.00 H new ATOM 654 N LYS A 42 4.013 2.098 -1.950 1.00 0.00 N ATOM 655 CA LYS A 42 5.085 1.268 -1.398 1.00 0.00 C ATOM 656 C LYS A 42 6.316 2.109 -1.081 1.00 0.00 C ATOM 657 O LYS A 42 6.659 3.033 -1.818 1.00 0.00 O ATOM 658 CB LYS A 42 5.455 0.167 -2.398 1.00 0.00 C ATOM 659 CG LYS A 42 5.544 0.760 -3.805 1.00 0.00 C ATOM 660 CD LYS A 42 6.194 -0.255 -4.749 1.00 0.00 C ATOM 661 CE LYS A 42 5.432 -1.582 -4.689 1.00 0.00 C ATOM 662 NZ LYS A 42 5.743 -2.386 -5.905 1.00 0.00 N ATOM 0 H LYS A 42 4.089 2.279 -2.951 1.00 0.00 H new ATOM 0 HA LYS A 42 4.728 0.817 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.408 -0.284 -2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.708 -0.626 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.549 1.021 -4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.128 1.680 -3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.192 0.130 -5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.236 -0.410 -4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.712 -2.135 -3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.360 -1.396 -4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.226 -3.288 -5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.455 -1.858 -6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.765 -2.574 -5.945 1.00 0.00 H new ATOM 676 N THR A 43 6.980 1.773 0.023 1.00 0.00 N ATOM 677 CA THR A 43 8.183 2.490 0.445 1.00 0.00 C ATOM 678 C THR A 43 9.148 1.523 1.130 1.00 0.00 C ATOM 679 O THR A 43 8.843 0.344 1.302 1.00 0.00 O ATOM 680 CB THR A 43 7.824 3.648 1.406 1.00 0.00 C ATOM 681 OG1 THR A 43 8.721 3.648 2.507 1.00 0.00 O ATOM 682 CG2 THR A 43 6.394 3.489 1.928 1.00 0.00 C ATOM 0 H THR A 43 6.706 1.010 0.642 1.00 0.00 H new ATOM 0 HA THR A 43 8.661 2.913 -0.438 1.00 0.00 H new ATOM 0 HB THR A 43 7.902 4.588 0.860 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.460 2.948 3.141 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.159 4.313 2.602 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.698 3.497 1.089 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.305 2.544 2.464 1.00 0.00 H new ATOM 690 N LYS A 44 10.318 2.032 1.511 1.00 0.00 N ATOM 691 CA LYS A 44 11.329 1.207 2.169 1.00 0.00 C ATOM 692 C LYS A 44 11.115 1.177 3.680 1.00 0.00 C ATOM 693 O LYS A 44 12.076 1.111 4.448 1.00 0.00 O ATOM 694 CB LYS A 44 12.724 1.759 1.866 1.00 0.00 C ATOM 695 CG LYS A 44 13.008 1.632 0.368 1.00 0.00 C ATOM 696 CD LYS A 44 14.399 2.192 0.064 1.00 0.00 C ATOM 697 CE LYS A 44 14.648 2.154 -1.446 1.00 0.00 C ATOM 698 NZ LYS A 44 15.962 2.788 -1.749 1.00 0.00 N ATOM 0 H LYS A 44 10.588 3.006 1.376 1.00 0.00 H new ATOM 0 HA LYS A 44 11.240 0.191 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.788 2.803 2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.475 1.213 2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.950 0.587 0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.254 2.173 -0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.478 3.216 0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.159 1.608 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.639 1.123 -1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.849 2.679 -1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.132 2.762 -2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.954 3.776 -1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.719 2.269 -1.260 1.00 0.00 H new ATOM 712 N LEU A 45 9.855 1.221 4.106 1.00 0.00 N ATOM 713 CA LEU A 45 9.547 1.191 5.533 1.00 0.00 C ATOM 714 C LEU A 45 9.748 -0.226 6.077 1.00 0.00 C ATOM 715 O LEU A 45 10.810 -0.554 6.606 1.00 0.00 O ATOM 716 CB LEU A 45 8.086 1.664 5.771 1.00 0.00 C ATOM 717 CG LEU A 45 8.025 3.106 6.331 1.00 0.00 C ATOM 718 CD1 LEU A 45 8.805 3.220 7.661 1.00 0.00 C ATOM 719 CD2 LEU A 45 8.584 4.097 5.294 1.00 0.00 C ATOM 0 H LEU A 45 9.041 1.277 3.493 1.00 0.00 H new ATOM 0 HA LEU A 45 10.220 1.867 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.533 1.616 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.594 0.984 6.467 1.00 0.00 H new ATOM 0 HG LEU A 45 6.982 3.352 6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.745 4.243 8.031 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.371 2.542 8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.849 2.955 7.494 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.537 5.109 5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.620 3.843 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.991 4.042 4.381 1.00 0.00 H new ATOM 731 N ALA A 46 8.720 -1.059 5.942 1.00 0.00 N ATOM 732 CA ALA A 46 8.795 -2.434 6.422 1.00 0.00 C ATOM 733 C ALA A 46 7.600 -3.240 5.924 1.00 0.00 C ATOM 734 O ALA A 46 7.587 -4.468 6.010 1.00 0.00 O ATOM 735 CB ALA A 46 8.824 -2.452 7.951 1.00 0.00 C ATOM 0 H ALA A 46 7.832 -0.808 5.508 1.00 0.00 H new ATOM 0 HA ALA A 46 9.709 -2.885 6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.880 -3.483 8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.695 -1.900 8.305 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.918 -1.986 8.338 1.00 0.00 H new ATOM 741 N LYS A 47 6.597 -2.540 5.403 1.00 0.00 N ATOM 742 CA LYS A 47 5.399 -3.200 4.891 1.00 0.00 C ATOM 743 C LYS A 47 4.663 -2.282 3.913 1.00 0.00 C ATOM 744 O LYS A 47 4.986 -1.101 3.790 1.00 0.00 O ATOM 745 CB LYS A 47 4.473 -3.602 6.057 1.00 0.00 C ATOM 746 CG LYS A 47 4.618 -2.606 7.213 1.00 0.00 C ATOM 747 CD LYS A 47 4.279 -1.195 6.728 1.00 0.00 C ATOM 748 CE LYS A 47 4.065 -0.278 7.936 1.00 0.00 C ATOM 749 NZ LYS A 47 2.740 -0.572 8.553 1.00 0.00 N ATOM 0 H LYS A 47 6.588 -1.523 5.324 1.00 0.00 H new ATOM 0 HA LYS A 47 5.697 -4.103 4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.438 -3.628 5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.721 -4.607 6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.957 -2.887 8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.636 -2.632 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.085 -0.810 6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.381 -1.217 6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.860 -0.429 8.666 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.111 0.766 7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.242 0.320 8.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.173 -1.149 7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.879 -1.093 9.442 1.00 0.00 H new ATOM 763 N ASP A 48 3.683 -2.843 3.212 1.00 0.00 N ATOM 764 CA ASP A 48 2.912 -2.080 2.235 1.00 0.00 C ATOM 765 C ASP A 48 1.898 -1.167 2.925 1.00 0.00 C ATOM 766 O ASP A 48 1.386 -1.488 3.997 1.00 0.00 O ATOM 767 CB ASP A 48 2.188 -3.043 1.291 1.00 0.00 C ATOM 768 CG ASP A 48 3.082 -4.239 0.984 1.00 0.00 C ATOM 769 OD1 ASP A 48 4.122 -4.037 0.380 1.00 0.00 O ATOM 770 OD2 ASP A 48 2.714 -5.341 1.358 1.00 0.00 O ATOM 0 H ASP A 48 3.404 -3.820 3.301 1.00 0.00 H new ATOM 0 HA ASP A 48 3.599 -1.453 1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.257 -3.381 1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.923 -2.529 0.367 1.00 0.00 H new ATOM 775 N ILE A 49 1.615 -0.023 2.296 1.00 0.00 N ATOM 776 CA ILE A 49 0.661 0.951 2.838 1.00 0.00 C ATOM 777 C ILE A 49 -0.527 1.106 1.892 1.00 0.00 C ATOM 778 O ILE A 49 -0.345 1.350 0.704 1.00 0.00 O ATOM 779 CB ILE A 49 1.350 2.312 3.008 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.758 2.128 3.604 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.510 3.207 3.923 1.00 0.00 C ATOM 782 CD1 ILE A 49 2.687 1.480 4.993 1.00 0.00 C ATOM 0 H ILE A 49 2.034 0.253 1.408 1.00 0.00 H new ATOM 0 HA ILE A 49 0.308 0.594 3.805 1.00 0.00 H new ATOM 0 HB ILE A 49 1.443 2.784 2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.360 1.508 2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.256 3.095 3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.003 4.172 4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.476 3.355 3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.404 2.732 4.899 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.695 1.361 5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.105 2.115 5.661 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.211 0.503 4.915 1.00 0.00 H new ATOM 794 N CYS A 50 -1.739 0.969 2.429 1.00 0.00 N ATOM 795 CA CYS A 50 -2.961 1.096 1.624 1.00 0.00 C ATOM 796 C CYS A 50 -3.583 2.477 1.816 1.00 0.00 C ATOM 797 O CYS A 50 -3.375 3.123 2.843 1.00 0.00 O ATOM 798 CB CYS A 50 -3.968 0.030 2.053 1.00 0.00 C ATOM 799 SG CYS A 50 -3.253 -1.614 1.798 1.00 0.00 S ATOM 0 H CYS A 50 -1.904 0.770 3.416 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.703 0.963 0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.232 0.165 3.102 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.888 0.131 1.478 1.00 0.00 H new ATOM 804 N ALA A 51 -4.349 2.926 0.824 1.00 0.00 N ATOM 805 CA ALA A 51 -4.993 4.233 0.905 1.00 0.00 C ATOM 806 C ALA A 51 -6.034 4.395 -0.204 1.00 0.00 C ATOM 807 O ALA A 51 -5.825 3.955 -1.333 1.00 0.00 O ATOM 808 CB ALA A 51 -3.931 5.339 0.812 1.00 0.00 C ATOM 0 H ALA A 51 -4.537 2.410 -0.036 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.508 4.312 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.415 6.314 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.223 5.233 1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.401 5.256 -0.137 1.00 0.00 H new ATOM 814 N ASP A 52 -7.163 5.020 0.133 1.00 0.00 N ATOM 815 CA ASP A 52 -8.247 5.225 -0.831 1.00 0.00 C ATOM 816 C ASP A 52 -8.113 6.586 -1.539 1.00 0.00 C ATOM 817 O ASP A 52 -7.774 7.580 -0.897 1.00 0.00 O ATOM 818 CB ASP A 52 -9.585 5.174 -0.083 1.00 0.00 C ATOM 819 CG ASP A 52 -10.742 5.462 -1.035 1.00 0.00 C ATOM 820 OD1 ASP A 52 -10.728 6.514 -1.652 1.00 0.00 O ATOM 821 OD2 ASP A 52 -11.624 4.626 -1.131 1.00 0.00 O ATOM 0 H ASP A 52 -7.351 5.393 1.064 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.197 4.442 -1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.717 4.192 0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.583 5.903 0.727 1.00 0.00 H new ATOM 826 N PRO A 53 -8.384 6.668 -2.833 1.00 0.00 N ATOM 827 CA PRO A 53 -8.294 7.962 -3.586 1.00 0.00 C ATOM 828 C PRO A 53 -9.370 8.948 -3.145 1.00 0.00 C ATOM 829 O PRO A 53 -10.346 9.176 -3.858 1.00 0.00 O ATOM 830 CB PRO A 53 -8.483 7.545 -5.053 1.00 0.00 C ATOM 831 CG PRO A 53 -9.276 6.285 -4.984 1.00 0.00 C ATOM 832 CD PRO A 53 -8.795 5.564 -3.727 1.00 0.00 C ATOM 0 HA PRO A 53 -7.350 8.479 -3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.008 8.314 -5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.525 7.384 -5.547 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.344 6.497 -4.930 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.117 5.673 -5.872 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.587 4.961 -3.282 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.965 4.892 -3.943 1.00 0.00 H new ATOM 840 N LYS A 54 -9.177 9.530 -1.965 1.00 0.00 N ATOM 841 CA LYS A 54 -10.128 10.494 -1.423 1.00 0.00 C ATOM 842 C LYS A 54 -9.400 11.461 -0.492 1.00 0.00 C ATOM 843 O LYS A 54 -9.718 12.650 -0.441 1.00 0.00 O ATOM 844 CB LYS A 54 -11.248 9.736 -0.673 1.00 0.00 C ATOM 845 CG LYS A 54 -12.622 10.384 -0.927 1.00 0.00 C ATOM 846 CD LYS A 54 -13.186 9.949 -2.294 1.00 0.00 C ATOM 847 CE LYS A 54 -13.852 8.567 -2.199 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.853 8.561 -1.094 1.00 0.00 N ATOM 0 H LYS A 54 -8.371 9.351 -1.366 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.579 11.072 -2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.268 8.696 -0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.036 9.733 0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.315 10.100 -0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.529 11.470 -0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.912 10.684 -2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.383 9.920 -3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.338 8.322 -3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.097 7.801 -2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.573 7.835 -1.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.376 8.351 -0.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.310 9.494 -1.034 1.00 0.00 H new ATOM 862 N LYS A 55 -8.406 10.944 0.225 1.00 0.00 N ATOM 863 CA LYS A 55 -7.617 11.773 1.133 1.00 0.00 C ATOM 864 C LYS A 55 -6.586 12.555 0.312 1.00 0.00 C ATOM 865 O LYS A 55 -6.027 12.037 -0.651 1.00 0.00 O ATOM 866 CB LYS A 55 -6.932 10.899 2.222 1.00 0.00 C ATOM 867 CG LYS A 55 -7.436 9.448 2.126 1.00 0.00 C ATOM 868 CD LYS A 55 -6.870 8.603 3.284 1.00 0.00 C ATOM 869 CE LYS A 55 -7.720 8.778 4.550 1.00 0.00 C ATOM 870 NZ LYS A 55 -9.149 8.477 4.246 1.00 0.00 N ATOM 0 H LYS A 55 -8.129 9.963 0.196 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.268 12.476 1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.850 10.926 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.146 11.302 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.525 9.432 2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.136 9.015 1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.849 7.552 2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.841 8.899 3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.359 8.115 5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.625 9.797 4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.613 8.101 5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.631 9.348 3.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.201 7.772 3.484 1.00 0.00 H new ATOM 884 N LYS A 56 -6.371 13.810 0.673 1.00 0.00 N ATOM 885 CA LYS A 56 -5.445 14.666 -0.065 1.00 0.00 C ATOM 886 C LYS A 56 -4.099 13.991 -0.348 1.00 0.00 C ATOM 887 O LYS A 56 -3.674 13.919 -1.501 1.00 0.00 O ATOM 888 CB LYS A 56 -5.201 15.961 0.715 1.00 0.00 C ATOM 889 CG LYS A 56 -4.574 17.011 -0.211 1.00 0.00 C ATOM 890 CD LYS A 56 -3.928 18.119 0.625 1.00 0.00 C ATOM 891 CE LYS A 56 -3.650 19.336 -0.259 1.00 0.00 C ATOM 892 NZ LYS A 56 -3.088 20.437 0.572 1.00 0.00 N ATOM 0 H LYS A 56 -6.822 14.261 1.469 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.913 14.875 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.141 16.335 1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.542 15.768 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.827 16.544 -0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.336 17.434 -0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.586 18.398 1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.999 17.759 1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.950 19.071 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.570 19.665 -0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.899 21.264 -0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.771 20.696 1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.201 20.121 1.014 1.00 0.00 H new ATOM 906 N TRP A 57 -3.410 13.541 0.695 1.00 0.00 N ATOM 907 CA TRP A 57 -2.092 12.931 0.509 1.00 0.00 C ATOM 908 C TRP A 57 -2.129 11.751 -0.462 1.00 0.00 C ATOM 909 O TRP A 57 -1.110 11.413 -1.064 1.00 0.00 O ATOM 910 CB TRP A 57 -1.497 12.499 1.856 1.00 0.00 C ATOM 911 CG TRP A 57 -2.106 11.218 2.329 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.230 11.123 3.073 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.634 9.852 2.124 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.479 9.790 3.340 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.525 8.967 2.773 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.531 9.300 1.443 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.333 7.587 2.751 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.333 7.909 1.419 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.233 7.055 2.073 1.00 0.00 C ATOM 0 H TRP A 57 -3.731 13.584 1.662 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.450 13.693 0.067 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.418 12.378 1.758 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.664 13.280 2.598 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.835 11.954 3.405 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.271 9.455 3.889 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.167 9.950 0.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.030 6.933 3.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.516 7.496 0.895 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.076 5.987 2.053 1.00 0.00 H new ATOM 930 N VAL A 58 -3.292 11.130 -0.629 1.00 0.00 N ATOM 931 CA VAL A 58 -3.392 10.004 -1.552 1.00 0.00 C ATOM 932 C VAL A 58 -3.373 10.508 -2.989 1.00 0.00 C ATOM 933 O VAL A 58 -2.556 10.071 -3.794 1.00 0.00 O ATOM 934 CB VAL A 58 -4.684 9.214 -1.302 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.851 8.126 -2.370 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.623 8.562 0.081 1.00 0.00 C ATOM 0 H VAL A 58 -4.158 11.378 -0.151 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.540 9.345 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.533 9.896 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.771 7.571 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.900 8.588 -3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.002 7.444 -2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.540 8.001 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.769 7.886 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.516 9.334 0.843 1.00 0.00 H new ATOM 946 N GLN A 59 -4.279 11.426 -3.299 1.00 0.00 N ATOM 947 CA GLN A 59 -4.366 11.980 -4.645 1.00 0.00 C ATOM 948 C GLN A 59 -3.091 12.742 -5.009 1.00 0.00 C ATOM 949 O GLN A 59 -2.687 12.773 -6.170 1.00 0.00 O ATOM 950 CB GLN A 59 -5.588 12.911 -4.750 1.00 0.00 C ATOM 951 CG GLN A 59 -6.715 12.404 -3.835 1.00 0.00 C ATOM 952 CD GLN A 59 -8.065 12.931 -4.314 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.655 12.377 -5.243 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.592 13.974 -3.734 1.00 0.00 N ATOM 0 H GLN A 59 -4.961 11.802 -2.641 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.480 11.155 -5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.308 13.926 -4.468 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.937 12.952 -5.782 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.724 11.314 -3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.534 12.728 -2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.102 14.432 -2.965 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.494 14.332 -4.049 1.00 0.00 H new ATOM 963 N ASP A 60 -2.476 13.369 -4.015 1.00 0.00 N ATOM 964 CA ASP A 60 -1.261 14.144 -4.249 1.00 0.00 C ATOM 965 C ASP A 60 -0.058 13.240 -4.523 1.00 0.00 C ATOM 966 O ASP A 60 0.852 13.620 -5.260 1.00 0.00 O ATOM 967 CB ASP A 60 -0.965 15.023 -3.031 1.00 0.00 C ATOM 968 CG ASP A 60 0.055 16.096 -3.398 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.266 16.934 -4.225 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.143 16.065 -2.845 1.00 0.00 O ATOM 0 H ASP A 60 -2.794 13.358 -3.046 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.428 14.765 -5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.884 15.489 -2.677 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.583 14.410 -2.214 1.00 0.00 H new ATOM 975 N SER A 61 -0.043 12.053 -3.920 1.00 0.00 N ATOM 976 CA SER A 61 1.077 11.133 -4.108 1.00 0.00 C ATOM 977 C SER A 61 1.120 10.580 -5.534 1.00 0.00 C ATOM 978 O SER A 61 2.157 10.640 -6.192 1.00 0.00 O ATOM 979 CB SER A 61 0.988 9.976 -3.110 1.00 0.00 C ATOM 980 OG SER A 61 1.718 8.867 -3.618 1.00 0.00 O ATOM 0 H SER A 61 -0.781 11.709 -3.306 1.00 0.00 H new ATOM 0 HA SER A 61 1.994 11.695 -3.934 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.391 10.281 -2.144 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.054 9.698 -2.948 1.00 0.00 H new ATOM 0 HG SER A 61 1.241 8.037 -3.407 1.00 0.00 H new ATOM 986 N MET A 62 -0.002 10.041 -6.012 1.00 0.00 N ATOM 987 CA MET A 62 -0.037 9.489 -7.365 1.00 0.00 C ATOM 988 C MET A 62 0.213 10.594 -8.389 1.00 0.00 C ATOM 989 O MET A 62 0.945 10.400 -9.360 1.00 0.00 O ATOM 990 CB MET A 62 -1.385 8.809 -7.644 1.00 0.00 C ATOM 991 CG MET A 62 -2.525 9.636 -7.048 1.00 0.00 C ATOM 992 SD MET A 62 -4.074 9.215 -7.880 1.00 0.00 S ATOM 993 CE MET A 62 -4.482 7.776 -6.863 1.00 0.00 C ATOM 0 H MET A 62 -0.879 9.975 -5.496 1.00 0.00 H new ATOM 0 HA MET A 62 0.749 8.739 -7.449 1.00 0.00 H new ATOM 0 HB2 MET A 62 -1.529 8.698 -8.719 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.391 7.806 -7.216 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.609 9.441 -5.979 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.316 10.700 -7.163 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.125 7.101 -7.428 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.566 7.256 -6.585 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.002 8.103 -5.962 1.00 0.00 H new ATOM 1003 N LYS A 63 -0.391 11.756 -8.158 1.00 0.00 N ATOM 1004 CA LYS A 63 -0.216 12.887 -9.061 1.00 0.00 C ATOM 1005 C LYS A 63 1.260 13.261 -9.128 1.00 0.00 C ATOM 1006 O LYS A 63 1.785 13.602 -10.189 1.00 0.00 O ATOM 1007 CB LYS A 63 -1.040 14.081 -8.561 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.746 15.333 -9.401 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.954 15.032 -10.892 1.00 0.00 C ATOM 1010 CE LYS A 63 -1.161 16.340 -11.661 1.00 0.00 C ATOM 1011 NZ LYS A 63 -2.431 16.981 -11.219 1.00 0.00 N ATOM 0 H LYS A 63 -1.000 11.938 -7.361 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.561 12.613 -10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.102 13.843 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.808 14.277 -7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.400 16.149 -9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.278 15.663 -9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.090 14.499 -11.289 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.818 14.381 -11.024 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.322 17.013 -11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.194 16.143 -12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.845 17.513 -12.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.100 16.248 -10.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.236 17.630 -10.430 1.00 0.00 H new ATOM 1025 N TYR A 64 1.923 13.182 -7.980 1.00 0.00 N ATOM 1026 CA TYR A 64 3.342 13.500 -7.893 1.00 0.00 C ATOM 1027 C TYR A 64 4.149 12.509 -8.737 1.00 0.00 C ATOM 1028 O TYR A 64 5.037 12.902 -9.494 1.00 0.00 O ATOM 1029 CB TYR A 64 3.769 13.457 -6.406 1.00 0.00 C ATOM 1030 CG TYR A 64 5.207 12.991 -6.251 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.224 13.604 -6.991 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.514 11.945 -5.369 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.549 13.172 -6.849 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.837 11.515 -5.227 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.856 12.129 -5.966 1.00 0.00 C ATOM 1036 OH TYR A 64 9.161 11.704 -5.828 1.00 0.00 O ATOM 0 H TYR A 64 1.499 12.900 -7.096 1.00 0.00 H new ATOM 0 HA TYR A 64 3.534 14.499 -8.285 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.657 14.448 -5.966 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.108 12.788 -5.856 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.988 14.409 -7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.728 11.471 -4.799 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.334 13.644 -7.421 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.073 10.709 -4.547 1.00 0.00 H new ATOM 0 HH TYR A 64 9.200 10.974 -5.175 1.00 0.00 H new ATOM 1046 N LEU A 65 3.833 11.228 -8.595 1.00 0.00 N ATOM 1047 CA LEU A 65 4.533 10.189 -9.340 1.00 0.00 C ATOM 1048 C LEU A 65 4.289 10.341 -10.836 1.00 0.00 C ATOM 1049 O LEU A 65 5.043 9.817 -11.657 1.00 0.00 O ATOM 1050 CB LEU A 65 4.054 8.808 -8.875 1.00 0.00 C ATOM 1051 CG LEU A 65 4.550 8.544 -7.430 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.643 7.505 -6.716 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.020 8.036 -7.462 1.00 0.00 C ATOM 0 H LEU A 65 3.100 10.885 -7.974 1.00 0.00 H new ATOM 0 HA LEU A 65 5.602 10.287 -9.152 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.966 8.758 -8.911 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.431 8.036 -9.546 1.00 0.00 H new ATOM 0 HG LEU A 65 4.504 9.479 -6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.010 7.336 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.621 7.883 -6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.660 6.566 -7.270 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.364 7.852 -6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.073 7.111 -8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.655 8.789 -7.929 1.00 0.00 H new ATOM 1065 N ASP A 66 3.230 11.058 -11.182 1.00 0.00 N ATOM 1066 CA ASP A 66 2.888 11.275 -12.581 1.00 0.00 C ATOM 1067 C ASP A 66 3.979 12.078 -13.286 1.00 0.00 C ATOM 1068 O ASP A 66 4.234 11.887 -14.475 1.00 0.00 O ATOM 1069 CB ASP A 66 1.554 12.018 -12.668 1.00 0.00 C ATOM 1070 CG ASP A 66 0.933 11.834 -14.050 1.00 0.00 C ATOM 1071 OD1 ASP A 66 1.664 11.490 -14.965 1.00 0.00 O ATOM 1072 OD2 ASP A 66 -0.263 12.038 -14.174 1.00 0.00 O ATOM 0 H ASP A 66 2.594 11.498 -10.517 1.00 0.00 H new ATOM 0 HA ASP A 66 2.802 10.308 -13.077 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.872 11.646 -11.903 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.707 13.079 -12.469 1.00 0.00 H new ATOM 1077 N GLN A 67 4.615 12.978 -12.545 1.00 0.00 N ATOM 1078 CA GLN A 67 5.672 13.809 -13.111 1.00 0.00 C ATOM 1079 C GLN A 67 6.864 12.956 -13.537 1.00 0.00 C ATOM 1080 O GLN A 67 7.312 13.030 -14.681 1.00 0.00 O ATOM 1081 CB GLN A 67 6.128 14.845 -12.081 1.00 0.00 C ATOM 1082 CG GLN A 67 4.913 15.617 -11.563 1.00 0.00 C ATOM 1083 CD GLN A 67 5.348 16.620 -10.500 1.00 0.00 C ATOM 1084 OE1 GLN A 67 6.259 17.414 -10.730 1.00 0.00 O ATOM 1085 NE2 GLN A 67 4.746 16.631 -9.342 1.00 0.00 N ATOM 0 H GLN A 67 4.420 13.151 -11.559 1.00 0.00 H new ATOM 0 HA GLN A 67 5.274 14.316 -13.990 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.638 14.351 -11.254 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.844 15.532 -12.533 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.424 16.137 -12.387 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.183 14.924 -11.144 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.991 15.972 -9.153 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.031 17.299 -8.626 1.00 0.00 H new ATOM 1094 N LYS A 68 7.376 12.150 -12.611 1.00 0.00 N ATOM 1095 CA LYS A 68 8.521 11.292 -12.907 1.00 0.00 C ATOM 1096 C LYS A 68 8.073 10.022 -13.627 1.00 0.00 C ATOM 1097 O LYS A 68 8.856 9.398 -14.343 1.00 0.00 O ATOM 1098 CB LYS A 68 9.254 10.925 -11.612 1.00 0.00 C ATOM 1099 CG LYS A 68 8.285 10.232 -10.647 1.00 0.00 C ATOM 1100 CD LYS A 68 8.936 10.082 -9.262 1.00 0.00 C ATOM 1101 CE LYS A 68 9.914 8.902 -9.266 1.00 0.00 C ATOM 1102 NZ LYS A 68 10.423 8.678 -7.883 1.00 0.00 N ATOM 0 H LYS A 68 7.021 12.072 -11.658 1.00 0.00 H new ATOM 0 HA LYS A 68 9.200 11.841 -13.560 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.095 10.267 -11.833 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.664 11.822 -11.148 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.365 10.811 -10.564 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.010 9.252 -11.037 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.462 10.999 -8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.167 9.925 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.417 8.004 -9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.744 9.105 -9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.087 7.878 -7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.912 9.533 -7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.626 8.466 -7.250 1.00 0.00 H new ATOM 1116 N SER A 69 6.810 9.650 -13.442 1.00 0.00 N ATOM 1117 CA SER A 69 6.277 8.456 -14.092 1.00 0.00 C ATOM 1118 C SER A 69 7.229 7.271 -13.913 1.00 0.00 C ATOM 1119 O SER A 69 8.064 7.007 -14.777 1.00 0.00 O ATOM 1120 CB SER A 69 6.088 8.731 -15.585 1.00 0.00 C ATOM 1121 OG SER A 69 7.256 9.357 -16.099 1.00 0.00 O ATOM 0 H SER A 69 6.143 10.151 -12.855 1.00 0.00 H new ATOM 0 HA SER A 69 5.320 8.209 -13.633 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.897 7.799 -16.117 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.220 9.371 -15.742 1.00 0.00 H new ATOM 0 HG SER A 69 8.049 8.974 -15.668 1.00 0.00 H new ATOM 1127 N PRO A 70 7.129 6.560 -12.815 1.00 0.00 N ATOM 1128 CA PRO A 70 8.007 5.392 -12.533 1.00 0.00 C ATOM 1129 C PRO A 70 7.473 4.097 -13.148 1.00 0.00 C ATOM 1130 O PRO A 70 8.185 3.408 -13.880 1.00 0.00 O ATOM 1131 CB PRO A 70 7.996 5.327 -11.005 1.00 0.00 C ATOM 1132 CG PRO A 70 6.627 5.802 -10.616 1.00 0.00 C ATOM 1133 CD PRO A 70 6.172 6.784 -11.714 1.00 0.00 C ATOM 0 HA PRO A 70 9.003 5.502 -12.962 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.179 4.313 -10.650 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.772 5.960 -10.576 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.935 4.964 -10.535 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.649 6.292 -9.643 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.148 6.584 -12.029 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.202 7.816 -11.364 1.00 0.00 H new ATOM 1141 N THR A 71 6.223 3.768 -12.838 1.00 0.00 N ATOM 1142 CA THR A 71 5.612 2.550 -13.359 1.00 0.00 C ATOM 1143 C THR A 71 5.518 2.599 -14.892 1.00 0.00 C ATOM 1144 O THR A 71 5.983 1.683 -15.569 1.00 0.00 O ATOM 1145 CB THR A 71 4.211 2.351 -12.720 1.00 0.00 C ATOM 1146 OG1 THR A 71 3.878 3.506 -11.965 1.00 0.00 O ATOM 1147 CG2 THR A 71 4.210 1.132 -11.785 1.00 0.00 C ATOM 0 H THR A 71 5.617 4.323 -12.233 1.00 0.00 H new ATOM 0 HA THR A 71 6.240 1.699 -13.095 1.00 0.00 H new ATOM 0 HB THR A 71 3.483 2.189 -13.515 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.162 3.382 -11.035 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.219 1.010 -11.347 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.469 0.238 -12.352 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.941 1.282 -10.991 1.00 0.00 H new ATOM 1155 N PRO A 72 4.935 3.634 -15.450 1.00 0.00 N ATOM 1156 CA PRO A 72 4.799 3.764 -16.931 1.00 0.00 C ATOM 1157 C PRO A 72 6.082 3.373 -17.664 1.00 0.00 C ATOM 1158 O PRO A 72 7.162 3.344 -17.072 1.00 0.00 O ATOM 1159 CB PRO A 72 4.475 5.248 -17.126 1.00 0.00 C ATOM 1160 CG PRO A 72 3.749 5.644 -15.879 1.00 0.00 C ATOM 1161 CD PRO A 72 4.343 4.790 -14.748 1.00 0.00 C ATOM 0 HA PRO A 72 4.037 3.100 -17.339 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.382 5.837 -17.260 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.858 5.406 -18.011 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.879 6.707 -15.674 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.678 5.467 -15.979 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.094 5.342 -14.183 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.577 4.477 -14.039 1.00 0.00 H new ATOM 1169 N LYS A 73 5.954 3.073 -18.952 1.00 0.00 N ATOM 1170 CA LYS A 73 7.109 2.685 -19.754 1.00 0.00 C ATOM 1171 C LYS A 73 7.841 1.510 -19.108 1.00 0.00 C ATOM 1172 O LYS A 73 9.020 1.611 -18.771 1.00 0.00 O ATOM 1173 CB LYS A 73 8.067 3.871 -19.897 1.00 0.00 C ATOM 1174 CG LYS A 73 7.267 5.148 -20.165 1.00 0.00 C ATOM 1175 CD LYS A 73 6.399 4.960 -21.412 1.00 0.00 C ATOM 1176 CE LYS A 73 5.907 6.322 -21.905 1.00 0.00 C ATOM 1177 NZ LYS A 73 4.991 6.129 -23.064 1.00 0.00 N ATOM 0 H LYS A 73 5.070 3.091 -19.460 1.00 0.00 H new ATOM 0 HA LYS A 73 6.758 2.381 -20.740 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.659 3.985 -18.989 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.767 3.690 -20.713 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.640 5.383 -19.305 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.944 5.990 -20.305 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.972 4.464 -22.195 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.550 4.316 -21.183 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.389 6.846 -21.102 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.754 6.943 -22.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.656 7.055 -23.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.500 5.646 -23.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.177 5.552 -22.771 1.00 0.00 H new ATOM 1191 N PRO A 74 7.162 0.406 -18.931 1.00 0.00 N ATOM 1192 CA PRO A 74 7.755 -0.815 -18.311 1.00 0.00 C ATOM 1193 C PRO A 74 8.695 -1.545 -19.273 1.00 0.00 C ATOM 1194 O PRO A 74 8.893 -1.047 -20.369 1.00 0.00 O ATOM 1195 CB PRO A 74 6.526 -1.669 -17.973 1.00 0.00 C ATOM 1196 CG PRO A 74 5.504 -1.282 -18.994 1.00 0.00 C ATOM 1197 CD PRO A 74 5.751 0.200 -19.304 1.00 0.00 C ATOM 1198 OXT PRO A 74 9.202 -2.589 -18.896 1.00 0.00 O ATOM 0 HA PRO A 74 8.372 -0.588 -17.441 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.756 -2.733 -18.026 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.171 -1.470 -16.962 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.602 -1.890 -19.893 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.495 -1.437 -18.613 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.579 0.423 -20.357 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.087 0.845 -18.729 1.00 0.00 H new TER 1206 PRO A 74 ATOM 1207 N VAL B 208 -12.122 4.950 14.886 1.00 0.00 N ATOM 1208 CA VAL B 208 -11.771 4.390 13.551 1.00 0.00 C ATOM 1209 C VAL B 208 -11.664 5.525 12.538 1.00 0.00 C ATOM 1210 O VAL B 208 -10.808 5.502 11.654 1.00 0.00 O ATOM 1211 CB VAL B 208 -12.854 3.402 13.115 1.00 0.00 C ATOM 1212 CG1 VAL B 208 -14.188 4.136 12.971 1.00 0.00 C ATOM 1213 CG2 VAL B 208 -12.466 2.781 11.771 1.00 0.00 C ATOM 0 HA VAL B 208 -10.814 3.871 13.609 1.00 0.00 H new ATOM 0 HB VAL B 208 -12.951 2.617 13.864 1.00 0.00 H new ATOM 0 HG11 VAL B 208 -14.959 3.431 12.660 1.00 0.00 H new ATOM 0 HG12 VAL B 208 -14.465 4.578 13.928 1.00 0.00 H new ATOM 0 HG13 VAL B 208 -14.092 4.922 12.222 1.00 0.00 H new ATOM 0 HG21 VAL B 208 -13.237 2.077 11.459 1.00 0.00 H new ATOM 0 HG22 VAL B 208 -12.368 3.567 11.022 1.00 0.00 H new ATOM 0 HG23 VAL B 208 -11.516 2.257 11.873 1.00 0.00 H new ATOM 1225 N GLU B 209 -12.539 6.516 12.674 1.00 0.00 N ATOM 1226 CA GLU B 209 -12.536 7.658 11.764 1.00 0.00 C ATOM 1227 C GLU B 209 -11.449 8.653 12.158 1.00 0.00 C ATOM 1228 O GLU B 209 -11.136 9.575 11.406 1.00 0.00 O ATOM 1229 CB GLU B 209 -13.901 8.350 11.792 1.00 0.00 C ATOM 1230 CG GLU B 209 -13.927 9.478 10.758 1.00 0.00 C ATOM 1231 CD GLU B 209 -15.365 9.920 10.506 1.00 0.00 C ATOM 1232 OE1 GLU B 209 -15.882 10.676 11.313 1.00 0.00 O ATOM 1233 OE2 GLU B 209 -15.928 9.497 9.511 1.00 0.00 O ATOM 0 H GLU B 209 -13.255 6.553 13.400 1.00 0.00 H new ATOM 0 HA GLU B 209 -12.333 7.297 10.756 1.00 0.00 H new ATOM 0 HB2 GLU B 209 -14.690 7.629 11.578 1.00 0.00 H new ATOM 0 HB3 GLU B 209 -14.096 8.750 12.787 1.00 0.00 H new ATOM 0 HG2 GLU B 209 -13.335 10.322 11.113 1.00 0.00 H new ATOM 0 HG3 GLU B 209 -13.473 9.140 9.827 1.00 0.00 H new ATOM 1240 N THR B 210 -10.877 8.458 13.342 1.00 0.00 N ATOM 1241 CA THR B 210 -9.826 9.345 13.828 1.00 0.00 C ATOM 1242 C THR B 210 -8.531 9.122 13.052 1.00 0.00 C ATOM 1243 O THR B 210 -7.448 9.067 13.636 1.00 0.00 O ATOM 1244 CB THR B 210 -9.579 9.096 15.318 1.00 0.00 C ATOM 1245 OG1 THR B 210 -8.505 9.913 15.760 1.00 0.00 O ATOM 1246 CG2 THR B 210 -9.231 7.625 15.541 1.00 0.00 C ATOM 0 H THR B 210 -11.121 7.699 13.979 1.00 0.00 H new ATOM 0 HA THR B 210 -10.151 10.375 13.680 1.00 0.00 H new ATOM 0 HB THR B 210 -10.479 9.342 15.882 1.00 0.00 H new ATOM 0 HG1 THR B 210 -7.679 9.641 15.307 1.00 0.00 H new ATOM 0 HG21 THR B 210 -9.055 7.449 16.602 1.00 0.00 H new ATOM 0 HG22 THR B 210 -10.057 7.000 15.202 1.00 0.00 H new ATOM 0 HG23 THR B 210 -8.332 7.374 14.978 1.00 0.00 H new ATOM 1254 N PHE B 211 -8.650 8.994 11.734 1.00 0.00 N ATOM 1255 CA PHE B 211 -7.480 8.778 10.889 1.00 0.00 C ATOM 1256 C PHE B 211 -6.730 10.095 10.690 1.00 0.00 C ATOM 1257 O PHE B 211 -6.785 10.697 9.619 1.00 0.00 O ATOM 1258 CB PHE B 211 -7.919 8.198 9.527 1.00 0.00 C ATOM 1259 CG PHE B 211 -7.974 6.681 9.589 1.00 0.00 C ATOM 1260 CD1 PHE B 211 -8.399 6.035 10.759 1.00 0.00 C ATOM 1261 CD2 PHE B 211 -7.591 5.922 8.474 1.00 0.00 C ATOM 1262 CE1 PHE B 211 -8.440 4.637 10.810 1.00 0.00 C ATOM 1263 CE2 PHE B 211 -7.635 4.526 8.529 1.00 0.00 C ATOM 1264 CZ PHE B 211 -8.058 3.885 9.696 1.00 0.00 C ATOM 0 H PHE B 211 -9.536 9.036 11.231 1.00 0.00 H new ATOM 0 HA PHE B 211 -6.812 8.067 11.375 1.00 0.00 H new ATOM 0 HB2 PHE B 211 -8.898 8.593 9.255 1.00 0.00 H new ATOM 0 HB3 PHE B 211 -7.222 8.511 8.750 1.00 0.00 H new ATOM 0 HD1 PHE B 211 -8.694 6.616 11.620 1.00 0.00 H new ATOM 0 HD2 PHE B 211 -7.262 6.416 7.572 1.00 0.00 H new ATOM 0 HE1 PHE B 211 -8.767 4.139 11.711 1.00 0.00 H new ATOM 0 HE2 PHE B 211 -7.342 3.943 7.669 1.00 0.00 H new ATOM 0 HZ PHE B 211 -8.090 2.806 9.737 1.00 0.00 H new ATOM 1274 N GLY B 212 -6.031 10.532 11.735 1.00 0.00 N ATOM 1275 CA GLY B 212 -5.273 11.776 11.671 1.00 0.00 C ATOM 1276 C GLY B 212 -4.190 11.808 12.744 1.00 0.00 C ATOM 1277 O GLY B 212 -3.236 11.031 12.697 1.00 0.00 O ATOM 0 H GLY B 212 -5.975 10.046 12.630 1.00 0.00 H new ATOM 0 HA2 GLY B 212 -4.818 11.879 10.686 1.00 0.00 H new ATOM 0 HA3 GLY B 212 -5.946 12.624 11.802 1.00 0.00 H new ATOM 1281 N THR B 213 -4.344 12.714 13.706 1.00 0.00 N ATOM 1282 CA THR B 213 -3.375 12.847 14.791 1.00 0.00 C ATOM 1283 C THR B 213 -2.064 13.439 14.273 1.00 0.00 C ATOM 1284 O THR B 213 -2.069 14.396 13.499 1.00 0.00 O ATOM 1285 CB THR B 213 -3.115 11.478 15.441 1.00 0.00 C ATOM 1286 OG1 THR B 213 -4.327 10.736 15.471 1.00 0.00 O ATOM 1287 CG2 THR B 213 -2.597 11.664 16.872 1.00 0.00 C ATOM 0 H THR B 213 -5.128 13.365 13.757 1.00 0.00 H new ATOM 0 HA THR B 213 -3.788 13.523 15.540 1.00 0.00 H new ATOM 0 HB THR B 213 -2.366 10.942 14.859 1.00 0.00 H new ATOM 0 HG1 THR B 213 -4.165 9.862 15.883 1.00 0.00 H new ATOM 0 HG21 THR B 213 -2.416 10.688 17.323 1.00 0.00 H new ATOM 0 HG22 THR B 213 -1.667 12.232 16.851 1.00 0.00 H new ATOM 0 HG23 THR B 213 -3.339 12.204 17.460 1.00 0.00 H new ATOM 1295 N THR B 214 -0.945 12.867 14.709 1.00 0.00 N ATOM 1296 CA THR B 214 0.365 13.350 14.286 1.00 0.00 C ATOM 1297 C THR B 214 0.601 13.056 12.808 1.00 0.00 C ATOM 1298 O THR B 214 -0.221 12.415 12.152 1.00 0.00 O ATOM 1299 CB THR B 214 1.460 12.684 15.120 1.00 0.00 C ATOM 1300 OG1 THR B 214 2.733 13.114 14.658 1.00 0.00 O ATOM 1301 CG2 THR B 214 1.352 11.166 14.984 1.00 0.00 C ATOM 0 H THR B 214 -0.919 12.074 15.350 1.00 0.00 H new ATOM 0 HA THR B 214 0.396 14.429 14.436 1.00 0.00 H new ATOM 0 HB THR B 214 1.341 12.963 16.167 1.00 0.00 H new ATOM 0 HG1 THR B 214 3.436 12.689 15.193 1.00 0.00 H new ATOM 0 HG21 THR B 214 2.132 10.691 15.578 1.00 0.00 H new ATOM 0 HG22 THR B 214 0.375 10.838 15.339 1.00 0.00 H new ATOM 0 HG23 THR B 214 1.471 10.885 13.938 1.00 0.00 H new ATOM 1309 N SER B 215 1.731 13.529 12.289 1.00 0.00 N ATOM 1310 CA SER B 215 2.067 13.313 10.886 1.00 0.00 C ATOM 1311 C SER B 215 2.378 11.839 10.630 1.00 0.00 C ATOM 1312 O SER B 215 1.507 10.982 10.773 1.00 0.00 O ATOM 1313 CB SER B 215 3.273 14.174 10.500 1.00 0.00 C ATOM 1314 OG SER B 215 3.004 15.531 10.826 1.00 0.00 O ATOM 0 H SER B 215 2.425 14.061 12.815 1.00 0.00 H new ATOM 0 HA SER B 215 1.211 13.599 10.276 1.00 0.00 H new ATOM 0 HB2 SER B 215 4.163 13.831 11.027 1.00 0.00 H new ATOM 0 HB3 SER B 215 3.477 14.078 9.434 1.00 0.00 H new ATOM 0 HG SER B 215 3.775 16.085 10.582 1.00 0.00 H new HETATM 1320 N TYS B 216 3.621 11.552 10.248 1.00 0.00 N HETATM 1321 CA TYS B 216 4.031 10.177 9.974 1.00 0.00 C HETATM 1322 CB TYS B 216 3.535 9.765 8.565 1.00 0.00 C HETATM 1323 CG TYS B 216 3.003 8.342 8.573 1.00 0.00 C HETATM 1324 CD1 TYS B 216 3.571 7.371 7.737 1.00 0.00 C HETATM 1325 CD2 TYS B 216 1.937 7.998 9.417 1.00 0.00 C HETATM 1326 CE1 TYS B 216 3.074 6.061 7.747 1.00 0.00 C HETATM 1327 CE2 TYS B 216 1.443 6.690 9.426 1.00 0.00 C HETATM 1328 CZ TYS B 216 2.011 5.721 8.592 1.00 0.00 C HETATM 1329 OH TYS B 216 1.523 4.433 8.600 1.00 0.00 O HETATM 1330 S TYS B 216 1.075 3.788 9.920 1.00 0.00 S HETATM 1331 O1 TYS B 216 -0.401 3.936 10.069 1.00 0.00 O HETATM 1332 O2 TYS B 216 1.430 2.342 9.912 1.00 0.00 O HETATM 1333 O3 TYS B 216 1.759 4.462 11.058 1.00 0.00 O HETATM 1334 C TYS B 216 5.554 10.057 10.078 1.00 0.00 C HETATM 1335 O TYS B 216 6.289 10.857 9.500 1.00 0.00 O HETATM 0 HO3 TYS B 216 2.725 4.479 10.895 1.00 0.00 H new HETATM 0 HE2 TYS B 216 0.615 6.425 10.083 1.00 0.00 H new HETATM 0 HE1 TYS B 216 3.515 5.306 7.096 1.00 0.00 H new HETATM 0 HD2 TYS B 216 1.493 8.752 10.067 1.00 0.00 H new HETATM 0 HD1 TYS B 216 4.399 7.635 7.079 1.00 0.00 H new HETATM 0 HB3 TYS B 216 2.752 10.448 8.236 1.00 0.00 H new HETATM 0 HB2 TYS B 216 4.352 9.848 7.849 1.00 0.00 H new HETATM 0 HA TYS B 216 3.588 9.505 10.709 1.00 0.00 H new HETATM 1344 N TYS B 217 6.017 9.064 10.835 1.00 0.00 N HETATM 1345 CA TYS B 217 7.451 8.861 11.028 1.00 0.00 C HETATM 1346 CB TYS B 217 8.088 8.213 9.790 1.00 0.00 C HETATM 1347 CG TYS B 217 7.291 6.997 9.350 1.00 0.00 C HETATM 1348 CD1 TYS B 217 6.837 6.899 8.026 1.00 0.00 C HETATM 1349 CD2 TYS B 217 7.013 5.964 10.259 1.00 0.00 C HETATM 1350 CE1 TYS B 217 6.110 5.777 7.614 1.00 0.00 C HETATM 1351 CE2 TYS B 217 6.283 4.843 9.844 1.00 0.00 C HETATM 1352 CZ TYS B 217 5.832 4.749 8.523 1.00 0.00 C HETATM 1353 OH TYS B 217 5.115 3.646 8.117 1.00 0.00 O HETATM 1354 S TYS B 217 4.088 3.009 9.064 1.00 0.00 S HETATM 1355 O1 TYS B 217 4.705 1.844 9.756 1.00 0.00 O HETATM 1356 O2 TYS B 217 3.653 4.013 10.074 1.00 0.00 O HETATM 1357 O3 TYS B 217 2.907 2.551 8.279 1.00 0.00 O HETATM 1358 C TYS B 217 8.142 10.192 11.307 1.00 0.00 C HETATM 1359 O TYS B 217 9.279 10.413 10.892 1.00 0.00 O HETATM 0 HO3 TYS B 217 2.085 2.855 8.717 1.00 0.00 H new HETATM 0 HE2 TYS B 217 6.066 4.043 10.551 1.00 0.00 H new HETATM 0 HE1 TYS B 217 5.760 5.703 6.584 1.00 0.00 H new HETATM 0 HD2 TYS B 217 7.365 6.034 11.288 1.00 0.00 H new HETATM 0 HD1 TYS B 217 7.051 7.699 7.317 1.00 0.00 H new HETATM 0 HB3 TYS B 217 8.134 8.938 8.977 1.00 0.00 H new HETATM 0 HB2 TYS B 217 9.114 7.920 10.014 1.00 0.00 H new HETATM 0 HA TYS B 217 7.579 8.195 11.881 1.00 0.00 H new ATOM 1368 N ASP B 218 7.445 11.078 12.014 1.00 0.00 N ATOM 1369 CA ASP B 218 8.002 12.385 12.344 1.00 0.00 C ATOM 1370 C ASP B 218 9.429 12.243 12.863 1.00 0.00 C ATOM 1371 O ASP B 218 10.287 13.081 12.584 1.00 0.00 O ATOM 1372 CB ASP B 218 7.139 13.067 13.408 1.00 0.00 C ATOM 1373 CG ASP B 218 5.671 13.029 12.996 1.00 0.00 C ATOM 1374 OD1 ASP B 218 5.258 12.024 12.440 1.00 0.00 O ATOM 1375 OD2 ASP B 218 4.982 14.004 13.243 1.00 0.00 O ATOM 0 H ASP B 218 6.502 10.916 12.366 1.00 0.00 H new ATOM 0 HA ASP B 218 8.013 12.993 11.439 1.00 0.00 H new ATOM 0 HB2 ASP B 218 7.268 12.567 14.368 1.00 0.00 H new ATOM 0 HB3 ASP B 218 7.461 14.100 13.541 1.00 0.00 H new ATOM 1380 N ASP B 219 9.674 11.180 13.621 1.00 0.00 N ATOM 1381 CA ASP B 219 10.999 10.937 14.178 1.00 0.00 C ATOM 1382 C ASP B 219 11.927 10.341 13.125 1.00 0.00 C ATOM 1383 O ASP B 219 13.138 10.556 13.165 1.00 0.00 O ATOM 1384 CB ASP B 219 10.898 9.983 15.369 1.00 0.00 C ATOM 1385 CG ASP B 219 10.072 10.622 16.480 1.00 0.00 C ATOM 1386 OD1 ASP B 219 10.439 11.698 16.920 1.00 0.00 O ATOM 1387 OD2 ASP B 219 9.085 10.024 16.875 1.00 0.00 O ATOM 0 H ASP B 219 8.976 10.476 13.863 1.00 0.00 H new ATOM 0 HA ASP B 219 11.411 11.890 14.508 1.00 0.00 H new ATOM 0 HB2 ASP B 219 10.439 9.045 15.056 1.00 0.00 H new ATOM 0 HB3 ASP B 219 11.895 9.742 15.738 1.00 0.00 H new ATOM 1392 N VAL B 220 11.346 9.592 12.189 1.00 0.00 N ATOM 1393 CA VAL B 220 12.114 8.951 11.120 1.00 0.00 C ATOM 1394 C VAL B 220 13.018 7.856 11.683 1.00 0.00 C ATOM 1395 O VAL B 220 13.172 6.797 11.075 1.00 0.00 O ATOM 1396 CB VAL B 220 12.959 9.983 10.361 1.00 0.00 C ATOM 1397 CG1 VAL B 220 13.467 9.363 9.059 1.00 0.00 C ATOM 1398 CG2 VAL B 220 12.102 11.209 10.034 1.00 0.00 C ATOM 0 H VAL B 220 10.343 9.413 12.149 1.00 0.00 H new ATOM 0 HA VAL B 220 11.405 8.499 10.426 1.00 0.00 H new ATOM 0 HB VAL B 220 13.804 10.284 10.980 1.00 0.00 H new ATOM 0 HG11 VAL B 220 14.068 10.094 8.518 1.00 0.00 H new ATOM 0 HG12 VAL B 220 14.077 8.489 9.286 1.00 0.00 H new ATOM 0 HG13 VAL B 220 12.619 9.063 8.443 1.00 0.00 H new ATOM 0 HG21 VAL B 220 12.704 11.941 9.495 1.00 0.00 H new ATOM 0 HG22 VAL B 220 11.257 10.908 9.415 1.00 0.00 H new ATOM 0 HG23 VAL B 220 11.734 11.653 10.959 1.00 0.00 H new ATOM 1408 N GLY B 221 13.607 8.109 12.848 1.00 0.00 N ATOM 1409 CA GLY B 221 14.480 7.127 13.477 1.00 0.00 C ATOM 1410 C GLY B 221 13.673 5.923 13.945 1.00 0.00 C ATOM 1411 O GLY B 221 14.220 4.845 14.175 1.00 0.00 O ATOM 0 H GLY B 221 13.496 8.978 13.371 1.00 0.00 H new ATOM 0 HA2 GLY B 221 15.246 6.807 12.771 1.00 0.00 H new ATOM 0 HA3 GLY B 221 14.996 7.579 14.324 1.00 0.00 H new ATOM 1415 N LEU B 222 12.365 6.119 14.078 1.00 0.00 N ATOM 1416 CA LEU B 222 11.480 5.047 14.514 1.00 0.00 C ATOM 1417 C LEU B 222 11.773 3.772 13.726 1.00 0.00 C ATOM 1418 O LEU B 222 12.455 2.873 14.216 1.00 0.00 O ATOM 1419 CB LEU B 222 10.019 5.471 14.310 1.00 0.00 C ATOM 1420 CG LEU B 222 9.072 4.284 14.535 1.00 0.00 C ATOM 1421 CD1 LEU B 222 9.400 3.595 15.865 1.00 0.00 C ATOM 1422 CD2 LEU B 222 7.629 4.794 14.566 1.00 0.00 C ATOM 0 H LEU B 222 11.897 7.006 13.891 1.00 0.00 H new ATOM 0 HA LEU B 222 11.650 4.849 15.572 1.00 0.00 H new ATOM 0 HB2 LEU B 222 9.770 6.277 15.000 1.00 0.00 H new ATOM 0 HB3 LEU B 222 9.886 5.862 13.301 1.00 0.00 H new ATOM 0 HG LEU B 222 9.194 3.565 13.725 1.00 0.00 H new ATOM 0 HD11 LEU B 222 8.723 2.754 16.016 1.00 0.00 H new ATOM 0 HD12 LEU B 222 10.428 3.234 15.844 1.00 0.00 H new ATOM 0 HD13 LEU B 222 9.282 4.307 16.682 1.00 0.00 H new ATOM 0 HD21 LEU B 222 6.950 3.956 14.726 1.00 0.00 H new ATOM 0 HD22 LEU B 222 7.515 5.513 15.377 1.00 0.00 H new ATOM 0 HD23 LEU B 222 7.393 5.276 13.617 1.00 0.00 H new ATOM 1434 N LEU B 223 11.257 3.708 12.503 1.00 0.00 N ATOM 1435 CA LEU B 223 11.474 2.543 11.650 1.00 0.00 C ATOM 1436 C LEU B 223 11.265 1.254 12.446 1.00 0.00 C ATOM 1437 O LEU B 223 12.206 0.812 13.083 1.00 0.00 O ATOM 1438 CB LEU B 223 12.899 2.593 11.068 1.00 0.00 C ATOM 1439 CG LEU B 223 12.991 1.797 9.751 1.00 0.00 C ATOM 1440 CD1 LEU B 223 12.502 0.360 9.971 1.00 0.00 C ATOM 1441 CD2 LEU B 223 12.153 2.472 8.642 1.00 0.00 C ATOM 1442 OXT LEU B 223 10.164 0.729 12.405 1.00 0.00 O ATOM 0 H LEU B 223 10.689 4.443 12.082 1.00 0.00 H new ATOM 0 HA LEU B 223 10.754 2.557 10.832 1.00 0.00 H new ATOM 0 HB2 LEU B 223 13.186 3.629 10.890 1.00 0.00 H new ATOM 0 HB3 LEU B 223 13.605 2.186 11.792 1.00 0.00 H new ATOM 0 HG LEU B 223 14.034 1.779 9.434 1.00 0.00 H new ATOM 0 HD11 LEU B 223 12.571 -0.195 9.035 1.00 0.00 H new ATOM 0 HD12 LEU B 223 13.122 -0.124 10.726 1.00 0.00 H new ATOM 0 HD13 LEU B 223 11.466 0.376 10.308 1.00 0.00 H new ATOM 0 HD21 LEU B 223 12.233 1.893 7.722 1.00 0.00 H new ATOM 0 HD22 LEU B 223 11.109 2.518 8.952 1.00 0.00 H new ATOM 0 HD23 LEU B 223 12.525 3.482 8.469 1.00 0.00 H new TER 1454 LEU B 223