USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 682 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 SER OG : rot 85:sc= 0.911 USER MOD Set 1.2: A 49 HIS : no HD1:sc= -1.82 K(o=-0.91,f=-4.7) USER MOD Single : A 1 SER N :NH3+ 135:sc= 0.783 (180deg=-1.06) USER MOD Single : A 1 SER OG : rot 180:sc= -0.0675 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -5:sc= 1 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -168:sc=-0.00746 (180deg=-0.163) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -26:sc= 0.102 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -163:sc= -0.0812 (180deg=-0.459) USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.21) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : +bothHN:sc= -1.74! C(o=-1.7!,f=-6.3!) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= -0.0221 (180deg=-0.153) USER MOD Single : A 33 MET CE :methyl 153:sc= -2.04 (180deg=-4.11!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0854 USER MOD Single : A 38 THR OG1 : rot -72:sc= 0.925 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0693) USER MOD Single : A 40 SER OG : rot 22:sc= 1.15 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.766 USER MOD Single : A 47 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 52 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-4.7!) USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= 0.326 (180deg=-0.454) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.065 F(o=-0.91,f=-0.065) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 179:sc= -0.337 USER MOD Single : A 59 LYS NZ :NH3+ 172:sc=-0.00953 (180deg=-0.096) USER MOD Single : A 63 LYS NZ :NH3+ 127:sc= -0.071 (180deg=-0.453) USER MOD Single : A 65 TYR OH : rot 35:sc= 0.789 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.618 X(o=-0.62,f=-0.34) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= -0.0692 (180deg=-0.478) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.546 -8.652 -2.842 1.00 64.31 N ATOM 2 CA SER A 1 14.972 -7.658 -3.749 1.00 20.25 C ATOM 3 C SER A 1 16.063 -6.855 -4.467 1.00 2.05 C ATOM 4 O SER A 1 17.247 -6.898 -4.091 1.00 41.40 O ATOM 5 CB SER A 1 13.932 -6.745 -3.044 1.00 11.42 C ATOM 6 OG SER A 1 13.270 -5.885 -3.977 1.00 11.10 O ATOM 0 H1 SER A 1 15.040 -8.627 -1.934 1.00 64.31 H new ATOM 0 H2 SER A 1 15.456 -9.599 -3.263 1.00 64.31 H new ATOM 0 H3 SER A 1 16.551 -8.438 -2.684 1.00 64.31 H new ATOM 0 HA SER A 1 14.422 -8.205 -4.515 1.00 20.25 H new ATOM 0 HB2 SER A 1 13.195 -7.362 -2.530 1.00 11.42 H new ATOM 0 HB3 SER A 1 14.431 -6.144 -2.284 1.00 11.42 H new ATOM 0 HG SER A 1 12.621 -5.325 -3.502 1.00 11.10 H new ATOM 12 N LYS A 2 15.675 -6.146 -5.501 1.00 23.11 N ATOM 13 CA LYS A 2 16.609 -5.401 -6.296 1.00 51.23 C ATOM 14 C LYS A 2 15.919 -4.126 -6.825 1.00 53.40 C ATOM 15 O LYS A 2 16.289 -3.571 -7.849 1.00 60.21 O ATOM 16 CB LYS A 2 17.102 -6.302 -7.456 1.00 32.31 C ATOM 17 CG LYS A 2 18.291 -5.759 -8.241 1.00 3.12 C ATOM 18 CD LYS A 2 19.499 -5.575 -7.336 1.00 0.14 C ATOM 19 CE LYS A 2 20.689 -5.053 -8.101 1.00 20.11 C ATOM 20 NZ LYS A 2 21.857 -4.854 -7.218 1.00 50.22 N ATOM 0 H LYS A 2 14.706 -6.073 -5.810 1.00 23.11 H new ATOM 0 HA LYS A 2 17.471 -5.098 -5.702 1.00 51.23 H new ATOM 0 HB2 LYS A 2 17.371 -7.277 -7.048 1.00 32.31 H new ATOM 0 HB3 LYS A 2 16.274 -6.463 -8.147 1.00 32.31 H new ATOM 0 HG2 LYS A 2 18.540 -6.443 -9.052 1.00 3.12 H new ATOM 0 HG3 LYS A 2 18.025 -4.806 -8.698 1.00 3.12 H new ATOM 0 HD2 LYS A 2 19.250 -4.883 -6.532 1.00 0.14 H new ATOM 0 HD3 LYS A 2 19.754 -6.527 -6.870 1.00 0.14 H new ATOM 0 HE2 LYS A 2 20.948 -5.753 -8.895 1.00 20.11 H new ATOM 0 HE3 LYS A 2 20.429 -4.109 -8.580 1.00 20.11 H new ATOM 0 HZ1 LYS A 2 22.657 -4.495 -7.777 1.00 50.22 H new ATOM 0 HZ2 LYS A 2 21.617 -4.167 -6.475 1.00 50.22 H new ATOM 0 HZ3 LYS A 2 22.120 -5.760 -6.780 1.00 50.22 H new ATOM 34 N CYS A 3 14.926 -3.665 -6.103 1.00 23.11 N ATOM 35 CA CYS A 3 14.216 -2.457 -6.488 1.00 12.53 C ATOM 36 C CYS A 3 14.417 -1.353 -5.474 1.00 52.33 C ATOM 37 O CYS A 3 14.519 -1.610 -4.263 1.00 50.30 O ATOM 38 CB CYS A 3 12.746 -2.741 -6.742 1.00 21.14 C ATOM 39 SG CYS A 3 12.497 -3.867 -8.144 1.00 41.12 S ATOM 0 H CYS A 3 14.588 -4.103 -5.246 1.00 23.11 H new ATOM 0 HA CYS A 3 14.640 -2.104 -7.428 1.00 12.53 H new ATOM 0 HB2 CYS A 3 12.302 -3.175 -5.846 1.00 21.14 H new ATOM 0 HB3 CYS A 3 12.225 -1.803 -6.934 1.00 21.14 H new ATOM 44 N LYS A 4 14.488 -0.139 -5.958 1.00 14.12 N ATOM 45 CA LYS A 4 14.776 1.004 -5.135 1.00 62.01 C ATOM 46 C LYS A 4 13.529 1.829 -4.855 1.00 21.40 C ATOM 47 O LYS A 4 12.991 2.497 -5.743 1.00 13.02 O ATOM 48 CB LYS A 4 15.823 1.880 -5.820 1.00 42.14 C ATOM 49 CG LYS A 4 17.140 1.178 -6.100 1.00 3.32 C ATOM 50 CD LYS A 4 18.076 2.079 -6.873 1.00 61.40 C ATOM 51 CE LYS A 4 19.389 1.390 -7.180 1.00 31.42 C ATOM 52 NZ LYS A 4 20.266 2.241 -8.009 1.00 34.41 N ATOM 0 H LYS A 4 14.346 0.084 -6.943 1.00 14.12 H new ATOM 0 HA LYS A 4 15.157 0.638 -4.181 1.00 62.01 H new ATOM 0 HB2 LYS A 4 15.413 2.247 -6.761 1.00 42.14 H new ATOM 0 HB3 LYS A 4 16.015 2.752 -5.195 1.00 42.14 H new ATOM 0 HG2 LYS A 4 17.606 0.882 -5.160 1.00 3.32 H new ATOM 0 HG3 LYS A 4 16.957 0.265 -6.666 1.00 3.32 H new ATOM 0 HD2 LYS A 4 17.600 2.386 -7.804 1.00 61.40 H new ATOM 0 HD3 LYS A 4 18.266 2.985 -6.298 1.00 61.40 H new ATOM 0 HE2 LYS A 4 19.897 1.141 -6.248 1.00 31.42 H new ATOM 0 HE3 LYS A 4 19.196 0.451 -7.699 1.00 31.42 H new ATOM 0 HZ1 LYS A 4 21.156 1.739 -8.201 1.00 34.41 H new ATOM 0 HZ2 LYS A 4 19.790 2.458 -8.908 1.00 34.41 H new ATOM 0 HZ3 LYS A 4 20.470 3.126 -7.503 1.00 34.41 H new ATOM 66 N CYS A 5 13.070 1.760 -3.645 1.00 53.05 N ATOM 67 CA CYS A 5 11.975 2.588 -3.176 1.00 22.14 C ATOM 68 C CYS A 5 12.409 3.270 -1.911 1.00 1.54 C ATOM 69 O CYS A 5 12.564 4.493 -1.865 1.00 24.53 O ATOM 70 CB CYS A 5 10.684 1.781 -2.943 1.00 14.22 C ATOM 71 SG CYS A 5 9.880 1.154 -4.450 1.00 44.34 S ATOM 0 H CYS A 5 13.441 1.124 -2.938 1.00 53.05 H new ATOM 0 HA CYS A 5 11.739 3.323 -3.946 1.00 22.14 H new ATOM 0 HB2 CYS A 5 10.915 0.936 -2.295 1.00 14.22 H new ATOM 0 HB3 CYS A 5 9.974 2.409 -2.406 1.00 14.22 H new ATOM 76 N SER A 6 12.626 2.466 -0.905 1.00 60.11 N ATOM 77 CA SER A 6 13.111 2.837 0.399 1.00 51.13 C ATOM 78 C SER A 6 13.371 1.529 1.098 1.00 4.34 C ATOM 79 O SER A 6 13.096 0.463 0.509 1.00 50.25 O ATOM 80 CB SER A 6 12.075 3.668 1.201 1.00 40.40 C ATOM 81 OG SER A 6 11.778 4.903 0.568 1.00 22.12 O ATOM 0 H SER A 6 12.457 1.463 -0.980 1.00 60.11 H new ATOM 0 HA SER A 6 13.997 3.466 0.319 1.00 51.13 H new ATOM 0 HB2 SER A 6 11.158 3.090 1.316 1.00 40.40 H new ATOM 0 HB3 SER A 6 12.460 3.858 2.203 1.00 40.40 H new ATOM 0 HG SER A 6 12.355 5.015 -0.216 1.00 22.12 H new ATOM 87 N ARG A 7 13.888 1.565 2.297 1.00 52.53 N ATOM 88 CA ARG A 7 14.099 0.334 3.030 1.00 52.10 C ATOM 89 C ARG A 7 12.749 -0.193 3.485 1.00 53.41 C ATOM 90 O ARG A 7 12.506 -1.404 3.515 1.00 61.40 O ATOM 91 CB ARG A 7 15.034 0.561 4.218 1.00 41.31 C ATOM 92 CG ARG A 7 16.402 1.094 3.817 1.00 44.25 C ATOM 93 CD ARG A 7 17.295 1.310 5.018 1.00 45.43 C ATOM 94 NE ARG A 7 17.632 0.059 5.709 1.00 43.21 N ATOM 95 CZ ARG A 7 18.068 -0.026 6.973 1.00 31.32 C ATOM 96 NH1 ARG A 7 18.124 1.070 7.738 1.00 43.01 N ATOM 97 NH2 ARG A 7 18.425 -1.207 7.473 1.00 75.24 N ATOM 0 H ARG A 7 14.169 2.415 2.785 1.00 52.53 H new ATOM 0 HA ARG A 7 14.577 -0.403 2.385 1.00 52.10 H new ATOM 0 HB2 ARG A 7 14.567 1.263 4.909 1.00 41.31 H new ATOM 0 HB3 ARG A 7 15.162 -0.379 4.755 1.00 41.31 H new ATOM 0 HG2 ARG A 7 16.878 0.393 3.131 1.00 44.25 H new ATOM 0 HG3 ARG A 7 16.282 2.035 3.279 1.00 44.25 H new ATOM 0 HD2 ARG A 7 18.214 1.802 4.698 1.00 45.43 H new ATOM 0 HD3 ARG A 7 16.799 1.984 5.717 1.00 45.43 H new ATOM 0 HE ARG A 7 17.526 -0.811 5.187 1.00 43.21 H new ATOM 0 HH11 ARG A 7 17.835 1.972 7.359 1.00 43.01 H new ATOM 0 HH12 ARG A 7 18.456 1.004 8.700 1.00 43.01 H new ATOM 0 HH21 ARG A 7 18.366 -2.045 6.894 1.00 75.24 H new ATOM 0 HH22 ARG A 7 18.757 -1.274 8.435 1.00 75.24 H new ATOM 111 N LYS A 8 11.873 0.731 3.814 1.00 11.05 N ATOM 112 CA LYS A 8 10.524 0.419 4.207 1.00 44.23 C ATOM 113 C LYS A 8 9.556 0.935 3.137 1.00 60.04 C ATOM 114 O LYS A 8 8.939 0.163 2.417 1.00 41.35 O ATOM 115 CB LYS A 8 10.199 1.082 5.557 1.00 1.40 C ATOM 116 CG LYS A 8 11.155 0.708 6.689 1.00 22.02 C ATOM 117 CD LYS A 8 10.826 1.461 7.981 1.00 71.21 C ATOM 118 CE LYS A 8 9.443 1.111 8.508 1.00 14.54 C ATOM 119 NZ LYS A 8 9.117 1.847 9.752 1.00 4.13 N ATOM 0 H LYS A 8 12.083 1.729 3.815 1.00 11.05 H new ATOM 0 HA LYS A 8 10.420 -0.661 4.310 1.00 44.23 H new ATOM 0 HB2 LYS A 8 10.212 2.164 5.429 1.00 1.40 H new ATOM 0 HB3 LYS A 8 9.185 0.808 5.848 1.00 1.40 H new ATOM 0 HG2 LYS A 8 11.102 -0.366 6.870 1.00 22.02 H new ATOM 0 HG3 LYS A 8 12.179 0.931 6.389 1.00 22.02 H new ATOM 0 HD2 LYS A 8 11.573 1.225 8.739 1.00 71.21 H new ATOM 0 HD3 LYS A 8 10.884 2.534 7.800 1.00 71.21 H new ATOM 0 HE2 LYS A 8 8.697 1.339 7.747 1.00 14.54 H new ATOM 0 HE3 LYS A 8 9.388 0.039 8.697 1.00 14.54 H new ATOM 0 HZ1 LYS A 8 8.166 1.578 10.075 1.00 4.13 H new ATOM 0 HZ2 LYS A 8 9.813 1.610 10.488 1.00 4.13 H new ATOM 0 HZ3 LYS A 8 9.143 2.870 9.567 1.00 4.13 H new ATOM 133 N GLY A 9 9.481 2.244 3.026 1.00 12.22 N ATOM 134 CA GLY A 9 8.567 2.901 2.098 1.00 4.03 C ATOM 135 C GLY A 9 7.926 4.069 2.805 1.00 43.02 C ATOM 136 O GLY A 9 7.651 3.960 4.013 1.00 13.30 O ATOM 0 H GLY A 9 10.050 2.889 3.574 1.00 12.22 H new ATOM 0 HA2 GLY A 9 9.105 3.242 1.214 1.00 4.03 H new ATOM 0 HA3 GLY A 9 7.805 2.200 1.757 1.00 4.03 H new ATOM 140 N PRO A 10 7.720 5.215 2.118 1.00 41.20 N ATOM 141 CA PRO A 10 7.083 6.401 2.721 1.00 13.12 C ATOM 142 C PRO A 10 5.759 6.036 3.381 1.00 21.12 C ATOM 143 O PRO A 10 4.963 5.267 2.803 1.00 63.23 O ATOM 144 CB PRO A 10 6.841 7.309 1.517 1.00 41.45 C ATOM 145 CG PRO A 10 7.911 6.936 0.558 1.00 22.45 C ATOM 146 CD PRO A 10 8.106 5.454 0.718 1.00 33.44 C ATOM 0 HA PRO A 10 7.691 6.859 3.501 1.00 13.12 H new ATOM 0 HB2 PRO A 10 5.851 7.149 1.091 1.00 41.45 H new ATOM 0 HB3 PRO A 10 6.903 8.362 1.793 1.00 41.45 H new ATOM 0 HG2 PRO A 10 7.624 7.185 -0.464 1.00 22.45 H new ATOM 0 HG3 PRO A 10 8.833 7.477 0.771 1.00 22.45 H new ATOM 0 HD2 PRO A 10 7.482 4.888 0.026 1.00 33.44 H new ATOM 0 HD3 PRO A 10 9.139 5.161 0.529 1.00 33.44 H new ATOM 154 N LYS A 11 5.500 6.635 4.539 1.00 51.24 N ATOM 155 CA LYS A 11 4.373 6.278 5.382 1.00 3.00 C ATOM 156 C LYS A 11 3.041 6.514 4.719 1.00 14.30 C ATOM 157 O LYS A 11 2.861 7.443 3.892 1.00 73.45 O ATOM 158 CB LYS A 11 4.447 6.978 6.741 1.00 52.34 C ATOM 159 CG LYS A 11 5.651 6.565 7.576 1.00 31.22 C ATOM 160 CD LYS A 11 5.715 7.331 8.884 1.00 14.14 C ATOM 161 CE LYS A 11 6.899 6.882 9.738 1.00 13.30 C ATOM 162 NZ LYS A 11 6.777 5.470 10.169 1.00 63.41 N ATOM 0 H LYS A 11 6.074 7.388 4.919 1.00 51.24 H new ATOM 0 HA LYS A 11 4.448 5.203 5.548 1.00 3.00 H new ATOM 0 HB2 LYS A 11 4.478 8.056 6.583 1.00 52.34 H new ATOM 0 HB3 LYS A 11 3.537 6.763 7.301 1.00 52.34 H new ATOM 0 HG2 LYS A 11 5.602 5.496 7.782 1.00 31.22 H new ATOM 0 HG3 LYS A 11 6.565 6.738 7.008 1.00 31.22 H new ATOM 0 HD2 LYS A 11 5.797 8.398 8.678 1.00 14.14 H new ATOM 0 HD3 LYS A 11 4.788 7.184 9.439 1.00 14.14 H new ATOM 0 HE2 LYS A 11 7.822 7.008 9.171 1.00 13.30 H new ATOM 0 HE3 LYS A 11 6.974 7.523 10.617 1.00 13.30 H new ATOM 0 HZ1 LYS A 11 7.485 5.269 10.903 1.00 63.41 H new ATOM 0 HZ2 LYS A 11 5.824 5.305 10.552 1.00 63.41 H new ATOM 0 HZ3 LYS A 11 6.935 4.843 9.354 1.00 63.41 H new ATOM 176 N ILE A 12 2.123 5.654 5.056 1.00 74.14 N ATOM 177 CA ILE A 12 0.809 5.629 4.490 1.00 64.13 C ATOM 178 C ILE A 12 -0.152 5.270 5.597 1.00 62.11 C ATOM 179 O ILE A 12 0.185 4.458 6.464 1.00 13.22 O ATOM 180 CB ILE A 12 0.698 4.488 3.434 1.00 5.34 C ATOM 181 CG1 ILE A 12 1.855 4.537 2.443 1.00 5.42 C ATOM 182 CG2 ILE A 12 -0.618 4.600 2.684 1.00 22.42 C ATOM 183 CD1 ILE A 12 1.879 3.398 1.457 1.00 72.51 C ATOM 0 H ILE A 12 2.276 4.928 5.756 1.00 74.14 H new ATOM 0 HA ILE A 12 0.596 6.595 4.032 1.00 64.13 H new ATOM 0 HB ILE A 12 0.739 3.536 3.964 1.00 5.34 H new ATOM 0 HG12 ILE A 12 1.807 5.477 1.893 1.00 5.42 H new ATOM 0 HG13 ILE A 12 2.793 4.541 2.998 1.00 5.42 H new ATOM 0 HG21 ILE A 12 -0.687 3.799 1.948 1.00 22.42 H new ATOM 0 HG22 ILE A 12 -1.446 4.518 3.388 1.00 22.42 H new ATOM 0 HG23 ILE A 12 -0.667 5.564 2.177 1.00 22.42 H new ATOM 0 HD11 ILE A 12 2.734 3.512 0.790 1.00 72.51 H new ATOM 0 HD12 ILE A 12 1.961 2.453 1.994 1.00 72.51 H new ATOM 0 HD13 ILE A 12 0.959 3.404 0.872 1.00 72.51 H new ATOM 195 N ARG A 13 -1.290 5.884 5.613 1.00 73.10 N ATOM 196 CA ARG A 13 -2.339 5.480 6.487 1.00 53.31 C ATOM 197 C ARG A 13 -3.449 4.927 5.627 1.00 65.12 C ATOM 198 O ARG A 13 -3.453 5.130 4.414 1.00 11.40 O ATOM 199 CB ARG A 13 -2.820 6.626 7.359 1.00 1.05 C ATOM 200 CG ARG A 13 -1.737 7.196 8.253 1.00 15.42 C ATOM 201 CD ARG A 13 -2.257 8.338 9.085 1.00 65.42 C ATOM 202 NE ARG A 13 -1.226 8.886 9.968 1.00 24.20 N ATOM 203 CZ ARG A 13 -1.460 9.746 10.964 1.00 74.45 C ATOM 204 NH1 ARG A 13 -2.702 10.170 11.196 1.00 74.30 N ATOM 205 NH2 ARG A 13 -0.461 10.176 11.720 1.00 31.44 N ATOM 0 H ARG A 13 -1.518 6.681 5.019 1.00 73.10 H new ATOM 0 HA ARG A 13 -1.981 4.717 7.178 1.00 53.31 H new ATOM 0 HB2 ARG A 13 -3.210 7.419 6.721 1.00 1.05 H new ATOM 0 HB3 ARG A 13 -3.647 6.279 7.978 1.00 1.05 H new ATOM 0 HG2 ARG A 13 -1.353 6.413 8.907 1.00 15.42 H new ATOM 0 HG3 ARG A 13 -0.902 7.539 7.642 1.00 15.42 H new ATOM 0 HD2 ARG A 13 -2.628 9.125 8.429 1.00 65.42 H new ATOM 0 HD3 ARG A 13 -3.102 7.996 9.683 1.00 65.42 H new ATOM 0 HE ARG A 13 -0.262 8.591 9.812 1.00 24.20 H new ATOM 0 HH11 ARG A 13 -3.471 9.838 10.614 1.00 74.30 H new ATOM 0 HH12 ARG A 13 -2.883 10.826 11.955 1.00 74.30 H new ATOM 0 HH21 ARG A 13 0.489 9.851 11.543 1.00 31.44 H new ATOM 0 HH22 ARG A 13 -0.642 10.832 12.480 1.00 31.44 H new ATOM 219 N TYR A 14 -4.379 4.243 6.221 1.00 23.54 N ATOM 220 CA TYR A 14 -5.439 3.590 5.461 1.00 32.12 C ATOM 221 C TYR A 14 -6.349 4.619 4.776 1.00 12.25 C ATOM 222 O TYR A 14 -6.950 4.350 3.730 1.00 72.35 O ATOM 223 CB TYR A 14 -6.239 2.683 6.377 1.00 64.15 C ATOM 224 CG TYR A 14 -5.363 1.742 7.178 1.00 64.43 C ATOM 225 CD1 TYR A 14 -4.769 0.631 6.592 1.00 42.52 C ATOM 226 CD2 TYR A 14 -5.106 1.987 8.524 1.00 74.02 C ATOM 227 CE1 TYR A 14 -3.955 -0.199 7.322 1.00 75.13 C ATOM 228 CE2 TYR A 14 -4.285 1.159 9.258 1.00 24.22 C ATOM 229 CZ TYR A 14 -3.715 0.067 8.654 1.00 1.11 C ATOM 230 OH TYR A 14 -2.883 -0.761 9.381 1.00 44.43 O ATOM 0 H TYR A 14 -4.439 4.114 7.231 1.00 23.54 H new ATOM 0 HA TYR A 14 -4.983 2.988 4.675 1.00 32.12 H new ATOM 0 HB2 TYR A 14 -6.830 3.293 7.060 1.00 64.15 H new ATOM 0 HB3 TYR A 14 -6.942 2.100 5.781 1.00 64.15 H new ATOM 0 HD1 TYR A 14 -4.950 0.418 5.549 1.00 42.52 H new ATOM 0 HD2 TYR A 14 -5.559 2.843 9.002 1.00 74.02 H new ATOM 0 HE1 TYR A 14 -3.502 -1.060 6.853 1.00 75.13 H new ATOM 0 HE2 TYR A 14 -4.092 1.368 10.300 1.00 24.22 H new ATOM 0 HH TYR A 14 -2.819 -0.433 10.302 1.00 44.43 H new ATOM 240 N SER A 15 -6.415 5.796 5.359 1.00 21.41 N ATOM 241 CA SER A 15 -7.194 6.891 4.827 1.00 44.21 C ATOM 242 C SER A 15 -6.521 7.513 3.577 1.00 0.23 C ATOM 243 O SER A 15 -7.166 8.248 2.807 1.00 42.31 O ATOM 244 CB SER A 15 -7.326 7.946 5.892 1.00 72.31 C ATOM 245 OG SER A 15 -7.946 7.413 7.060 1.00 52.02 O ATOM 0 H SER A 15 -5.924 6.021 6.224 1.00 21.41 H new ATOM 0 HA SER A 15 -8.171 6.511 4.530 1.00 44.21 H new ATOM 0 HB2 SER A 15 -6.341 8.339 6.145 1.00 72.31 H new ATOM 0 HB3 SER A 15 -7.914 8.781 5.512 1.00 72.31 H new ATOM 0 HG SER A 15 -8.509 6.650 6.812 1.00 52.02 H new ATOM 251 N ASP A 16 -5.243 7.189 3.370 1.00 72.11 N ATOM 252 CA ASP A 16 -4.460 7.728 2.246 1.00 61.42 C ATOM 253 C ASP A 16 -4.734 6.918 1.013 1.00 41.10 C ATOM 254 O ASP A 16 -4.732 7.438 -0.108 1.00 2.23 O ATOM 255 CB ASP A 16 -2.927 7.573 2.495 1.00 42.14 C ATOM 256 CG ASP A 16 -2.307 8.399 3.605 1.00 75.31 C ATOM 257 OD1 ASP A 16 -2.729 8.295 4.759 1.00 2.24 O ATOM 258 OD2 ASP A 16 -1.310 9.100 3.333 1.00 70.22 O ATOM 0 H ASP A 16 -4.721 6.550 3.970 1.00 72.11 H new ATOM 0 HA ASP A 16 -4.739 8.776 2.140 1.00 61.42 H new ATOM 0 HB2 ASP A 16 -2.726 6.523 2.706 1.00 42.14 H new ATOM 0 HB3 ASP A 16 -2.410 7.816 1.567 1.00 42.14 H new ATOM 263 N VAL A 17 -5.008 5.658 1.224 1.00 1.05 N ATOM 264 CA VAL A 17 -5.057 4.691 0.133 1.00 64.20 C ATOM 265 C VAL A 17 -6.384 4.732 -0.620 1.00 42.12 C ATOM 266 O VAL A 17 -7.461 4.692 -0.010 1.00 2.14 O ATOM 267 CB VAL A 17 -4.833 3.254 0.651 1.00 65.30 C ATOM 268 CG1 VAL A 17 -4.640 2.270 -0.482 1.00 42.11 C ATOM 269 CG2 VAL A 17 -3.715 3.171 1.666 1.00 51.11 C ATOM 0 H VAL A 17 -5.204 5.265 2.144 1.00 1.05 H new ATOM 0 HA VAL A 17 -4.256 4.970 -0.551 1.00 64.20 H new ATOM 0 HB VAL A 17 -5.746 2.969 1.174 1.00 65.30 H new ATOM 0 HG11 VAL A 17 -4.486 1.271 -0.074 1.00 42.11 H new ATOM 0 HG12 VAL A 17 -5.525 2.269 -1.118 1.00 42.11 H new ATOM 0 HG13 VAL A 17 -3.770 2.560 -1.071 1.00 42.11 H new ATOM 0 HG21 VAL A 17 -3.600 2.139 1.997 1.00 51.11 H new ATOM 0 HG22 VAL A 17 -2.785 3.512 1.211 1.00 51.11 H new ATOM 0 HG23 VAL A 17 -3.953 3.802 2.522 1.00 51.11 H new ATOM 279 N LYS A 18 -6.301 4.812 -1.935 1.00 10.11 N ATOM 280 CA LYS A 18 -7.479 4.763 -2.790 1.00 42.44 C ATOM 281 C LYS A 18 -7.463 3.403 -3.512 1.00 72.11 C ATOM 282 O LYS A 18 -8.487 2.873 -3.903 1.00 63.12 O ATOM 283 CB LYS A 18 -7.435 5.906 -3.827 1.00 41.41 C ATOM 284 CG LYS A 18 -8.791 6.597 -4.117 1.00 1.04 C ATOM 285 CD LYS A 18 -9.886 5.671 -4.645 1.00 31.13 C ATOM 286 CE LYS A 18 -9.570 5.113 -6.016 1.00 52.21 C ATOM 287 NZ LYS A 18 -10.662 4.251 -6.517 1.00 54.11 N ATOM 0 H LYS A 18 -5.421 4.912 -2.441 1.00 10.11 H new ATOM 0 HA LYS A 18 -8.386 4.880 -2.198 1.00 42.44 H new ATOM 0 HB2 LYS A 18 -6.729 6.661 -3.480 1.00 41.41 H new ATOM 0 HB3 LYS A 18 -7.042 5.509 -4.763 1.00 41.41 H new ATOM 0 HG2 LYS A 18 -9.145 7.068 -3.200 1.00 1.04 H new ATOM 0 HG3 LYS A 18 -8.628 7.394 -4.843 1.00 1.04 H new ATOM 0 HD2 LYS A 18 -10.027 4.847 -3.946 1.00 31.13 H new ATOM 0 HD3 LYS A 18 -10.828 6.217 -4.688 1.00 31.13 H new ATOM 0 HE2 LYS A 18 -9.404 5.933 -6.714 1.00 52.21 H new ATOM 0 HE3 LYS A 18 -8.644 4.540 -5.972 1.00 52.21 H new ATOM 0 HZ1 LYS A 18 -10.412 3.886 -7.458 1.00 54.11 H new ATOM 0 HZ2 LYS A 18 -10.804 3.455 -5.863 1.00 54.11 H new ATOM 0 HZ3 LYS A 18 -11.540 4.805 -6.583 1.00 54.11 H new ATOM 301 N LYS A 19 -6.270 2.855 -3.661 1.00 75.24 N ATOM 302 CA LYS A 19 -6.042 1.563 -4.311 1.00 3.00 C ATOM 303 C LYS A 19 -4.802 0.942 -3.772 1.00 63.54 C ATOM 304 O LYS A 19 -3.801 1.634 -3.546 1.00 63.00 O ATOM 305 CB LYS A 19 -5.894 1.627 -5.848 1.00 2.32 C ATOM 306 CG LYS A 19 -7.147 1.928 -6.649 1.00 20.11 C ATOM 307 CD LYS A 19 -6.856 1.876 -8.155 1.00 35.34 C ATOM 308 CE LYS A 19 -6.308 0.504 -8.587 1.00 43.42 C ATOM 309 NZ LYS A 19 -6.058 0.421 -10.044 1.00 31.15 N ATOM 0 H LYS A 19 -5.413 3.298 -3.330 1.00 75.24 H new ATOM 0 HA LYS A 19 -6.936 0.978 -4.093 1.00 3.00 H new ATOM 0 HB2 LYS A 19 -5.150 2.387 -6.085 1.00 2.32 H new ATOM 0 HB3 LYS A 19 -5.495 0.672 -6.190 1.00 2.32 H new ATOM 0 HG2 LYS A 19 -7.926 1.207 -6.399 1.00 20.11 H new ATOM 0 HG3 LYS A 19 -7.527 2.914 -6.381 1.00 20.11 H new ATOM 0 HD2 LYS A 19 -7.769 2.093 -8.709 1.00 35.34 H new ATOM 0 HD3 LYS A 19 -6.135 2.652 -8.412 1.00 35.34 H new ATOM 0 HE2 LYS A 19 -5.380 0.303 -8.051 1.00 43.42 H new ATOM 0 HE3 LYS A 19 -7.017 -0.273 -8.299 1.00 43.42 H new ATOM 0 HZ1 LYS A 19 -5.690 -0.523 -10.280 1.00 31.15 H new ATOM 0 HZ2 LYS A 19 -6.947 0.585 -10.559 1.00 31.15 H new ATOM 0 HZ3 LYS A 19 -5.361 1.143 -10.318 1.00 31.15 H new ATOM 323 N LEU A 20 -4.853 -0.329 -3.579 1.00 62.41 N ATOM 324 CA LEU A 20 -3.734 -1.074 -3.106 1.00 30.54 C ATOM 325 C LEU A 20 -3.634 -2.309 -3.970 1.00 30.42 C ATOM 326 O LEU A 20 -4.598 -3.079 -4.067 1.00 54.13 O ATOM 327 CB LEU A 20 -3.960 -1.419 -1.603 1.00 65.10 C ATOM 328 CG LEU A 20 -2.835 -2.139 -0.818 1.00 24.31 C ATOM 329 CD1 LEU A 20 -3.179 -2.134 0.666 1.00 32.43 C ATOM 330 CD2 LEU A 20 -2.661 -3.586 -1.285 1.00 74.13 C ATOM 0 H LEU A 20 -5.687 -0.892 -3.747 1.00 62.41 H new ATOM 0 HA LEU A 20 -2.800 -0.516 -3.171 1.00 30.54 H new ATOM 0 HB2 LEU A 20 -4.180 -0.487 -1.082 1.00 65.10 H new ATOM 0 HB3 LEU A 20 -4.854 -2.039 -1.539 1.00 65.10 H new ATOM 0 HG LEU A 20 -1.901 -1.607 -0.999 1.00 24.31 H new ATOM 0 HD11 LEU A 20 -2.391 -2.639 1.224 1.00 32.43 H new ATOM 0 HD12 LEU A 20 -3.268 -1.105 1.015 1.00 32.43 H new ATOM 0 HD13 LEU A 20 -4.124 -2.654 0.822 1.00 32.43 H new ATOM 0 HD21 LEU A 20 -1.864 -4.060 -0.712 1.00 74.13 H new ATOM 0 HD22 LEU A 20 -3.592 -4.132 -1.132 1.00 74.13 H new ATOM 0 HD23 LEU A 20 -2.404 -3.598 -2.344 1.00 74.13 H new ATOM 342 N GLU A 21 -2.511 -2.490 -4.607 1.00 32.24 N ATOM 343 CA GLU A 21 -2.312 -3.635 -5.442 1.00 55.34 C ATOM 344 C GLU A 21 -0.907 -4.151 -5.275 1.00 72.54 C ATOM 345 O GLU A 21 0.034 -3.377 -5.135 1.00 73.35 O ATOM 346 CB GLU A 21 -2.650 -3.305 -6.908 1.00 22.55 C ATOM 347 CG GLU A 21 -1.897 -2.126 -7.493 1.00 51.23 C ATOM 348 CD GLU A 21 -2.399 -1.752 -8.863 1.00 14.23 C ATOM 349 OE1 GLU A 21 -2.165 -2.502 -9.827 1.00 33.21 O ATOM 350 OE2 GLU A 21 -3.054 -0.701 -9.007 1.00 51.20 O ATOM 0 H GLU A 21 -1.716 -1.853 -4.561 1.00 32.24 H new ATOM 0 HA GLU A 21 -2.992 -4.430 -5.137 1.00 55.34 H new ATOM 0 HB2 GLU A 21 -2.446 -4.185 -7.518 1.00 22.55 H new ATOM 0 HB3 GLU A 21 -3.719 -3.106 -6.982 1.00 22.55 H new ATOM 0 HG2 GLU A 21 -1.993 -1.269 -6.826 1.00 51.23 H new ATOM 0 HG3 GLU A 21 -0.836 -2.368 -7.550 1.00 51.23 H new ATOM 357 N MET A 22 -0.760 -5.442 -5.238 1.00 41.01 N ATOM 358 CA MET A 22 0.528 -6.017 -5.063 1.00 32.44 C ATOM 359 C MET A 22 1.021 -6.608 -6.357 1.00 24.10 C ATOM 360 O MET A 22 0.458 -7.577 -6.876 1.00 40.31 O ATOM 361 CB MET A 22 0.507 -7.060 -3.944 1.00 14.23 C ATOM 362 CG MET A 22 0.216 -6.473 -2.563 1.00 30.41 C ATOM 363 SD MET A 22 0.162 -7.716 -1.247 1.00 74.34 S ATOM 364 CE MET A 22 -1.239 -8.715 -1.764 1.00 41.13 C ATOM 0 H MET A 22 -1.522 -6.114 -5.328 1.00 41.01 H new ATOM 0 HA MET A 22 1.223 -5.231 -4.768 1.00 32.44 H new ATOM 0 HB2 MET A 22 -0.246 -7.813 -4.175 1.00 14.23 H new ATOM 0 HB3 MET A 22 1.470 -7.570 -3.917 1.00 14.23 H new ATOM 0 HG2 MET A 22 0.980 -5.734 -2.323 1.00 30.41 H new ATOM 0 HG3 MET A 22 -0.738 -5.947 -2.594 1.00 30.41 H new ATOM 0 HE1 MET A 22 -1.584 -9.320 -0.925 1.00 41.13 H new ATOM 0 HE2 MET A 22 -2.047 -8.064 -2.098 1.00 41.13 H new ATOM 0 HE3 MET A 22 -0.938 -9.369 -2.583 1.00 41.13 H new ATOM 374 N LYS A 23 2.043 -6.003 -6.881 1.00 32.35 N ATOM 375 CA LYS A 23 2.690 -6.422 -8.084 1.00 0.12 C ATOM 376 C LYS A 23 4.089 -5.849 -8.061 1.00 63.12 C ATOM 377 O LYS A 23 4.319 -4.833 -7.410 1.00 31.50 O ATOM 378 CB LYS A 23 1.923 -5.875 -9.276 1.00 63.44 C ATOM 379 CG LYS A 23 1.865 -4.361 -9.301 1.00 53.13 C ATOM 380 CD LYS A 23 0.930 -3.871 -10.348 1.00 22.13 C ATOM 381 CE LYS A 23 0.935 -2.356 -10.425 1.00 21.44 C ATOM 382 NZ LYS A 23 -0.049 -1.853 -11.390 1.00 43.15 N ATOM 0 H LYS A 23 2.464 -5.172 -6.465 1.00 32.35 H new ATOM 0 HA LYS A 23 2.724 -7.509 -8.160 1.00 0.12 H new ATOM 0 HB2 LYS A 23 2.390 -6.230 -10.195 1.00 63.44 H new ATOM 0 HB3 LYS A 23 0.908 -6.271 -9.260 1.00 63.44 H new ATOM 0 HG2 LYS A 23 1.548 -3.991 -8.326 1.00 53.13 H new ATOM 0 HG3 LYS A 23 2.862 -3.960 -9.485 1.00 53.13 H new ATOM 0 HD2 LYS A 23 1.213 -4.287 -11.315 1.00 22.13 H new ATOM 0 HD3 LYS A 23 -0.079 -4.223 -10.132 1.00 22.13 H new ATOM 0 HE2 LYS A 23 0.721 -1.942 -9.440 1.00 21.44 H new ATOM 0 HE3 LYS A 23 1.929 -2.010 -10.707 1.00 21.44 H new ATOM 0 HZ1 LYS A 23 0.010 -0.816 -11.437 1.00 43.15 H new ATOM 0 HZ2 LYS A 23 0.149 -2.254 -12.329 1.00 43.15 H new ATOM 0 HZ3 LYS A 23 -1.005 -2.132 -11.089 1.00 43.15 H new ATOM 396 N PRO A 24 5.049 -6.478 -8.704 1.00 54.34 N ATOM 397 CA PRO A 24 6.380 -5.930 -8.778 1.00 13.03 C ATOM 398 C PRO A 24 6.372 -4.693 -9.674 1.00 51.42 C ATOM 399 O PRO A 24 6.022 -4.767 -10.864 1.00 42.40 O ATOM 400 CB PRO A 24 7.217 -7.061 -9.371 1.00 32.12 C ATOM 401 CG PRO A 24 6.250 -7.888 -10.124 1.00 33.10 C ATOM 402 CD PRO A 24 4.928 -7.761 -9.415 1.00 64.01 C ATOM 0 HA PRO A 24 6.776 -5.606 -7.816 1.00 13.03 H new ATOM 0 HB2 PRO A 24 8.000 -6.674 -10.023 1.00 32.12 H new ATOM 0 HB3 PRO A 24 7.710 -7.640 -8.590 1.00 32.12 H new ATOM 0 HG2 PRO A 24 6.170 -7.547 -11.156 1.00 33.10 H new ATOM 0 HG3 PRO A 24 6.573 -8.928 -10.157 1.00 33.10 H new ATOM 0 HD2 PRO A 24 4.094 -7.755 -10.117 1.00 64.01 H new ATOM 0 HD3 PRO A 24 4.759 -8.589 -8.726 1.00 64.01 H new ATOM 410 N LYS A 25 6.716 -3.553 -9.089 1.00 4.20 N ATOM 411 CA LYS A 25 6.693 -2.271 -9.792 1.00 14.41 C ATOM 412 C LYS A 25 7.733 -2.322 -10.923 1.00 35.50 C ATOM 413 O LYS A 25 7.585 -1.696 -11.974 1.00 34.11 O ATOM 414 CB LYS A 25 7.007 -1.134 -8.779 1.00 62.34 C ATOM 415 CG LYS A 25 6.501 0.257 -9.161 1.00 62.42 C ATOM 416 CD LYS A 25 7.237 0.825 -10.330 1.00 73.14 C ATOM 417 CE LYS A 25 6.570 2.074 -10.846 1.00 44.22 C ATOM 418 NZ LYS A 25 7.261 2.632 -12.025 1.00 43.54 N ATOM 0 H LYS A 25 7.018 -3.488 -8.117 1.00 4.20 H new ATOM 0 HA LYS A 25 5.713 -2.075 -10.227 1.00 14.41 H new ATOM 0 HB2 LYS A 25 6.577 -1.404 -7.814 1.00 62.34 H new ATOM 0 HB3 LYS A 25 8.087 -1.082 -8.643 1.00 62.34 H new ATOM 0 HG2 LYS A 25 5.438 0.203 -9.395 1.00 62.42 H new ATOM 0 HG3 LYS A 25 6.606 0.927 -8.308 1.00 62.42 H new ATOM 0 HD2 LYS A 25 8.263 1.052 -10.040 1.00 73.14 H new ATOM 0 HD3 LYS A 25 7.287 0.082 -11.126 1.00 73.14 H new ATOM 0 HE2 LYS A 25 5.536 1.850 -11.106 1.00 44.22 H new ATOM 0 HE3 LYS A 25 6.544 2.823 -10.054 1.00 44.22 H new ATOM 0 HZ1 LYS A 25 6.766 3.489 -12.344 1.00 43.54 H new ATOM 0 HZ2 LYS A 25 8.241 2.872 -11.772 1.00 43.54 H new ATOM 0 HZ3 LYS A 25 7.263 1.929 -12.791 1.00 43.54 H new ATOM 432 N TYR A 26 8.750 -3.106 -10.698 1.00 33.42 N ATOM 433 CA TYR A 26 9.799 -3.308 -11.640 1.00 71.03 C ATOM 434 C TYR A 26 9.941 -4.784 -11.871 1.00 45.33 C ATOM 435 O TYR A 26 9.767 -5.569 -10.938 1.00 62.21 O ATOM 436 CB TYR A 26 11.139 -2.724 -11.129 1.00 5.22 C ATOM 437 CG TYR A 26 11.234 -1.227 -11.121 1.00 23.11 C ATOM 438 CD1 TYR A 26 10.763 -0.470 -10.056 1.00 70.33 C ATOM 439 CD2 TYR A 26 11.827 -0.572 -12.184 1.00 71.33 C ATOM 440 CE1 TYR A 26 10.880 0.905 -10.057 1.00 73.35 C ATOM 441 CE2 TYR A 26 11.948 0.802 -12.198 1.00 34.12 C ATOM 442 CZ TYR A 26 11.472 1.536 -11.129 1.00 21.11 C ATOM 443 OH TYR A 26 11.600 2.910 -11.129 1.00 54.21 O ATOM 0 H TYR A 26 8.869 -3.632 -9.832 1.00 33.42 H new ATOM 0 HA TYR A 26 9.551 -2.793 -12.568 1.00 71.03 H new ATOM 0 HB2 TYR A 26 11.309 -3.086 -10.115 1.00 5.22 H new ATOM 0 HB3 TYR A 26 11.945 -3.118 -11.748 1.00 5.22 H new ATOM 0 HD1 TYR A 26 10.299 -0.964 -9.215 1.00 70.33 H new ATOM 0 HD2 TYR A 26 12.202 -1.146 -13.018 1.00 71.33 H new ATOM 0 HE1 TYR A 26 10.510 1.483 -9.223 1.00 73.35 H new ATOM 0 HE2 TYR A 26 12.411 1.300 -13.037 1.00 34.12 H new ATOM 0 HH TYR A 26 12.040 3.198 -11.956 1.00 54.21 H new ATOM 453 N PRO A 27 10.243 -5.211 -13.107 1.00 72.04 N ATOM 454 CA PRO A 27 10.455 -6.634 -13.426 1.00 2.05 C ATOM 455 C PRO A 27 11.670 -7.202 -12.688 1.00 34.32 C ATOM 456 O PRO A 27 11.887 -8.398 -12.659 1.00 52.21 O ATOM 457 CB PRO A 27 10.698 -6.634 -14.944 1.00 50.41 C ATOM 458 CG PRO A 27 10.115 -5.353 -15.415 1.00 24.43 C ATOM 459 CD PRO A 27 10.355 -4.370 -14.314 1.00 5.43 C ATOM 0 HA PRO A 27 9.611 -7.255 -13.124 1.00 2.05 H new ATOM 0 HB2 PRO A 27 11.761 -6.695 -15.175 1.00 50.41 H new ATOM 0 HB3 PRO A 27 10.218 -7.488 -15.423 1.00 50.41 H new ATOM 0 HG2 PRO A 27 10.586 -5.026 -16.342 1.00 24.43 H new ATOM 0 HG3 PRO A 27 9.050 -5.459 -15.619 1.00 24.43 H new ATOM 0 HD2 PRO A 27 11.337 -3.903 -14.394 1.00 5.43 H new ATOM 0 HD3 PRO A 27 9.618 -3.567 -14.319 1.00 5.43 H new ATOM 467 N HIS A 28 12.438 -6.318 -12.092 1.00 33.24 N ATOM 468 CA HIS A 28 13.621 -6.683 -11.343 1.00 11.03 C ATOM 469 C HIS A 28 13.352 -6.627 -9.824 1.00 2.22 C ATOM 470 O HIS A 28 14.268 -6.414 -9.033 1.00 10.02 O ATOM 471 CB HIS A 28 14.834 -5.784 -11.734 1.00 35.24 C ATOM 472 CG HIS A 28 14.683 -4.298 -11.501 1.00 33.43 C ATOM 473 ND1 HIS A 28 14.999 -3.694 -10.323 1.00 40.31 N ATOM 474 CD2 HIS A 28 14.266 -3.293 -12.318 1.00 53.41 C ATOM 475 CE1 HIS A 28 14.788 -2.412 -10.417 1.00 13.24 C ATOM 476 NE2 HIS A 28 14.357 -2.144 -11.612 1.00 2.14 N ATOM 0 H HIS A 28 12.258 -5.314 -12.113 1.00 33.24 H new ATOM 0 HA HIS A 28 13.876 -7.711 -11.599 1.00 11.03 H new ATOM 0 HB2 HIS A 28 15.706 -6.128 -11.178 1.00 35.24 H new ATOM 0 HB3 HIS A 28 15.048 -5.942 -12.791 1.00 35.24 H new ATOM 0 HD1 HIS A 28 15.348 -4.173 -9.493 1.00 40.31 H new ATOM 0 HD2 HIS A 28 13.926 -3.394 -13.338 1.00 53.41 H new ATOM 0 HE1 HIS A 28 14.946 -1.690 -9.629 1.00 13.24 H new ATOM 0 HE2 HIS A 28 14.124 -1.215 -11.962 1.00 2.14 H new ATOM 485 N CYS A 29 12.112 -6.889 -9.421 1.00 2.20 N ATOM 486 CA CYS A 29 11.764 -6.880 -8.007 1.00 3.21 C ATOM 487 C CYS A 29 11.531 -8.298 -7.545 1.00 5.34 C ATOM 488 O CYS A 29 11.150 -9.174 -8.346 1.00 31.12 O ATOM 489 CB CYS A 29 10.466 -6.082 -7.771 1.00 4.45 C ATOM 490 SG CYS A 29 10.529 -4.294 -8.135 1.00 4.03 S ATOM 0 H CYS A 29 11.339 -7.108 -10.049 1.00 2.20 H new ATOM 0 HA CYS A 29 12.582 -6.418 -7.454 1.00 3.21 H new ATOM 0 HB2 CYS A 29 9.678 -6.526 -8.379 1.00 4.45 H new ATOM 0 HB3 CYS A 29 10.174 -6.207 -6.728 1.00 4.45 H new ATOM 495 N GLU A 30 11.789 -8.546 -6.278 1.00 11.43 N ATOM 496 CA GLU A 30 11.598 -9.841 -5.715 1.00 13.12 C ATOM 497 C GLU A 30 10.178 -9.920 -5.220 1.00 4.43 C ATOM 498 O GLU A 30 9.755 -9.056 -4.455 1.00 73.20 O ATOM 499 CB GLU A 30 12.590 -9.990 -4.587 1.00 40.30 C ATOM 500 CG GLU A 30 12.626 -11.281 -3.884 1.00 14.41 C ATOM 501 CD GLU A 30 13.663 -11.243 -2.805 1.00 41.03 C ATOM 502 OE1 GLU A 30 14.864 -11.379 -3.115 1.00 42.52 O ATOM 503 OE2 GLU A 30 13.306 -11.001 -1.639 1.00 51.22 O ATOM 0 H GLU A 30 12.136 -7.848 -5.620 1.00 11.43 H new ATOM 0 HA GLU A 30 11.759 -10.643 -6.436 1.00 13.12 H new ATOM 0 HB2 GLU A 30 13.586 -9.796 -4.986 1.00 40.30 H new ATOM 0 HB3 GLU A 30 12.384 -9.212 -3.852 1.00 40.30 H new ATOM 0 HG2 GLU A 30 11.648 -11.498 -3.454 1.00 14.41 H new ATOM 0 HG3 GLU A 30 12.850 -12.083 -4.588 1.00 14.41 H new ATOM 510 N GLU A 31 9.475 -10.970 -5.599 1.00 4.45 N ATOM 511 CA GLU A 31 8.067 -11.163 -5.256 1.00 1.52 C ATOM 512 C GLU A 31 7.209 -9.931 -5.652 1.00 11.21 C ATOM 513 O GLU A 31 7.627 -9.101 -6.479 1.00 31.04 O ATOM 514 CB GLU A 31 7.933 -11.511 -3.780 1.00 72.45 C ATOM 515 CG GLU A 31 8.689 -12.774 -3.410 1.00 22.22 C ATOM 516 CD GLU A 31 8.482 -13.190 -1.989 1.00 73.32 C ATOM 517 OE1 GLU A 31 9.148 -12.653 -1.104 1.00 50.24 O ATOM 518 OE2 GLU A 31 7.639 -14.078 -1.738 1.00 23.14 O ATOM 0 H GLU A 31 9.865 -11.726 -6.161 1.00 4.45 H new ATOM 0 HA GLU A 31 7.679 -12.002 -5.834 1.00 1.52 H new ATOM 0 HB2 GLU A 31 8.303 -10.680 -3.179 1.00 72.45 H new ATOM 0 HB3 GLU A 31 6.879 -11.637 -3.534 1.00 72.45 H new ATOM 0 HG2 GLU A 31 8.374 -13.584 -4.068 1.00 22.22 H new ATOM 0 HG3 GLU A 31 9.753 -12.617 -3.584 1.00 22.22 H new ATOM 525 N LYS A 32 6.017 -9.837 -5.116 1.00 60.20 N ATOM 526 CA LYS A 32 5.147 -8.721 -5.440 1.00 4.10 C ATOM 527 C LYS A 32 5.457 -7.549 -4.523 1.00 62.23 C ATOM 528 O LYS A 32 5.743 -7.741 -3.345 1.00 42.40 O ATOM 529 CB LYS A 32 3.679 -9.104 -5.263 1.00 34.52 C ATOM 530 CG LYS A 32 3.244 -10.371 -5.979 1.00 33.22 C ATOM 531 CD LYS A 32 3.443 -10.309 -7.472 1.00 53.24 C ATOM 532 CE LYS A 32 2.934 -11.579 -8.155 1.00 62.51 C ATOM 533 NZ LYS A 32 3.621 -12.811 -7.680 1.00 23.33 N ATOM 0 H LYS A 32 5.625 -10.511 -4.458 1.00 60.20 H new ATOM 0 HA LYS A 32 5.321 -8.447 -6.480 1.00 4.10 H new ATOM 0 HB2 LYS A 32 3.478 -9.222 -4.198 1.00 34.52 H new ATOM 0 HB3 LYS A 32 3.061 -8.278 -5.615 1.00 34.52 H new ATOM 0 HG2 LYS A 32 3.804 -11.217 -5.579 1.00 33.22 H new ATOM 0 HG3 LYS A 32 2.191 -10.557 -5.767 1.00 33.22 H new ATOM 0 HD2 LYS A 32 2.919 -9.442 -7.875 1.00 53.24 H new ATOM 0 HD3 LYS A 32 4.501 -10.173 -7.694 1.00 53.24 H new ATOM 0 HE2 LYS A 32 1.863 -11.676 -7.978 1.00 62.51 H new ATOM 0 HE3 LYS A 32 3.072 -11.485 -9.232 1.00 62.51 H new ATOM 0 HZ1 LYS A 32 3.360 -13.611 -8.291 1.00 23.33 H new ATOM 0 HZ2 LYS A 32 4.651 -12.670 -7.715 1.00 23.33 H new ATOM 0 HZ3 LYS A 32 3.333 -13.014 -6.702 1.00 23.33 H new ATOM 547 N MET A 33 5.402 -6.356 -5.062 1.00 1.41 N ATOM 548 CA MET A 33 5.637 -5.128 -4.289 1.00 14.32 C ATOM 549 C MET A 33 4.292 -4.522 -3.932 1.00 12.43 C ATOM 550 O MET A 33 3.292 -4.798 -4.593 1.00 63.10 O ATOM 551 CB MET A 33 6.433 -4.086 -5.100 1.00 31.24 C ATOM 552 CG MET A 33 7.849 -4.464 -5.590 1.00 72.12 C ATOM 553 SD MET A 33 9.112 -4.699 -4.301 1.00 72.42 S ATOM 554 CE MET A 33 8.713 -6.316 -3.651 1.00 24.25 C ATOM 0 H MET A 33 5.194 -6.193 -6.047 1.00 1.41 H new ATOM 0 HA MET A 33 6.213 -5.389 -3.401 1.00 14.32 H new ATOM 0 HB2 MET A 33 5.839 -3.821 -5.974 1.00 31.24 H new ATOM 0 HB3 MET A 33 6.521 -3.187 -4.490 1.00 31.24 H new ATOM 0 HG2 MET A 33 7.776 -5.384 -6.170 1.00 72.12 H new ATOM 0 HG3 MET A 33 8.195 -3.686 -6.270 1.00 72.12 H new ATOM 0 HE1 MET A 33 9.613 -6.776 -3.243 1.00 24.25 H new ATOM 0 HE2 MET A 33 7.966 -6.217 -2.863 1.00 24.25 H new ATOM 0 HE3 MET A 33 8.316 -6.942 -4.450 1.00 24.25 H new ATOM 564 N VAL A 34 4.259 -3.709 -2.910 1.00 40.55 N ATOM 565 CA VAL A 34 3.025 -3.068 -2.511 1.00 51.32 C ATOM 566 C VAL A 34 2.885 -1.730 -3.209 1.00 12.24 C ATOM 567 O VAL A 34 3.664 -0.803 -2.952 1.00 3.03 O ATOM 568 CB VAL A 34 2.953 -2.858 -0.982 1.00 0.40 C ATOM 569 CG1 VAL A 34 1.650 -2.184 -0.582 1.00 73.12 C ATOM 570 CG2 VAL A 34 3.103 -4.174 -0.267 1.00 60.40 C ATOM 0 H VAL A 34 5.069 -3.472 -2.337 1.00 40.55 H new ATOM 0 HA VAL A 34 2.207 -3.727 -2.801 1.00 51.32 H new ATOM 0 HB VAL A 34 3.774 -2.203 -0.691 1.00 0.40 H new ATOM 0 HG11 VAL A 34 1.627 -2.049 0.499 1.00 73.12 H new ATOM 0 HG12 VAL A 34 1.578 -1.212 -1.071 1.00 73.12 H new ATOM 0 HG13 VAL A 34 0.809 -2.807 -0.888 1.00 73.12 H new ATOM 0 HG21 VAL A 34 3.050 -4.011 0.809 1.00 60.40 H new ATOM 0 HG22 VAL A 34 2.302 -4.847 -0.572 1.00 60.40 H new ATOM 0 HG23 VAL A 34 4.066 -4.618 -0.520 1.00 60.40 H new ATOM 580 N ILE A 35 1.925 -1.645 -4.098 1.00 73.34 N ATOM 581 CA ILE A 35 1.664 -0.435 -4.824 1.00 64.22 C ATOM 582 C ILE A 35 0.477 0.242 -4.198 1.00 13.34 C ATOM 583 O ILE A 35 -0.648 -0.272 -4.252 1.00 12.34 O ATOM 584 CB ILE A 35 1.312 -0.713 -6.301 1.00 11.41 C ATOM 585 CG1 ILE A 35 2.351 -1.624 -6.958 1.00 3.22 C ATOM 586 CG2 ILE A 35 1.162 0.598 -7.077 1.00 1.02 C ATOM 587 CD1 ILE A 35 3.770 -1.086 -6.948 1.00 63.42 C ATOM 0 H ILE A 35 1.303 -2.418 -4.336 1.00 73.34 H new ATOM 0 HA ILE A 35 2.563 0.181 -4.787 1.00 64.22 H new ATOM 0 HB ILE A 35 0.355 -1.235 -6.325 1.00 11.41 H new ATOM 0 HG12 ILE A 35 2.340 -2.588 -6.450 1.00 3.22 H new ATOM 0 HG13 ILE A 35 2.054 -1.804 -7.991 1.00 3.22 H new ATOM 0 HG21 ILE A 35 0.914 0.380 -8.116 1.00 1.02 H new ATOM 0 HG22 ILE A 35 0.366 1.195 -6.632 1.00 1.02 H new ATOM 0 HG23 ILE A 35 2.099 1.154 -7.037 1.00 1.02 H new ATOM 0 HD11 ILE A 35 4.433 -1.801 -7.435 1.00 63.42 H new ATOM 0 HD12 ILE A 35 3.803 -0.137 -7.483 1.00 63.42 H new ATOM 0 HD13 ILE A 35 4.094 -0.934 -5.919 1.00 63.42 H new ATOM 599 N ILE A 36 0.706 1.356 -3.592 1.00 53.31 N ATOM 600 CA ILE A 36 -0.361 2.081 -2.986 1.00 12.01 C ATOM 601 C ILE A 36 -0.622 3.393 -3.653 1.00 14.41 C ATOM 602 O ILE A 36 0.212 4.283 -3.664 1.00 4.04 O ATOM 603 CB ILE A 36 -0.220 2.215 -1.457 1.00 42.01 C ATOM 604 CG1 ILE A 36 -0.539 0.866 -0.802 1.00 45.04 C ATOM 605 CG2 ILE A 36 -1.082 3.344 -0.899 1.00 13.34 C ATOM 606 CD1 ILE A 36 -0.493 0.871 0.694 1.00 43.22 C ATOM 0 H ILE A 36 1.626 1.787 -3.502 1.00 53.31 H new ATOM 0 HA ILE A 36 -1.250 1.472 -3.147 1.00 12.01 H new ATOM 0 HB ILE A 36 0.809 2.485 -1.220 1.00 42.01 H new ATOM 0 HG12 ILE A 36 -1.532 0.549 -1.120 1.00 45.04 H new ATOM 0 HG13 ILE A 36 0.167 0.122 -1.171 1.00 45.04 H new ATOM 0 HG21 ILE A 36 -0.951 3.402 0.182 1.00 13.34 H new ATOM 0 HG22 ILE A 36 -0.782 4.289 -1.352 1.00 13.34 H new ATOM 0 HG23 ILE A 36 -2.130 3.149 -1.128 1.00 13.34 H new ATOM 0 HD11 ILE A 36 -0.732 -0.124 1.069 1.00 43.22 H new ATOM 0 HD12 ILE A 36 0.506 1.154 1.026 1.00 43.22 H new ATOM 0 HD13 ILE A 36 -1.220 1.587 1.078 1.00 43.22 H new ATOM 618 N THR A 37 -1.791 3.499 -4.174 1.00 21.33 N ATOM 619 CA THR A 37 -2.234 4.661 -4.869 1.00 32.15 C ATOM 620 C THR A 37 -3.009 5.506 -3.883 1.00 61.54 C ATOM 621 O THR A 37 -3.894 4.981 -3.187 1.00 35.33 O ATOM 622 CB THR A 37 -3.169 4.223 -5.997 1.00 21.42 C ATOM 623 OG1 THR A 37 -2.502 3.233 -6.801 1.00 54.25 O ATOM 624 CG2 THR A 37 -3.578 5.403 -6.863 1.00 41.43 C ATOM 0 H THR A 37 -2.490 2.758 -4.129 1.00 21.33 H new ATOM 0 HA THR A 37 -1.396 5.221 -5.284 1.00 32.15 H new ATOM 0 HB THR A 37 -4.074 3.802 -5.558 1.00 21.42 H new ATOM 0 HG1 THR A 37 -3.096 2.946 -7.526 1.00 54.25 H new ATOM 0 HG21 THR A 37 -4.242 5.059 -7.656 1.00 41.43 H new ATOM 0 HG22 THR A 37 -4.095 6.142 -6.251 1.00 41.43 H new ATOM 0 HG23 THR A 37 -2.690 5.855 -7.304 1.00 41.43 H new ATOM 632 N THR A 38 -2.694 6.773 -3.783 1.00 51.30 N ATOM 633 CA THR A 38 -3.369 7.568 -2.812 1.00 31.21 C ATOM 634 C THR A 38 -4.525 8.366 -3.436 1.00 64.43 C ATOM 635 O THR A 38 -4.563 8.580 -4.657 1.00 34.11 O ATOM 636 CB THR A 38 -2.358 8.494 -2.072 1.00 1.23 C ATOM 637 OG1 THR A 38 -1.611 9.301 -3.014 1.00 25.20 O ATOM 638 CG2 THR A 38 -1.376 7.655 -1.260 1.00 30.45 C ATOM 0 H THR A 38 -1.995 7.257 -4.347 1.00 51.30 H new ATOM 0 HA THR A 38 -3.815 6.900 -2.075 1.00 31.21 H new ATOM 0 HB THR A 38 -2.927 9.148 -1.411 1.00 1.23 H new ATOM 0 HG1 THR A 38 -0.968 8.736 -3.491 1.00 25.20 H new ATOM 0 HG21 THR A 38 -0.674 8.312 -0.747 1.00 30.45 H new ATOM 0 HG22 THR A 38 -1.923 7.064 -0.526 1.00 30.45 H new ATOM 0 HG23 THR A 38 -0.829 6.989 -1.927 1.00 30.45 H new ATOM 646 N LYS A 39 -5.479 8.746 -2.598 1.00 53.14 N ATOM 647 CA LYS A 39 -6.634 9.540 -3.022 1.00 63.30 C ATOM 648 C LYS A 39 -6.268 11.013 -3.145 1.00 65.21 C ATOM 649 O LYS A 39 -6.514 11.654 -4.170 1.00 64.43 O ATOM 650 CB LYS A 39 -7.760 9.338 -1.990 1.00 41.21 C ATOM 651 CG LYS A 39 -9.066 10.073 -2.271 1.00 62.00 C ATOM 652 CD LYS A 39 -10.117 9.694 -1.228 1.00 4.21 C ATOM 653 CE LYS A 39 -11.443 10.411 -1.444 1.00 74.13 C ATOM 654 NZ LYS A 39 -11.324 11.875 -1.292 1.00 3.55 N ATOM 0 H LYS A 39 -5.478 8.515 -1.604 1.00 53.14 H new ATOM 0 HA LYS A 39 -6.968 9.211 -4.006 1.00 63.30 H new ATOM 0 HB2 LYS A 39 -7.974 8.272 -1.920 1.00 41.21 H new ATOM 0 HB3 LYS A 39 -7.392 9.654 -1.014 1.00 41.21 H new ATOM 0 HG2 LYS A 39 -8.897 11.150 -2.254 1.00 62.00 H new ATOM 0 HG3 LYS A 39 -9.426 9.823 -3.269 1.00 62.00 H new ATOM 0 HD2 LYS A 39 -10.282 8.617 -1.259 1.00 4.21 H new ATOM 0 HD3 LYS A 39 -9.738 9.931 -0.234 1.00 4.21 H new ATOM 0 HE2 LYS A 39 -11.818 10.182 -2.441 1.00 74.13 H new ATOM 0 HE3 LYS A 39 -12.177 10.033 -0.732 1.00 74.13 H new ATOM 0 HZ1 LYS A 39 -12.271 12.304 -1.313 1.00 3.55 H new ATOM 0 HZ2 LYS A 39 -10.865 12.094 -0.385 1.00 3.55 H new ATOM 0 HZ3 LYS A 39 -10.752 12.260 -2.071 1.00 3.55 H new ATOM 668 N SER A 40 -5.634 11.481 -2.091 1.00 50.31 N ATOM 669 CA SER A 40 -5.186 12.842 -1.812 1.00 54.44 C ATOM 670 C SER A 40 -4.768 12.796 -0.354 1.00 23.52 C ATOM 671 O SER A 40 -4.676 11.684 0.195 1.00 23.11 O ATOM 672 CB SER A 40 -6.313 13.907 -1.993 1.00 64.21 C ATOM 673 OG SER A 40 -6.675 14.090 -3.359 1.00 31.21 O ATOM 0 H SER A 40 -5.391 10.856 -1.323 1.00 50.31 H new ATOM 0 HA SER A 40 -4.393 13.137 -2.500 1.00 54.44 H new ATOM 0 HB2 SER A 40 -7.192 13.602 -1.425 1.00 64.21 H new ATOM 0 HB3 SER A 40 -5.980 14.858 -1.578 1.00 64.21 H new ATOM 0 HG SER A 40 -6.418 13.297 -3.875 1.00 31.21 H new ATOM 679 N VAL A 41 -4.488 13.948 0.267 1.00 31.45 N ATOM 680 CA VAL A 41 -4.123 14.046 1.714 1.00 5.15 C ATOM 681 C VAL A 41 -2.696 13.511 1.994 1.00 23.30 C ATOM 682 O VAL A 41 -1.967 14.033 2.847 1.00 35.13 O ATOM 683 CB VAL A 41 -5.179 13.342 2.644 1.00 24.41 C ATOM 684 CG1 VAL A 41 -4.790 13.437 4.110 1.00 25.34 C ATOM 685 CG2 VAL A 41 -6.564 13.943 2.434 1.00 52.11 C ATOM 0 H VAL A 41 -4.504 14.850 -0.208 1.00 31.45 H new ATOM 0 HA VAL A 41 -4.130 15.109 1.956 1.00 5.15 H new ATOM 0 HB VAL A 41 -5.201 12.287 2.369 1.00 24.41 H new ATOM 0 HG11 VAL A 41 -5.544 12.939 4.720 1.00 25.34 H new ATOM 0 HG12 VAL A 41 -3.824 12.955 4.262 1.00 25.34 H new ATOM 0 HG13 VAL A 41 -4.722 14.485 4.401 1.00 25.34 H new ATOM 0 HG21 VAL A 41 -7.280 13.443 3.086 1.00 52.11 H new ATOM 0 HG22 VAL A 41 -6.539 15.007 2.671 1.00 52.11 H new ATOM 0 HG23 VAL A 41 -6.865 13.810 1.395 1.00 52.11 H new ATOM 695 N SER A 42 -2.321 12.493 1.276 1.00 10.53 N ATOM 696 CA SER A 42 -1.034 11.904 1.387 1.00 45.11 C ATOM 697 C SER A 42 -0.037 12.785 0.645 1.00 72.31 C ATOM 698 O SER A 42 -0.402 13.464 -0.325 1.00 71.43 O ATOM 699 CB SER A 42 -1.071 10.514 0.750 1.00 13.41 C ATOM 700 OG SER A 42 0.082 9.742 1.079 1.00 33.44 O ATOM 0 H SER A 42 -2.921 12.045 0.583 1.00 10.53 H new ATOM 0 HA SER A 42 -0.740 11.814 2.433 1.00 45.11 H new ATOM 0 HB2 SER A 42 -1.966 9.987 1.082 1.00 13.41 H new ATOM 0 HB3 SER A 42 -1.143 10.614 -0.333 1.00 13.41 H new ATOM 0 HG SER A 42 -0.056 9.300 1.943 1.00 33.44 H new ATOM 706 N ARG A 43 1.203 12.759 1.083 1.00 70.13 N ATOM 707 CA ARG A 43 2.299 13.550 0.494 1.00 22.21 C ATOM 708 C ARG A 43 2.536 13.279 -1.007 1.00 35.24 C ATOM 709 O ARG A 43 3.215 14.041 -1.676 1.00 3.44 O ATOM 710 CB ARG A 43 3.618 13.433 1.317 1.00 43.22 C ATOM 711 CG ARG A 43 4.238 12.020 1.505 1.00 24.41 C ATOM 712 CD ARG A 43 3.325 11.049 2.278 1.00 2.23 C ATOM 713 NE ARG A 43 2.821 11.638 3.534 1.00 54.52 N ATOM 714 CZ ARG A 43 1.802 11.150 4.279 1.00 24.03 C ATOM 715 NH1 ARG A 43 1.311 9.940 4.044 1.00 73.01 N ATOM 716 NH2 ARG A 43 1.321 11.854 5.291 1.00 31.30 N ATOM 0 H ARG A 43 1.499 12.183 1.871 1.00 70.13 H new ATOM 0 HA ARG A 43 1.962 14.585 0.553 1.00 22.21 H new ATOM 0 HB2 ARG A 43 4.367 14.065 0.840 1.00 43.22 H new ATOM 0 HB3 ARG A 43 3.432 13.851 2.307 1.00 43.22 H new ATOM 0 HG2 ARG A 43 4.461 11.596 0.526 1.00 24.41 H new ATOM 0 HG3 ARG A 43 5.186 12.115 2.034 1.00 24.41 H new ATOM 0 HD2 ARG A 43 2.482 10.766 1.648 1.00 2.23 H new ATOM 0 HD3 ARG A 43 3.876 10.136 2.502 1.00 2.23 H new ATOM 0 HE ARG A 43 3.280 12.485 3.869 1.00 54.52 H new ATOM 0 HH11 ARG A 43 1.702 9.368 3.296 1.00 73.01 H new ATOM 0 HH12 ARG A 43 0.543 9.582 4.612 1.00 73.01 H new ATOM 0 HH21 ARG A 43 1.718 12.767 5.511 1.00 31.30 H new ATOM 0 HH22 ARG A 43 0.553 11.483 5.851 1.00 31.30 H new ATOM 730 N TYR A 44 1.969 12.211 -1.524 1.00 32.33 N ATOM 731 CA TYR A 44 2.078 11.918 -2.943 1.00 4.10 C ATOM 732 C TYR A 44 0.999 12.597 -3.768 1.00 73.33 C ATOM 733 O TYR A 44 1.101 12.644 -4.984 1.00 54.53 O ATOM 734 CB TYR A 44 2.137 10.426 -3.226 1.00 4.05 C ATOM 735 CG TYR A 44 3.497 9.824 -3.013 1.00 10.04 C ATOM 736 CD1 TYR A 44 3.948 9.498 -1.760 1.00 33.32 C ATOM 737 CD2 TYR A 44 4.331 9.581 -4.095 1.00 4.32 C ATOM 738 CE1 TYR A 44 5.200 8.942 -1.574 1.00 52.15 C ATOM 739 CE2 TYR A 44 5.579 9.026 -3.927 1.00 64.22 C ATOM 740 CZ TYR A 44 6.009 8.708 -2.666 1.00 32.35 C ATOM 741 OH TYR A 44 7.251 8.148 -2.490 1.00 25.13 O ATOM 0 H TYR A 44 1.429 11.531 -0.989 1.00 32.33 H new ATOM 0 HA TYR A 44 3.031 12.343 -3.258 1.00 4.10 H new ATOM 0 HB2 TYR A 44 1.419 9.915 -2.585 1.00 4.05 H new ATOM 0 HB3 TYR A 44 1.828 10.248 -4.256 1.00 4.05 H new ATOM 0 HD1 TYR A 44 3.315 9.679 -0.904 1.00 33.32 H new ATOM 0 HD2 TYR A 44 3.994 9.833 -5.090 1.00 4.32 H new ATOM 0 HE1 TYR A 44 5.542 8.693 -0.580 1.00 52.15 H new ATOM 0 HE2 TYR A 44 6.214 8.843 -4.782 1.00 64.22 H new ATOM 0 HH TYR A 44 7.691 8.049 -3.360 1.00 25.13 H new ATOM 751 N ARG A 45 -0.033 13.114 -3.095 1.00 72.34 N ATOM 752 CA ARG A 45 -1.109 13.879 -3.718 1.00 42.13 C ATOM 753 C ARG A 45 -1.800 13.074 -4.862 1.00 72.35 C ATOM 754 O ARG A 45 -2.194 13.613 -5.897 1.00 44.44 O ATOM 755 CB ARG A 45 -0.519 15.206 -4.195 1.00 30.31 C ATOM 756 CG ARG A 45 -1.529 16.245 -4.575 1.00 34.42 C ATOM 757 CD ARG A 45 -0.838 17.539 -4.924 1.00 3.14 C ATOM 758 NE ARG A 45 -1.766 18.620 -5.234 1.00 53.43 N ATOM 759 CZ ARG A 45 -1.444 19.915 -5.158 1.00 33.21 C ATOM 760 NH1 ARG A 45 -0.211 20.282 -4.796 1.00 52.13 N ATOM 761 NH2 ARG A 45 -2.345 20.841 -5.447 1.00 23.12 N ATOM 0 H ARG A 45 -0.143 13.009 -2.086 1.00 72.34 H new ATOM 0 HA ARG A 45 -1.902 14.079 -2.997 1.00 42.13 H new ATOM 0 HB2 ARG A 45 0.116 15.609 -3.406 1.00 30.31 H new ATOM 0 HB3 ARG A 45 0.123 15.013 -5.054 1.00 30.31 H new ATOM 0 HG2 ARG A 45 -2.117 15.898 -5.424 1.00 34.42 H new ATOM 0 HG3 ARG A 45 -2.224 16.406 -3.751 1.00 34.42 H new ATOM 0 HD2 ARG A 45 -0.204 17.841 -4.091 1.00 3.14 H new ATOM 0 HD3 ARG A 45 -0.183 17.374 -5.780 1.00 3.14 H new ATOM 0 HE ARG A 45 -2.712 18.375 -5.525 1.00 53.43 H new ATOM 0 HH11 ARG A 45 0.488 19.573 -4.576 1.00 52.13 H new ATOM 0 HH12 ARG A 45 0.031 21.271 -4.739 1.00 52.13 H new ATOM 0 HH21 ARG A 45 -3.286 20.567 -5.728 1.00 23.12 H new ATOM 0 HH22 ARG A 45 -2.098 21.829 -5.389 1.00 23.12 H new ATOM 775 N GLY A 46 -1.996 11.793 -4.614 1.00 51.20 N ATOM 776 CA GLY A 46 -2.649 10.922 -5.576 1.00 54.31 C ATOM 777 C GLY A 46 -1.666 10.080 -6.362 1.00 21.44 C ATOM 778 O GLY A 46 -2.057 9.276 -7.202 1.00 44.33 O ATOM 0 H GLY A 46 -1.711 11.330 -3.751 1.00 51.20 H new ATOM 0 HA2 GLY A 46 -3.346 10.267 -5.053 1.00 54.31 H new ATOM 0 HA3 GLY A 46 -3.237 11.526 -6.267 1.00 54.31 H new ATOM 782 N GLN A 47 -0.405 10.261 -6.079 1.00 61.11 N ATOM 783 CA GLN A 47 0.655 9.444 -6.647 1.00 14.10 C ATOM 784 C GLN A 47 0.867 8.178 -5.824 1.00 75.15 C ATOM 785 O GLN A 47 0.441 8.105 -4.641 1.00 22.45 O ATOM 786 CB GLN A 47 1.959 10.227 -6.913 1.00 3.42 C ATOM 787 CG GLN A 47 1.961 11.073 -8.205 1.00 62.14 C ATOM 788 CD GLN A 47 0.819 12.074 -8.326 1.00 73.30 C ATOM 789 OE1 GLN A 47 0.927 13.217 -7.905 1.00 61.00 O ATOM 790 NE2 GLN A 47 -0.261 11.662 -8.934 1.00 55.22 N ATOM 0 H GLN A 47 -0.072 10.985 -5.442 1.00 61.11 H new ATOM 0 HA GLN A 47 0.323 9.132 -7.637 1.00 14.10 H new ATOM 0 HB2 GLN A 47 2.149 10.885 -6.065 1.00 3.42 H new ATOM 0 HB3 GLN A 47 2.787 9.519 -6.959 1.00 3.42 H new ATOM 0 HG2 GLN A 47 2.905 11.614 -8.264 1.00 62.14 H new ATOM 0 HG3 GLN A 47 1.925 10.400 -9.061 1.00 62.14 H new ATOM 0 HE21 GLN A 47 -0.320 10.702 -9.274 1.00 55.22 H new ATOM 0 HE22 GLN A 47 -1.045 12.300 -9.069 1.00 55.22 H new ATOM 799 N GLU A 48 1.468 7.178 -6.428 1.00 65.54 N ATOM 800 CA GLU A 48 1.579 5.884 -5.806 1.00 3.02 C ATOM 801 C GLU A 48 2.860 5.755 -4.987 1.00 53.22 C ATOM 802 O GLU A 48 3.880 6.369 -5.281 1.00 73.14 O ATOM 803 CB GLU A 48 1.552 4.735 -6.840 1.00 43.11 C ATOM 804 CG GLU A 48 0.343 4.666 -7.781 1.00 23.41 C ATOM 805 CD GLU A 48 0.328 5.753 -8.828 1.00 72.34 C ATOM 806 OE1 GLU A 48 1.197 5.721 -9.720 1.00 15.24 O ATOM 807 OE2 GLU A 48 -0.531 6.643 -8.775 1.00 63.11 O ATOM 0 H GLU A 48 1.889 7.240 -7.355 1.00 65.54 H new ATOM 0 HA GLU A 48 0.712 5.802 -5.150 1.00 3.02 H new ATOM 0 HB2 GLU A 48 2.452 4.809 -7.451 1.00 43.11 H new ATOM 0 HB3 GLU A 48 1.612 3.791 -6.298 1.00 43.11 H new ATOM 0 HG2 GLU A 48 0.334 3.695 -8.277 1.00 23.41 H new ATOM 0 HG3 GLU A 48 -0.571 4.730 -7.190 1.00 23.41 H new ATOM 814 N HIS A 49 2.764 4.955 -3.954 1.00 54.51 N ATOM 815 CA HIS A 49 3.865 4.611 -3.067 1.00 3.14 C ATOM 816 C HIS A 49 4.282 3.196 -3.379 1.00 41.44 C ATOM 817 O HIS A 49 3.479 2.424 -3.929 1.00 22.15 O ATOM 818 CB HIS A 49 3.423 4.584 -1.585 1.00 62.11 C ATOM 819 CG HIS A 49 2.967 5.865 -0.949 1.00 14.34 C ATOM 820 ND1 HIS A 49 3.505 6.333 0.237 1.00 4.34 N ATOM 821 CD2 HIS A 49 1.952 6.705 -1.251 1.00 2.33 C ATOM 822 CE1 HIS A 49 2.844 7.396 0.636 1.00 22.14 C ATOM 823 NE2 HIS A 49 1.895 7.653 -0.240 1.00 35.35 N ATOM 0 H HIS A 49 1.887 4.505 -3.692 1.00 54.51 H new ATOM 0 HA HIS A 49 4.652 5.351 -3.213 1.00 3.14 H new ATOM 0 HB2 HIS A 49 2.611 3.862 -1.494 1.00 62.11 H new ATOM 0 HB3 HIS A 49 4.257 4.201 -0.997 1.00 62.11 H new ATOM 0 HD2 HIS A 49 1.307 6.649 -2.116 1.00 2.33 H new ATOM 0 HE1 HIS A 49 3.045 7.964 1.532 1.00 22.14 H new ATOM 0 HE2 HIS A 49 1.228 8.423 -0.184 1.00 35.35 H new ATOM 832 N CYS A 50 5.488 2.845 -3.045 1.00 23.22 N ATOM 833 CA CYS A 50 5.907 1.488 -3.139 1.00 62.44 C ATOM 834 C CYS A 50 6.534 1.118 -1.825 1.00 5.33 C ATOM 835 O CYS A 50 7.445 1.802 -1.338 1.00 25.40 O ATOM 836 CB CYS A 50 6.812 1.223 -4.375 1.00 71.42 C ATOM 837 SG CYS A 50 8.241 2.351 -4.590 1.00 52.43 S ATOM 0 H CYS A 50 6.201 3.489 -2.703 1.00 23.22 H new ATOM 0 HA CYS A 50 5.051 0.837 -3.316 1.00 62.44 H new ATOM 0 HB2 CYS A 50 7.188 0.202 -4.311 1.00 71.42 H new ATOM 0 HB3 CYS A 50 6.193 1.279 -5.271 1.00 71.42 H new ATOM 842 N LEU A 51 6.030 0.071 -1.231 1.00 44.20 N ATOM 843 CA LEU A 51 6.431 -0.291 0.100 1.00 35.23 C ATOM 844 C LEU A 51 7.017 -1.691 0.060 1.00 31.12 C ATOM 845 O LEU A 51 6.521 -2.559 -0.677 1.00 53.12 O ATOM 846 CB LEU A 51 5.170 -0.217 1.029 1.00 24.44 C ATOM 847 CG LEU A 51 5.364 -0.052 2.565 1.00 25.35 C ATOM 848 CD1 LEU A 51 4.017 0.148 3.234 1.00 40.34 C ATOM 849 CD2 LEU A 51 6.064 -1.233 3.196 1.00 51.40 C ATOM 0 H LEU A 51 5.337 -0.549 -1.651 1.00 44.20 H new ATOM 0 HA LEU A 51 7.190 0.387 0.492 1.00 35.23 H new ATOM 0 HB2 LEU A 51 4.558 0.617 0.685 1.00 24.44 H new ATOM 0 HB3 LEU A 51 4.590 -1.126 0.868 1.00 24.44 H new ATOM 0 HG LEU A 51 5.999 0.822 2.713 1.00 25.35 H new ATOM 0 HD11 LEU A 51 4.158 0.263 4.309 1.00 40.34 H new ATOM 0 HD12 LEU A 51 3.541 1.043 2.833 1.00 40.34 H new ATOM 0 HD13 LEU A 51 3.383 -0.718 3.042 1.00 40.34 H new ATOM 0 HD21 LEU A 51 6.172 -1.062 4.267 1.00 51.40 H new ATOM 0 HD22 LEU A 51 5.476 -2.136 3.030 1.00 51.40 H new ATOM 0 HD23 LEU A 51 7.050 -1.354 2.747 1.00 51.40 H new ATOM 861 N HIS A 52 8.075 -1.888 0.821 1.00 22.33 N ATOM 862 CA HIS A 52 8.758 -3.156 0.947 1.00 41.42 C ATOM 863 C HIS A 52 7.894 -4.155 1.755 1.00 30.45 C ATOM 864 O HIS A 52 7.784 -4.057 2.977 1.00 10.32 O ATOM 865 CB HIS A 52 10.152 -2.917 1.579 1.00 5.22 C ATOM 866 CG HIS A 52 10.933 -4.144 1.912 1.00 53.45 C ATOM 867 ND1 HIS A 52 11.332 -5.076 0.982 1.00 33.13 N ATOM 868 CD2 HIS A 52 11.359 -4.603 3.099 1.00 62.24 C ATOM 869 CE1 HIS A 52 11.958 -6.055 1.588 1.00 43.55 C ATOM 870 NE2 HIS A 52 11.995 -5.789 2.872 1.00 11.32 N ATOM 0 H HIS A 52 8.494 -1.148 1.384 1.00 22.33 H new ATOM 0 HA HIS A 52 8.910 -3.606 -0.034 1.00 41.42 H new ATOM 0 HB2 HIS A 52 10.742 -2.309 0.893 1.00 5.22 H new ATOM 0 HB3 HIS A 52 10.022 -2.334 2.490 1.00 5.22 H new ATOM 0 HD2 HIS A 52 11.224 -4.123 4.057 1.00 62.24 H new ATOM 0 HE1 HIS A 52 12.373 -6.931 1.112 1.00 43.55 H new ATOM 0 HE2 HIS A 52 12.429 -6.374 3.586 1.00 11.32 H new ATOM 879 N PRO A 53 7.290 -5.144 1.063 1.00 11.24 N ATOM 880 CA PRO A 53 6.305 -6.068 1.656 1.00 12.42 C ATOM 881 C PRO A 53 6.898 -7.141 2.529 1.00 73.13 C ATOM 882 O PRO A 53 6.173 -7.904 3.124 1.00 52.21 O ATOM 883 CB PRO A 53 5.652 -6.709 0.452 1.00 12.43 C ATOM 884 CG PRO A 53 6.699 -6.680 -0.601 1.00 44.32 C ATOM 885 CD PRO A 53 7.511 -5.440 -0.368 1.00 33.25 C ATOM 0 HA PRO A 53 5.631 -5.522 2.317 1.00 12.42 H new ATOM 0 HB2 PRO A 53 5.336 -7.729 0.669 1.00 12.43 H new ATOM 0 HB3 PRO A 53 4.763 -6.159 0.143 1.00 12.43 H new ATOM 0 HG2 PRO A 53 7.327 -7.569 -0.547 1.00 44.32 H new ATOM 0 HG3 PRO A 53 6.249 -6.667 -1.594 1.00 44.32 H new ATOM 0 HD2 PRO A 53 8.566 -5.605 -0.585 1.00 33.25 H new ATOM 0 HD3 PRO A 53 7.180 -4.619 -1.003 1.00 33.25 H new ATOM 893 N LYS A 54 8.207 -7.204 2.609 1.00 23.51 N ATOM 894 CA LYS A 54 8.848 -8.223 3.413 1.00 14.32 C ATOM 895 C LYS A 54 8.692 -7.990 4.908 1.00 64.14 C ATOM 896 O LYS A 54 8.971 -8.875 5.718 1.00 1.21 O ATOM 897 CB LYS A 54 10.299 -8.502 3.027 1.00 1.00 C ATOM 898 CG LYS A 54 10.428 -9.334 1.763 1.00 32.53 C ATOM 899 CD LYS A 54 9.884 -8.642 0.530 1.00 53.53 C ATOM 900 CE LYS A 54 9.658 -9.622 -0.610 1.00 54.34 C ATOM 901 NZ LYS A 54 10.777 -10.577 -0.786 1.00 44.42 N ATOM 0 H LYS A 54 8.846 -6.568 2.132 1.00 23.51 H new ATOM 0 HA LYS A 54 8.300 -9.135 3.177 1.00 14.32 H new ATOM 0 HB2 LYS A 54 10.820 -7.555 2.887 1.00 1.00 H new ATOM 0 HB3 LYS A 54 10.794 -9.020 3.848 1.00 1.00 H new ATOM 0 HG2 LYS A 54 11.479 -9.576 1.601 1.00 32.53 H new ATOM 0 HG3 LYS A 54 9.902 -10.278 1.903 1.00 32.53 H new ATOM 0 HD2 LYS A 54 8.945 -8.146 0.775 1.00 53.53 H new ATOM 0 HD3 LYS A 54 10.580 -7.866 0.211 1.00 53.53 H new ATOM 0 HE2 LYS A 54 8.739 -10.178 -0.426 1.00 54.34 H new ATOM 0 HE3 LYS A 54 9.514 -9.066 -1.536 1.00 54.34 H new ATOM 0 HZ1 LYS A 54 10.437 -11.421 -1.290 1.00 44.42 H new ATOM 0 HZ2 LYS A 54 11.535 -10.126 -1.338 1.00 44.42 H new ATOM 0 HZ3 LYS A 54 11.146 -10.855 0.146 1.00 44.42 H new ATOM 915 N LEU A 55 8.252 -6.799 5.265 1.00 12.22 N ATOM 916 CA LEU A 55 8.085 -6.415 6.652 1.00 2.42 C ATOM 917 C LEU A 55 6.740 -6.921 7.150 1.00 34.42 C ATOM 918 O LEU A 55 5.741 -6.858 6.429 1.00 61.42 O ATOM 919 CB LEU A 55 8.126 -4.887 6.763 1.00 0.12 C ATOM 920 CG LEU A 55 9.386 -4.201 6.227 1.00 25.22 C ATOM 921 CD1 LEU A 55 9.242 -2.693 6.303 1.00 2.35 C ATOM 922 CD2 LEU A 55 10.622 -4.658 6.992 1.00 71.45 C ATOM 0 H LEU A 55 8.000 -6.069 4.599 1.00 12.22 H new ATOM 0 HA LEU A 55 8.886 -6.846 7.253 1.00 2.42 H new ATOM 0 HB2 LEU A 55 7.264 -4.482 6.232 1.00 0.12 H new ATOM 0 HB3 LEU A 55 8.010 -4.617 7.813 1.00 0.12 H new ATOM 0 HG LEU A 55 9.509 -4.486 5.182 1.00 25.22 H new ATOM 0 HD11 LEU A 55 10.146 -2.221 5.918 1.00 2.35 H new ATOM 0 HD12 LEU A 55 8.386 -2.379 5.706 1.00 2.35 H new ATOM 0 HD13 LEU A 55 9.090 -2.394 7.340 1.00 2.35 H new ATOM 0 HD21 LEU A 55 11.503 -4.156 6.592 1.00 71.45 H new ATOM 0 HD22 LEU A 55 10.510 -4.408 8.047 1.00 71.45 H new ATOM 0 HD23 LEU A 55 10.738 -5.736 6.885 1.00 71.45 H new ATOM 934 N GLN A 56 6.716 -7.411 8.378 1.00 42.22 N ATOM 935 CA GLN A 56 5.516 -7.999 8.967 1.00 43.14 C ATOM 936 C GLN A 56 4.403 -6.951 9.125 1.00 30.51 C ATOM 937 O GLN A 56 3.203 -7.270 9.046 1.00 5.24 O ATOM 938 CB GLN A 56 5.851 -8.642 10.314 1.00 75.33 C ATOM 939 CG GLN A 56 4.688 -9.381 10.953 1.00 15.11 C ATOM 940 CD GLN A 56 5.034 -10.015 12.287 1.00 70.40 C ATOM 941 OE1 GLN A 56 5.931 -9.411 13.024 1.00 41.42 O flip ATOM 942 NE2 GLN A 56 4.469 -11.046 12.658 1.00 52.12 N flip ATOM 0 H GLN A 56 7.526 -7.414 8.998 1.00 42.22 H new ATOM 0 HA GLN A 56 5.148 -8.772 8.292 1.00 43.14 H new ATOM 0 HB2 GLN A 56 6.679 -9.338 10.177 1.00 75.33 H new ATOM 0 HB3 GLN A 56 6.196 -7.867 10.999 1.00 75.33 H new ATOM 0 HG2 GLN A 56 3.860 -8.687 11.094 1.00 15.11 H new ATOM 0 HG3 GLN A 56 4.341 -10.157 10.270 1.00 15.11 H new ATOM 0 HE21 GLN A 56 3.774 -11.491 12.058 1.00 52.12 H new ATOM 0 HE22 GLN A 56 4.696 -11.454 13.565 1.00 52.12 H new ATOM 951 N SER A 57 4.814 -5.711 9.315 1.00 11.00 N ATOM 952 CA SER A 57 3.903 -4.598 9.464 1.00 5.45 C ATOM 953 C SER A 57 3.093 -4.406 8.184 1.00 30.21 C ATOM 954 O SER A 57 1.892 -4.102 8.234 1.00 11.31 O ATOM 955 CB SER A 57 4.702 -3.315 9.797 1.00 43.35 C ATOM 956 OG SER A 57 3.858 -2.184 9.984 1.00 63.53 O ATOM 0 H SER A 57 5.798 -5.449 9.370 1.00 11.00 H new ATOM 0 HA SER A 57 3.211 -4.806 10.280 1.00 5.45 H new ATOM 0 HB2 SER A 57 5.289 -3.480 10.700 1.00 43.35 H new ATOM 0 HB3 SER A 57 5.407 -3.110 8.991 1.00 43.35 H new ATOM 0 HG SER A 57 4.405 -1.398 10.193 1.00 63.53 H new ATOM 962 N THR A 58 3.737 -4.631 7.050 1.00 54.30 N ATOM 963 CA THR A 58 3.117 -4.434 5.778 1.00 21.42 C ATOM 964 C THR A 58 1.952 -5.420 5.598 1.00 53.14 C ATOM 965 O THR A 58 0.906 -5.047 5.100 1.00 61.10 O ATOM 966 CB THR A 58 4.140 -4.603 4.648 1.00 10.32 C ATOM 967 OG1 THR A 58 5.342 -3.899 5.017 1.00 20.34 O ATOM 968 CG2 THR A 58 3.596 -3.993 3.357 1.00 61.52 C ATOM 0 H THR A 58 4.703 -4.955 7.000 1.00 54.30 H new ATOM 0 HA THR A 58 2.725 -3.418 5.736 1.00 21.42 H new ATOM 0 HB THR A 58 4.341 -5.663 4.491 1.00 10.32 H new ATOM 0 HG1 THR A 58 6.014 -4.007 4.312 1.00 20.34 H new ATOM 0 HG21 THR A 58 4.328 -4.117 2.559 1.00 61.52 H new ATOM 0 HG22 THR A 58 2.669 -4.495 3.080 1.00 61.52 H new ATOM 0 HG23 THR A 58 3.402 -2.931 3.510 1.00 61.52 H new ATOM 976 N LYS A 59 2.137 -6.669 6.055 1.00 43.42 N ATOM 977 CA LYS A 59 1.075 -7.675 5.978 1.00 20.13 C ATOM 978 C LYS A 59 -0.158 -7.230 6.710 1.00 1.43 C ATOM 979 O LYS A 59 -1.265 -7.337 6.182 1.00 33.03 O ATOM 980 CB LYS A 59 1.510 -9.056 6.470 1.00 33.11 C ATOM 981 CG LYS A 59 2.464 -9.818 5.557 1.00 24.25 C ATOM 982 CD LYS A 59 3.843 -9.200 5.467 1.00 12.23 C ATOM 983 CE LYS A 59 4.786 -10.053 4.625 1.00 15.15 C ATOM 984 NZ LYS A 59 4.320 -10.210 3.223 1.00 22.52 N ATOM 0 H LYS A 59 3.004 -7.000 6.477 1.00 43.42 H new ATOM 0 HA LYS A 59 0.843 -7.774 4.917 1.00 20.13 H new ATOM 0 HB2 LYS A 59 1.985 -8.940 7.444 1.00 33.11 H new ATOM 0 HB3 LYS A 59 0.618 -9.664 6.620 1.00 33.11 H new ATOM 0 HG2 LYS A 59 2.557 -10.842 5.917 1.00 24.25 H new ATOM 0 HG3 LYS A 59 2.033 -9.870 4.557 1.00 24.25 H new ATOM 0 HD2 LYS A 59 3.768 -8.203 5.033 1.00 12.23 H new ATOM 0 HD3 LYS A 59 4.255 -9.081 6.469 1.00 12.23 H new ATOM 0 HE2 LYS A 59 5.777 -9.600 4.625 1.00 15.15 H new ATOM 0 HE3 LYS A 59 4.885 -11.037 5.083 1.00 15.15 H new ATOM 0 HZ1 LYS A 59 5.059 -10.680 2.662 1.00 22.52 H new ATOM 0 HZ2 LYS A 59 3.454 -10.786 3.207 1.00 22.52 H new ATOM 0 HZ3 LYS A 59 4.120 -9.274 2.817 1.00 22.52 H new ATOM 998 N ARG A 60 0.012 -6.705 7.919 1.00 30.01 N ATOM 999 CA ARG A 60 -1.123 -6.197 8.624 1.00 14.20 C ATOM 1000 C ARG A 60 -1.747 -5.065 7.901 1.00 21.34 C ATOM 1001 O ARG A 60 -2.927 -5.036 7.777 1.00 23.41 O ATOM 1002 CB ARG A 60 -0.859 -5.818 10.068 1.00 74.53 C ATOM 1003 CG ARG A 60 -1.068 -6.930 11.061 1.00 63.55 C ATOM 1004 CD ARG A 60 -0.019 -8.015 10.961 1.00 14.22 C ATOM 1005 NE ARG A 60 -0.323 -9.131 11.856 1.00 31.30 N ATOM 1006 CZ ARG A 60 0.555 -9.774 12.626 1.00 64.32 C ATOM 1007 NH1 ARG A 60 1.792 -9.313 12.763 1.00 71.33 N ATOM 1008 NH2 ARG A 60 0.180 -10.853 13.292 1.00 51.14 N ATOM 0 H ARG A 60 0.904 -6.628 8.407 1.00 30.01 H new ATOM 0 HA ARG A 60 -1.819 -7.035 8.661 1.00 14.20 H new ATOM 0 HB2 ARG A 60 0.168 -5.462 10.154 1.00 74.53 H new ATOM 0 HB3 ARG A 60 -1.509 -4.985 10.335 1.00 74.53 H new ATOM 0 HG2 ARG A 60 -1.060 -6.516 12.069 1.00 63.55 H new ATOM 0 HG3 ARG A 60 -2.053 -7.369 10.905 1.00 63.55 H new ATOM 0 HD2 ARG A 60 0.038 -8.375 9.934 1.00 14.22 H new ATOM 0 HD3 ARG A 60 0.959 -7.603 11.209 1.00 14.22 H new ATOM 0 HE ARG A 60 -1.293 -9.445 11.894 1.00 31.30 H new ATOM 0 HH11 ARG A 60 2.076 -8.462 12.278 1.00 71.33 H new ATOM 0 HH12 ARG A 60 2.459 -9.810 13.354 1.00 71.33 H new ATOM 0 HH21 ARG A 60 -0.779 -11.192 13.216 1.00 51.14 H new ATOM 0 HH22 ARG A 60 0.850 -11.347 13.882 1.00 51.14 H new ATOM 1022 N PHE A 61 -0.940 -4.164 7.380 1.00 1.04 N ATOM 1023 CA PHE A 61 -1.454 -3.004 6.676 1.00 32.42 C ATOM 1024 C PHE A 61 -2.308 -3.445 5.481 1.00 32.33 C ATOM 1025 O PHE A 61 -3.374 -2.888 5.242 1.00 3.44 O ATOM 1026 CB PHE A 61 -0.310 -2.131 6.187 1.00 54.33 C ATOM 1027 CG PHE A 61 -0.732 -0.740 5.741 1.00 71.33 C ATOM 1028 CD1 PHE A 61 -1.246 -0.505 4.472 1.00 1.33 C ATOM 1029 CD2 PHE A 61 -0.602 0.337 6.608 1.00 10.32 C ATOM 1030 CE1 PHE A 61 -1.621 0.766 4.085 1.00 43.42 C ATOM 1031 CE2 PHE A 61 -0.977 1.608 6.221 1.00 65.53 C ATOM 1032 CZ PHE A 61 -1.488 1.823 4.959 1.00 12.42 C ATOM 0 H PHE A 61 0.078 -4.212 7.430 1.00 1.04 H new ATOM 0 HA PHE A 61 -2.071 -2.429 7.367 1.00 32.42 H new ATOM 0 HB2 PHE A 61 0.426 -2.036 6.985 1.00 54.33 H new ATOM 0 HB3 PHE A 61 0.184 -2.632 5.355 1.00 54.33 H new ATOM 0 HD1 PHE A 61 -1.354 -1.327 3.780 1.00 1.33 H new ATOM 0 HD2 PHE A 61 -0.202 0.178 7.599 1.00 10.32 H new ATOM 0 HE1 PHE A 61 -2.019 0.932 3.095 1.00 43.42 H new ATOM 0 HE2 PHE A 61 -0.870 2.435 6.908 1.00 65.53 H new ATOM 0 HZ PHE A 61 -1.783 2.817 4.656 1.00 12.42 H new ATOM 1042 N ILE A 62 -1.835 -4.455 4.748 1.00 11.41 N ATOM 1043 CA ILE A 62 -2.552 -4.951 3.585 1.00 44.24 C ATOM 1044 C ILE A 62 -3.849 -5.546 4.000 1.00 1.14 C ATOM 1045 O ILE A 62 -4.899 -5.154 3.500 1.00 20.31 O ATOM 1046 CB ILE A 62 -1.773 -6.018 2.787 1.00 74.24 C ATOM 1047 CG1 ILE A 62 -0.383 -5.495 2.402 1.00 73.11 C ATOM 1048 CG2 ILE A 62 -2.575 -6.450 1.548 1.00 20.51 C ATOM 1049 CD1 ILE A 62 -0.399 -4.134 1.764 1.00 43.40 C ATOM 0 H ILE A 62 -0.960 -4.941 4.943 1.00 11.41 H new ATOM 0 HA ILE A 62 -2.696 -4.086 2.937 1.00 44.24 H new ATOM 0 HB ILE A 62 -1.632 -6.896 3.418 1.00 74.24 H new ATOM 0 HG12 ILE A 62 0.241 -5.459 3.295 1.00 73.11 H new ATOM 0 HG13 ILE A 62 0.083 -6.202 1.715 1.00 73.11 H new ATOM 0 HG21 ILE A 62 -2.013 -7.203 0.995 1.00 20.51 H new ATOM 0 HG22 ILE A 62 -3.531 -6.869 1.861 1.00 20.51 H new ATOM 0 HG23 ILE A 62 -2.750 -5.585 0.908 1.00 20.51 H new ATOM 0 HD11 ILE A 62 0.620 -3.834 1.521 1.00 43.40 H new ATOM 0 HD12 ILE A 62 -0.995 -4.167 0.852 1.00 43.40 H new ATOM 0 HD13 ILE A 62 -0.834 -3.413 2.456 1.00 43.40 H new ATOM 1061 N LYS A 63 -3.789 -6.480 4.929 1.00 64.42 N ATOM 1062 CA LYS A 63 -5.011 -7.130 5.407 1.00 70.41 C ATOM 1063 C LYS A 63 -5.949 -6.177 6.139 1.00 73.32 C ATOM 1064 O LYS A 63 -7.175 -6.346 6.113 1.00 52.25 O ATOM 1065 CB LYS A 63 -4.791 -8.465 6.168 1.00 62.23 C ATOM 1066 CG LYS A 63 -4.596 -9.699 5.248 1.00 32.50 C ATOM 1067 CD LYS A 63 -3.281 -9.710 4.469 1.00 35.55 C ATOM 1068 CE LYS A 63 -2.096 -10.077 5.354 1.00 32.15 C ATOM 1069 NZ LYS A 63 -2.209 -11.451 5.899 1.00 35.11 N ATOM 0 H LYS A 63 -2.928 -6.807 5.366 1.00 64.42 H new ATOM 0 HA LYS A 63 -5.524 -7.427 4.492 1.00 70.41 H new ATOM 0 HB2 LYS A 63 -3.916 -8.364 6.811 1.00 62.23 H new ATOM 0 HB3 LYS A 63 -5.646 -8.644 6.820 1.00 62.23 H new ATOM 0 HG2 LYS A 63 -4.650 -10.602 5.857 1.00 32.50 H new ATOM 0 HG3 LYS A 63 -5.423 -9.742 4.540 1.00 32.50 H new ATOM 0 HD2 LYS A 63 -3.353 -10.421 3.646 1.00 35.55 H new ATOM 0 HD3 LYS A 63 -3.113 -8.728 4.027 1.00 35.55 H new ATOM 0 HE2 LYS A 63 -1.174 -9.991 4.778 1.00 32.15 H new ATOM 0 HE3 LYS A 63 -2.025 -9.366 6.177 1.00 32.15 H new ATOM 0 HZ1 LYS A 63 -1.341 -11.982 5.683 1.00 35.11 H new ATOM 0 HZ2 LYS A 63 -2.340 -11.406 6.930 1.00 35.11 H new ATOM 0 HZ3 LYS A 63 -3.025 -11.930 5.467 1.00 35.11 H new ATOM 1083 N TRP A 64 -5.381 -5.184 6.762 1.00 71.10 N ATOM 1084 CA TRP A 64 -6.141 -4.199 7.495 1.00 41.21 C ATOM 1085 C TRP A 64 -6.860 -3.299 6.483 1.00 22.24 C ATOM 1086 O TRP A 64 -8.061 -3.054 6.609 1.00 15.50 O ATOM 1087 CB TRP A 64 -5.205 -3.364 8.372 1.00 4.45 C ATOM 1088 CG TRP A 64 -5.797 -2.883 9.654 1.00 2.30 C ATOM 1089 CD1 TRP A 64 -5.549 -3.403 10.895 1.00 11.45 C ATOM 1090 CD2 TRP A 64 -6.729 -1.811 9.842 1.00 24.13 C ATOM 1091 NE1 TRP A 64 -6.263 -2.712 11.838 1.00 1.43 N ATOM 1092 CE2 TRP A 64 -6.996 -1.733 11.221 1.00 1.53 C ATOM 1093 CE3 TRP A 64 -7.360 -0.907 8.986 1.00 2.14 C ATOM 1094 CZ2 TRP A 64 -7.866 -0.791 11.758 1.00 75.33 C ATOM 1095 CZ3 TRP A 64 -8.221 0.025 9.521 1.00 72.02 C ATOM 1096 CH2 TRP A 64 -8.466 0.076 10.894 1.00 15.15 C ATOM 0 H TRP A 64 -4.373 -5.030 6.779 1.00 71.10 H new ATOM 0 HA TRP A 64 -6.869 -4.689 8.142 1.00 41.21 H new ATOM 0 HB2 TRP A 64 -4.320 -3.958 8.599 1.00 4.45 H new ATOM 0 HB3 TRP A 64 -4.870 -2.500 7.798 1.00 4.45 H new ATOM 0 HD1 TRP A 64 -4.890 -4.233 11.100 1.00 11.45 H new ATOM 0 HE1 TRP A 64 -6.251 -2.897 12.841 1.00 1.43 H new ATOM 0 HE3 TRP A 64 -7.176 -0.938 7.922 1.00 2.14 H new ATOM 0 HZ2 TRP A 64 -8.059 -0.748 12.820 1.00 75.33 H new ATOM 0 HZ3 TRP A 64 -8.715 0.728 8.867 1.00 72.02 H new ATOM 0 HH2 TRP A 64 -9.147 0.820 11.281 1.00 15.15 H new ATOM 1107 N TYR A 65 -6.117 -2.828 5.439 1.00 33.41 N ATOM 1108 CA TYR A 65 -6.736 -2.006 4.397 1.00 1.44 C ATOM 1109 C TYR A 65 -7.763 -2.818 3.657 1.00 10.11 C ATOM 1110 O TYR A 65 -8.785 -2.315 3.254 1.00 70.11 O ATOM 1111 CB TYR A 65 -5.713 -1.420 3.392 1.00 73.41 C ATOM 1112 CG TYR A 65 -6.382 -0.515 2.349 1.00 63.54 C ATOM 1113 CD1 TYR A 65 -6.870 0.727 2.713 1.00 73.13 C ATOM 1114 CD2 TYR A 65 -6.545 -0.913 1.019 1.00 74.32 C ATOM 1115 CE1 TYR A 65 -7.504 1.551 1.800 1.00 70.32 C ATOM 1116 CE2 TYR A 65 -7.178 -0.080 0.092 1.00 23.00 C ATOM 1117 CZ TYR A 65 -7.655 1.148 0.502 1.00 62.01 C ATOM 1118 OH TYR A 65 -8.291 1.976 -0.398 1.00 23.45 O ATOM 0 H TYR A 65 -5.121 -3.005 5.312 1.00 33.41 H new ATOM 0 HA TYR A 65 -7.204 -1.160 4.899 1.00 1.44 H new ATOM 0 HB2 TYR A 65 -4.958 -0.851 3.934 1.00 73.41 H new ATOM 0 HB3 TYR A 65 -5.195 -2.235 2.886 1.00 73.41 H new ATOM 0 HD1 TYR A 65 -6.753 1.061 3.733 1.00 73.13 H new ATOM 0 HD2 TYR A 65 -6.177 -1.878 0.703 1.00 74.32 H new ATOM 0 HE1 TYR A 65 -7.880 2.514 2.113 1.00 70.32 H new ATOM 0 HE2 TYR A 65 -7.293 -0.394 -0.935 1.00 23.00 H new ATOM 0 HH TYR A 65 -8.080 2.910 -0.189 1.00 23.45 H new ATOM 1128 N ASN A 66 -7.459 -4.079 3.495 1.00 62.35 N ATOM 1129 CA ASN A 66 -8.293 -5.048 2.790 1.00 72.51 C ATOM 1130 C ASN A 66 -9.690 -5.056 3.407 1.00 72.11 C ATOM 1131 O ASN A 66 -10.695 -5.017 2.692 1.00 33.45 O ATOM 1132 CB ASN A 66 -7.646 -6.418 2.958 1.00 23.44 C ATOM 1133 CG ASN A 66 -8.001 -7.424 1.909 1.00 24.52 C ATOM 1134 OD1 ASN A 66 -9.000 -8.137 2.005 1.00 24.13 O ATOM 1135 ND2 ASN A 66 -7.138 -7.522 0.917 1.00 44.42 N ATOM 0 H ASN A 66 -6.597 -4.485 3.859 1.00 62.35 H new ATOM 0 HA ASN A 66 -8.379 -4.793 1.734 1.00 72.51 H new ATOM 0 HB2 ASN A 66 -6.563 -6.292 2.966 1.00 23.44 H new ATOM 0 HB3 ASN A 66 -7.928 -6.818 3.932 1.00 23.44 H new ATOM 0 HD21 ASN A 66 -7.283 -8.214 0.182 1.00 44.42 H new ATOM 0 HD22 ASN A 66 -6.326 -6.906 0.885 1.00 44.42 H new ATOM 1142 N ALA A 67 -9.732 -5.075 4.735 1.00 33.11 N ATOM 1143 CA ALA A 67 -10.978 -5.055 5.477 1.00 30.20 C ATOM 1144 C ALA A 67 -11.587 -3.655 5.455 1.00 21.54 C ATOM 1145 O ALA A 67 -12.750 -3.484 5.130 1.00 72.01 O ATOM 1146 CB ALA A 67 -10.738 -5.505 6.906 1.00 12.23 C ATOM 0 H ALA A 67 -8.900 -5.105 5.324 1.00 33.11 H new ATOM 0 HA ALA A 67 -11.680 -5.743 5.005 1.00 30.20 H new ATOM 0 HB1 ALA A 67 -11.679 -5.487 7.456 1.00 12.23 H new ATOM 0 HB2 ALA A 67 -10.337 -6.519 6.906 1.00 12.23 H new ATOM 0 HB3 ALA A 67 -10.025 -4.833 7.384 1.00 12.23 H new ATOM 1152 N TRP A 68 -10.762 -2.664 5.760 1.00 54.40 N ATOM 1153 CA TRP A 68 -11.144 -1.236 5.788 1.00 73.14 C ATOM 1154 C TRP A 68 -11.761 -0.785 4.460 1.00 55.12 C ATOM 1155 O TRP A 68 -12.726 -0.024 4.445 1.00 74.30 O ATOM 1156 CB TRP A 68 -9.877 -0.419 6.171 1.00 13.13 C ATOM 1157 CG TRP A 68 -9.814 1.039 5.769 1.00 51.42 C ATOM 1158 CD1 TRP A 68 -9.419 1.502 4.558 1.00 23.13 C ATOM 1159 CD2 TRP A 68 -10.087 2.209 6.565 1.00 25.34 C ATOM 1160 NE1 TRP A 68 -9.430 2.861 4.533 1.00 35.43 N ATOM 1161 CE2 TRP A 68 -9.837 3.327 5.740 1.00 21.43 C ATOM 1162 CE3 TRP A 68 -10.518 2.433 7.874 1.00 25.31 C ATOM 1163 CZ2 TRP A 68 -9.997 4.629 6.166 1.00 63.21 C ATOM 1164 CZ3 TRP A 68 -10.674 3.748 8.299 1.00 70.24 C ATOM 1165 CH2 TRP A 68 -10.412 4.826 7.436 1.00 42.34 C ATOM 0 H TRP A 68 -9.784 -2.821 6.002 1.00 54.40 H new ATOM 0 HA TRP A 68 -11.923 -1.066 6.531 1.00 73.14 H new ATOM 0 HB2 TRP A 68 -9.763 -0.470 7.254 1.00 13.13 H new ATOM 0 HB3 TRP A 68 -9.013 -0.921 5.735 1.00 13.13 H new ATOM 0 HD1 TRP A 68 -9.134 0.876 3.725 1.00 23.13 H new ATOM 0 HE1 TRP A 68 -9.173 3.439 3.733 1.00 35.43 H new ATOM 0 HE3 TRP A 68 -10.725 1.607 8.539 1.00 25.31 H new ATOM 0 HZ2 TRP A 68 -9.798 5.461 5.507 1.00 63.21 H new ATOM 0 HZ3 TRP A 68 -11.002 3.944 9.309 1.00 70.24 H new ATOM 0 HH2 TRP A 68 -10.546 5.835 7.797 1.00 42.34 H new ATOM 1176 N ASN A 69 -11.224 -1.283 3.373 1.00 23.24 N ATOM 1177 CA ASN A 69 -11.728 -0.986 2.039 1.00 35.40 C ATOM 1178 C ASN A 69 -13.155 -1.509 1.888 1.00 61.41 C ATOM 1179 O ASN A 69 -14.007 -0.846 1.306 1.00 31.50 O ATOM 1180 CB ASN A 69 -10.802 -1.606 0.980 1.00 14.02 C ATOM 1181 CG ASN A 69 -11.238 -1.349 -0.455 1.00 51.42 C ATOM 1182 OD1 ASN A 69 -11.861 -0.329 -0.771 1.00 24.25 O ATOM 1183 ND2 ASN A 69 -10.898 -2.265 -1.331 1.00 42.22 N ATOM 0 H ASN A 69 -10.420 -1.910 3.381 1.00 23.24 H new ATOM 0 HA ASN A 69 -11.744 0.094 1.893 1.00 35.40 H new ATOM 0 HB2 ASN A 69 -9.795 -1.212 1.118 1.00 14.02 H new ATOM 0 HB3 ASN A 69 -10.749 -2.682 1.145 1.00 14.02 H new ATOM 0 HD21 ASN A 69 -11.148 -2.149 -2.313 1.00 42.22 H new ATOM 0 HD22 ASN A 69 -10.384 -3.093 -1.030 1.00 42.22 H new ATOM 1190 N GLU A 70 -13.419 -2.683 2.453 1.00 32.22 N ATOM 1191 CA GLU A 70 -14.758 -3.280 2.406 1.00 33.30 C ATOM 1192 C GLU A 70 -15.775 -2.426 3.158 1.00 44.34 C ATOM 1193 O GLU A 70 -16.885 -2.224 2.674 1.00 13.44 O ATOM 1194 CB GLU A 70 -14.756 -4.705 2.942 1.00 13.21 C ATOM 1195 CG GLU A 70 -13.862 -5.650 2.171 1.00 54.42 C ATOM 1196 CD GLU A 70 -13.930 -7.052 2.697 1.00 10.35 C ATOM 1197 OE1 GLU A 70 -13.165 -7.399 3.604 1.00 14.32 O ATOM 1198 OE2 GLU A 70 -14.769 -7.838 2.214 1.00 73.14 O ATOM 0 H GLU A 70 -12.726 -3.243 2.950 1.00 32.22 H new ATOM 0 HA GLU A 70 -15.054 -3.317 1.358 1.00 33.30 H new ATOM 0 HB2 GLU A 70 -14.438 -4.690 3.985 1.00 13.21 H new ATOM 0 HB3 GLU A 70 -15.775 -5.090 2.925 1.00 13.21 H new ATOM 0 HG2 GLU A 70 -14.151 -5.644 1.120 1.00 54.42 H new ATOM 0 HG3 GLU A 70 -12.833 -5.295 2.221 1.00 54.42 H new ATOM 1205 N LYS A 71 -15.383 -1.891 4.324 1.00 45.44 N ATOM 1206 CA LYS A 71 -16.278 -1.016 5.111 1.00 25.24 C ATOM 1207 C LYS A 71 -16.643 0.229 4.331 1.00 51.05 C ATOM 1208 O LYS A 71 -17.728 0.771 4.474 1.00 0.34 O ATOM 1209 CB LYS A 71 -15.660 -0.598 6.463 1.00 62.04 C ATOM 1210 CG LYS A 71 -15.620 -1.661 7.559 1.00 44.52 C ATOM 1211 CD LYS A 71 -14.767 -2.855 7.206 1.00 23.41 C ATOM 1212 CE LYS A 71 -14.701 -3.857 8.342 1.00 40.12 C ATOM 1213 NZ LYS A 71 -14.147 -3.250 9.572 1.00 43.04 N ATOM 0 H LYS A 71 -14.465 -2.043 4.742 1.00 45.44 H new ATOM 0 HA LYS A 71 -17.174 -1.603 5.313 1.00 25.24 H new ATOM 0 HB2 LYS A 71 -14.640 -0.260 6.280 1.00 62.04 H new ATOM 0 HB3 LYS A 71 -16.217 0.259 6.841 1.00 62.04 H new ATOM 0 HG2 LYS A 71 -15.241 -1.212 8.477 1.00 44.52 H new ATOM 0 HG3 LYS A 71 -16.636 -1.998 7.765 1.00 44.52 H new ATOM 0 HD2 LYS A 71 -15.171 -3.340 6.317 1.00 23.41 H new ATOM 0 HD3 LYS A 71 -13.760 -2.521 6.957 1.00 23.41 H new ATOM 0 HE2 LYS A 71 -15.699 -4.244 8.545 1.00 40.12 H new ATOM 0 HE3 LYS A 71 -14.084 -4.705 8.044 1.00 40.12 H new ATOM 0 HZ1 LYS A 71 -13.832 -4.001 10.219 1.00 43.04 H new ATOM 0 HZ2 LYS A 71 -13.339 -2.644 9.326 1.00 43.04 H new ATOM 0 HZ3 LYS A 71 -14.880 -2.678 10.037 1.00 43.04 H new ATOM 1227 N ARG A 72 -15.734 0.659 3.504 1.00 2.24 N ATOM 1228 CA ARG A 72 -15.924 1.856 2.715 1.00 73.04 C ATOM 1229 C ARG A 72 -16.717 1.557 1.444 1.00 24.11 C ATOM 1230 O ARG A 72 -17.329 2.452 0.868 1.00 70.34 O ATOM 1231 CB ARG A 72 -14.582 2.472 2.392 1.00 14.04 C ATOM 1232 CG ARG A 72 -13.763 2.745 3.632 1.00 0.34 C ATOM 1233 CD ARG A 72 -12.387 3.238 3.293 1.00 21.51 C ATOM 1234 NE ARG A 72 -12.373 4.590 2.749 1.00 0.22 N ATOM 1235 CZ ARG A 72 -11.458 5.057 1.908 1.00 64.50 C ATOM 1236 NH1 ARG A 72 -10.590 4.227 1.320 1.00 51.01 N ATOM 1237 NH2 ARG A 72 -11.435 6.346 1.622 1.00 42.24 N ATOM 0 H ARG A 72 -14.838 0.195 3.353 1.00 2.24 H new ATOM 0 HA ARG A 72 -16.505 2.572 3.296 1.00 73.04 H new ATOM 0 HB2 ARG A 72 -14.027 1.804 1.733 1.00 14.04 H new ATOM 0 HB3 ARG A 72 -14.734 3.404 1.847 1.00 14.04 H new ATOM 0 HG2 ARG A 72 -14.273 3.485 4.249 1.00 0.34 H new ATOM 0 HG3 ARG A 72 -13.687 1.834 4.225 1.00 0.34 H new ATOM 0 HD2 ARG A 72 -11.768 3.209 4.190 1.00 21.51 H new ATOM 0 HD3 ARG A 72 -11.934 2.559 2.571 1.00 21.51 H new ATOM 0 HE ARG A 72 -13.120 5.223 3.035 1.00 0.22 H new ATOM 0 HH11 ARG A 72 -10.628 3.227 1.516 1.00 51.01 H new ATOM 0 HH12 ARG A 72 -9.890 4.594 0.675 1.00 51.01 H new ATOM 0 HH21 ARG A 72 -12.117 6.975 2.046 1.00 42.24 H new ATOM 0 HH22 ARG A 72 -10.735 6.713 0.977 1.00 42.24 H new ATOM 1251 N ARG A 73 -16.699 0.296 1.011 1.00 14.32 N ATOM 1252 CA ARG A 73 -17.492 -0.112 -0.139 1.00 65.24 C ATOM 1253 C ARG A 73 -18.936 -0.261 0.257 1.00 74.44 C ATOM 1254 O ARG A 73 -19.845 0.025 -0.524 1.00 43.53 O ATOM 1255 CB ARG A 73 -16.962 -1.386 -0.790 1.00 24.21 C ATOM 1256 CG ARG A 73 -15.624 -1.201 -1.472 1.00 12.33 C ATOM 1257 CD ARG A 73 -15.157 -2.476 -2.137 1.00 5.25 C ATOM 1258 NE ARG A 73 -13.916 -2.262 -2.880 1.00 20.43 N ATOM 1259 CZ ARG A 73 -13.248 -3.197 -3.564 1.00 55.54 C ATOM 1260 NH1 ARG A 73 -13.679 -4.459 -3.581 1.00 24.23 N ATOM 1261 NH2 ARG A 73 -12.154 -2.864 -4.233 1.00 63.12 N ATOM 0 H ARG A 73 -16.149 -0.450 1.437 1.00 14.32 H new ATOM 0 HA ARG A 73 -17.411 0.673 -0.891 1.00 65.24 H new ATOM 0 HB2 ARG A 73 -16.870 -2.162 -0.030 1.00 24.21 H new ATOM 0 HB3 ARG A 73 -17.688 -1.741 -1.521 1.00 24.21 H new ATOM 0 HG2 ARG A 73 -15.701 -0.409 -2.217 1.00 12.33 H new ATOM 0 HG3 ARG A 73 -14.883 -0.879 -0.740 1.00 12.33 H new ATOM 0 HD2 ARG A 73 -15.004 -3.247 -1.382 1.00 5.25 H new ATOM 0 HD3 ARG A 73 -15.930 -2.841 -2.813 1.00 5.25 H new ATOM 0 HE ARG A 73 -13.527 -1.319 -2.876 1.00 20.43 H new ATOM 0 HH11 ARG A 73 -14.523 -4.716 -3.070 1.00 24.23 H new ATOM 0 HH12 ARG A 73 -13.164 -5.167 -4.105 1.00 24.23 H new ATOM 0 HH21 ARG A 73 -11.825 -1.899 -4.225 1.00 63.12 H new ATOM 0 HH22 ARG A 73 -11.641 -3.573 -4.756 1.00 63.12 H new ATOM 1275 N VAL A 74 -19.150 -0.717 1.456 1.00 30.11 N ATOM 1276 CA VAL A 74 -20.474 -0.753 2.018 1.00 41.02 C ATOM 1277 C VAL A 74 -20.673 0.518 2.835 1.00 1.13 C ATOM 1278 O VAL A 74 -19.900 1.473 2.695 1.00 33.32 O ATOM 1279 CB VAL A 74 -20.702 -2.013 2.899 1.00 22.24 C ATOM 1280 CG1 VAL A 74 -20.586 -3.273 2.066 1.00 24.52 C ATOM 1281 CG2 VAL A 74 -19.739 -2.061 4.079 1.00 41.51 C ATOM 0 H VAL A 74 -18.419 -1.073 2.071 1.00 30.11 H new ATOM 0 HA VAL A 74 -21.203 -0.808 1.210 1.00 41.02 H new ATOM 0 HB VAL A 74 -21.712 -1.951 3.303 1.00 22.24 H new ATOM 0 HG11 VAL A 74 -20.749 -4.145 2.700 1.00 24.52 H new ATOM 0 HG12 VAL A 74 -21.335 -3.256 1.274 1.00 24.52 H new ATOM 0 HG13 VAL A 74 -19.591 -3.327 1.624 1.00 24.52 H new ATOM 0 HG21 VAL A 74 -19.931 -2.957 4.670 1.00 41.51 H new ATOM 0 HG22 VAL A 74 -18.713 -2.083 3.711 1.00 41.51 H new ATOM 0 HG23 VAL A 74 -19.882 -1.178 4.702 1.00 41.51 H new ATOM 1291 N TYR A 75 -21.697 0.579 3.631 1.00 31.21 N ATOM 1292 CA TYR A 75 -21.887 1.735 4.466 1.00 11.12 C ATOM 1293 C TYR A 75 -21.456 1.440 5.884 1.00 35.25 C ATOM 1294 O TYR A 75 -21.521 0.288 6.333 1.00 75.32 O ATOM 1295 CB TYR A 75 -23.321 2.243 4.396 1.00 52.40 C ATOM 1296 CG TYR A 75 -23.695 2.668 3.001 1.00 34.45 C ATOM 1297 CD1 TYR A 75 -23.088 3.767 2.419 1.00 13.30 C ATOM 1298 CD2 TYR A 75 -24.639 1.974 2.262 1.00 73.10 C ATOM 1299 CE1 TYR A 75 -23.405 4.165 1.146 1.00 14.25 C ATOM 1300 CE2 TYR A 75 -24.966 2.368 0.984 1.00 13.21 C ATOM 1301 CZ TYR A 75 -24.343 3.466 0.429 1.00 11.31 C ATOM 1302 OH TYR A 75 -24.665 3.868 -0.849 1.00 22.32 O ATOM 0 H TYR A 75 -22.408 -0.146 3.723 1.00 31.21 H new ATOM 0 HA TYR A 75 -21.254 2.538 4.089 1.00 11.12 H new ATOM 0 HB2 TYR A 75 -24.001 1.460 4.732 1.00 52.40 H new ATOM 0 HB3 TYR A 75 -23.442 3.085 5.078 1.00 52.40 H new ATOM 0 HD1 TYR A 75 -22.350 4.322 2.979 1.00 13.30 H new ATOM 0 HD2 TYR A 75 -25.125 1.112 2.694 1.00 73.10 H new ATOM 0 HE1 TYR A 75 -22.919 5.025 0.710 1.00 14.25 H new ATOM 0 HE2 TYR A 75 -25.706 1.820 0.419 1.00 13.21 H new ATOM 0 HH TYR A 75 -25.345 3.267 -1.220 1.00 22.32 H new ATOM 1312 N GLU A 76 -20.990 2.445 6.572 1.00 63.42 N ATOM 1313 CA GLU A 76 -20.519 2.277 7.922 1.00 34.12 C ATOM 1314 C GLU A 76 -21.524 2.791 8.919 1.00 31.32 C ATOM 1315 O GLU A 76 -22.513 3.453 8.555 1.00 42.12 O ATOM 1316 CB GLU A 76 -19.177 2.965 8.148 1.00 42.22 C ATOM 1317 CG GLU A 76 -18.053 2.456 7.280 1.00 41.11 C ATOM 1318 CD GLU A 76 -16.736 3.053 7.674 1.00 14.22 C ATOM 1319 OE1 GLU A 76 -16.064 2.478 8.557 1.00 14.05 O ATOM 1320 OE2 GLU A 76 -16.353 4.120 7.135 1.00 0.13 O ATOM 0 H GLU A 76 -20.925 3.399 6.217 1.00 63.42 H new ATOM 0 HA GLU A 76 -20.384 1.206 8.072 1.00 34.12 H new ATOM 0 HB2 GLU A 76 -19.298 4.034 7.972 1.00 42.22 H new ATOM 0 HB3 GLU A 76 -18.894 2.844 9.194 1.00 42.22 H new ATOM 0 HG2 GLU A 76 -17.998 1.370 7.356 1.00 41.11 H new ATOM 0 HG3 GLU A 76 -18.263 2.693 6.237 1.00 41.11 H new ATOM 1327 N GLU A 77 -21.281 2.483 10.158 1.00 55.22 N ATOM 1328 CA GLU A 77 -22.109 2.896 11.245 1.00 73.04 C ATOM 1329 C GLU A 77 -21.242 3.650 12.222 1.00 23.02 C ATOM 1330 O GLU A 77 -20.603 3.009 13.076 1.00 36.57 O ATOM 1331 CB GLU A 77 -22.716 1.679 11.931 1.00 54.15 C ATOM 1332 CG GLU A 77 -23.541 0.805 11.022 1.00 1.55 C ATOM 1333 CD GLU A 77 -24.044 -0.413 11.723 1.00 33.32 C ATOM 1334 OE1 GLU A 77 -23.301 -1.409 11.795 1.00 63.43 O ATOM 1335 OE2 GLU A 77 -25.192 -0.399 12.208 1.00 32.02 O ATOM 1336 OXT GLU A 77 -21.159 4.882 12.123 1.00 36.57 O ATOM 0 H GLU A 77 -20.479 1.922 10.445 1.00 55.22 H new ATOM 0 HA GLU A 77 -22.921 3.527 10.884 1.00 73.04 H new ATOM 0 HB2 GLU A 77 -21.913 1.081 12.362 1.00 54.15 H new ATOM 0 HB3 GLU A 77 -23.341 2.016 12.758 1.00 54.15 H new ATOM 0 HG2 GLU A 77 -24.386 1.377 10.638 1.00 1.55 H new ATOM 0 HG3 GLU A 77 -22.940 0.507 10.163 1.00 1.55 H new TER 1343 GLU A 77