USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1000 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 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 86 SER OG : rot -113:sc= 1.29 USER MOD Set 2.1: A 28 THR OG1 : rot -20:sc= 0.576 USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 37 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 41 HIS : no HD1:sc= -0.0414 X(o=-0.041,f=0.29) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -162:sc= -0.0244 (180deg=-0.363) USER MOD Single : A 1 ASN :FLIP amide:sc= -3.89! C(o=-7.9!,f=-3.9!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0123 USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.00353 USER MOD Single : A 24 LYS NZ :NH3+ 137:sc=-0.00521 (180deg=-0.508) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0942 USER MOD Single : A 27 THR OG1 : rot -130:sc= -0.122 USER MOD Single : A 30 LYS NZ :NH3+ 138:sc= 0.59 (180deg=-0.00831) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -100:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 66:sc= 0.107 USER MOD Single : A 44 GLN : amide:sc= -0.157 X(o=-0.16,f=0.13) USER MOD Single : A 45 THR OG1 : rot 8:sc= 0.199 USER MOD Single : A 49 ASN :FLIP amide:sc= -10.8! C(o=-13!,f=-11!) USER MOD Single : A 50 SER OG : rot -60:sc= 0.227 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2! C(o=-2!,f=-3.5!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0.183 USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= -2.83! (180deg=-3.12!) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.66 F(o=-2.3!,f=-1.7) USER MOD Single : A 73 ASN :FLIP amide:sc=-0.00751 F(o=-1.2,f=-0.0075) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -132:sc= -0.979 (180deg=-5.08!) USER MOD Single : A 83 SER OG : rot 29:sc= 0.176 USER MOD Single : A 87 GLN : amide:sc= -8.96! C(o=-9!,f=-15!) USER MOD Single : A 91 SER OG : rot -164:sc= -3.69! USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -127:sc= -1.77! USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 116 SER OG : rot 101:sc= 0.649 USER MOD Single : A 117 HIS :FLIP no HE2:sc= -0.959 F(o=-2.2!,f=-0.96) USER MOD Single : A 121 GLN :FLIP amide:sc= -1.56 F(o=-4.8!,f=-1.6) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 128 HIS : no HD1:sc= -0.393 X(o=-0.39,f=0.052) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.0752 X(o=-0.075,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -0.0592 X(o=-0.059,f=-0.041) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 33.997 -3.249 -3.345 1.00 0.00 N ATOM 2 CA MET A 0 33.683 -3.047 -1.907 1.00 0.00 C ATOM 3 C MET A 0 32.364 -2.299 -1.738 1.00 0.00 C ATOM 4 O MET A 0 31.405 -2.832 -1.178 1.00 0.00 O ATOM 5 CB MET A 0 34.813 -2.274 -1.226 1.00 0.00 C ATOM 6 CG MET A 0 36.143 -3.011 -1.239 1.00 0.00 C ATOM 7 SD MET A 0 37.491 -2.033 -0.551 1.00 0.00 S ATOM 8 CE MET A 0 38.864 -3.169 -0.740 1.00 0.00 C ATOM 0 H1 MET A 0 34.709 -4.001 -3.443 1.00 0.00 H new ATOM 0 H2 MET A 0 33.132 -3.523 -3.854 1.00 0.00 H new ATOM 0 H3 MET A 0 34.370 -2.365 -3.746 1.00 0.00 H new ATOM 0 HA MET A 0 33.585 -4.026 -1.438 1.00 0.00 H new ATOM 0 HB2 MET A 0 34.935 -1.311 -1.722 1.00 0.00 H new ATOM 0 HB3 MET A 0 34.531 -2.067 -0.194 1.00 0.00 H new ATOM 0 HG2 MET A 0 36.046 -3.937 -0.672 1.00 0.00 H new ATOM 0 HG3 MET A 0 36.389 -3.290 -2.264 1.00 0.00 H new ATOM 0 HE1 MET A 0 39.774 -2.707 -0.358 1.00 0.00 H new ATOM 0 HE2 MET A 0 38.660 -4.083 -0.182 1.00 0.00 H new ATOM 0 HE3 MET A 0 38.995 -3.410 -1.795 1.00 0.00 H new ATOM 20 N ASN A 1 32.322 -1.063 -2.223 1.00 0.00 N ATOM 21 CA ASN A 1 31.117 -0.243 -2.128 1.00 0.00 C ATOM 22 C ASN A 1 30.094 -0.643 -3.175 1.00 0.00 C ATOM 23 O ASN A 1 30.370 -1.461 -4.054 1.00 0.00 O ATOM 24 CB ASN A 1 31.462 1.237 -2.280 1.00 0.00 C ATOM 25 CG ASN A 1 31.828 1.877 -0.957 1.00 0.00 C ATOM 26 OD1 ASN A 1 31.233 1.376 0.119 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 32.630 2.809 -0.902 1.00 0.00 N flip ATOM 0 H ASN A 1 33.108 -0.606 -2.686 1.00 0.00 H new ATOM 0 HA ASN A 1 30.682 -0.409 -1.142 1.00 0.00 H new ATOM 0 HB2 ASN A 1 32.294 1.345 -2.976 1.00 0.00 H new ATOM 0 HB3 ASN A 1 30.612 1.764 -2.714 1.00 0.00 H new ATOM 0 HD21 ASN A 1 33.062 3.161 -1.756 1.00 0.00 H new ATOM 0 HD22 ASN A 1 32.862 3.230 -0.002 1.00 0.00 H new ATOM 34 N CYS A 2 28.908 -0.059 -3.073 1.00 0.00 N ATOM 35 CA CYS A 2 27.833 -0.352 -4.005 1.00 0.00 C ATOM 36 C CYS A 2 27.613 0.809 -4.967 1.00 0.00 C ATOM 37 O CYS A 2 28.130 1.906 -4.756 1.00 0.00 O ATOM 38 CB CYS A 2 26.542 -0.639 -3.244 1.00 0.00 C ATOM 39 SG CYS A 2 26.719 -1.873 -1.920 1.00 0.00 S ATOM 0 H CYS A 2 28.668 0.621 -2.352 1.00 0.00 H new ATOM 0 HA CYS A 2 28.117 -1.232 -4.582 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.173 0.291 -2.812 1.00 0.00 H new ATOM 0 HB3 CYS A 2 25.786 -0.985 -3.949 1.00 0.00 H new ATOM 44 N GLY A 3 26.847 0.564 -6.021 1.00 0.00 N ATOM 45 CA GLY A 3 26.534 1.624 -6.957 1.00 0.00 C ATOM 46 C GLY A 3 25.379 2.464 -6.443 1.00 0.00 C ATOM 47 O GLY A 3 24.602 1.984 -5.620 1.00 0.00 O ATOM 0 H GLY A 3 26.439 -0.344 -6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 3 27.410 2.254 -7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.277 1.197 -7.926 1.00 0.00 H new ATOM 51 N PRO A 4 25.237 3.721 -6.897 1.00 0.00 N ATOM 52 CA PRO A 4 24.151 4.599 -6.450 1.00 0.00 C ATOM 53 C PRO A 4 22.826 3.851 -6.295 1.00 0.00 C ATOM 54 O PRO A 4 22.347 3.222 -7.238 1.00 0.00 O ATOM 55 CB PRO A 4 24.085 5.631 -7.571 1.00 0.00 C ATOM 56 CG PRO A 4 25.506 5.770 -8.003 1.00 0.00 C ATOM 57 CD PRO A 4 26.111 4.391 -7.882 1.00 0.00 C ATOM 0 HA PRO A 4 24.328 5.031 -5.465 1.00 0.00 H new ATOM 0 HB2 PRO A 4 23.448 5.294 -8.389 1.00 0.00 H new ATOM 0 HB3 PRO A 4 23.678 6.579 -7.220 1.00 0.00 H new ATOM 0 HG2 PRO A 4 25.569 6.136 -9.028 1.00 0.00 H new ATOM 0 HG3 PRO A 4 26.037 6.486 -7.376 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.114 3.868 -8.838 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.145 4.434 -7.539 1.00 0.00 H new ATOM 65 N PRO A 5 22.224 3.912 -5.088 1.00 0.00 N ATOM 66 CA PRO A 5 20.964 3.227 -4.781 1.00 0.00 C ATOM 67 C PRO A 5 19.954 3.258 -5.925 1.00 0.00 C ATOM 68 O PRO A 5 19.850 4.245 -6.652 1.00 0.00 O ATOM 69 CB PRO A 5 20.441 4.013 -3.583 1.00 0.00 C ATOM 70 CG PRO A 5 21.672 4.441 -2.863 1.00 0.00 C ATOM 71 CD PRO A 5 22.726 4.665 -3.919 1.00 0.00 C ATOM 0 HA PRO A 5 21.118 2.164 -4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 5 19.845 4.870 -3.898 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.803 3.397 -2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 5 21.492 5.353 -2.294 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.991 3.679 -2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 5 22.844 5.724 -4.147 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.700 4.298 -3.596 1.00 0.00 H new ATOM 79 N PRO A 6 19.195 2.159 -6.090 1.00 0.00 N ATOM 80 CA PRO A 6 18.180 2.030 -7.133 1.00 0.00 C ATOM 81 C PRO A 6 16.870 2.694 -6.732 1.00 0.00 C ATOM 82 O PRO A 6 16.723 3.243 -5.641 1.00 0.00 O ATOM 83 CB PRO A 6 17.974 0.509 -7.257 1.00 0.00 C ATOM 84 CG PRO A 6 18.873 -0.128 -6.241 1.00 0.00 C ATOM 85 CD PRO A 6 19.264 0.947 -5.271 1.00 0.00 C ATOM 0 HA PRO A 6 18.490 2.510 -8.061 1.00 0.00 H new ATOM 0 HB2 PRO A 6 16.933 0.243 -7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 6 18.220 0.165 -8.262 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.361 -0.943 -5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 6 19.754 -0.556 -6.719 1.00 0.00 H new ATOM 0 HD2 PRO A 6 18.583 0.993 -4.421 1.00 0.00 H new ATOM 0 HD3 PRO A 6 20.264 0.786 -4.869 1.00 0.00 H new ATOM 93 N THR A 7 15.924 2.617 -7.665 1.00 0.00 N ATOM 94 CA THR A 7 14.592 3.175 -7.482 1.00 0.00 C ATOM 95 C THR A 7 13.637 2.064 -7.067 1.00 0.00 C ATOM 96 O THR A 7 13.613 1.003 -7.690 1.00 0.00 O ATOM 97 CB THR A 7 14.073 3.842 -8.769 1.00 0.00 C ATOM 98 OG1 THR A 7 14.998 4.844 -9.208 1.00 0.00 O ATOM 99 CG2 THR A 7 12.707 4.472 -8.541 1.00 0.00 C ATOM 0 H THR A 7 16.062 2.165 -8.569 1.00 0.00 H new ATOM 0 HA THR A 7 14.647 3.939 -6.707 1.00 0.00 H new ATOM 0 HB THR A 7 13.977 3.074 -9.536 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.662 5.263 -10.028 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.362 4.937 -9.465 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.998 3.703 -8.235 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.781 5.229 -7.760 1.00 0.00 H new ATOM 107 N LEU A 8 12.853 2.296 -6.024 1.00 0.00 N ATOM 108 CA LEU A 8 11.917 1.283 -5.560 1.00 0.00 C ATOM 109 C LEU A 8 10.470 1.756 -5.655 1.00 0.00 C ATOM 110 O LEU A 8 10.174 2.801 -6.235 1.00 0.00 O ATOM 111 CB LEU A 8 12.246 0.890 -4.118 1.00 0.00 C ATOM 112 CG LEU A 8 13.688 0.427 -3.889 1.00 0.00 C ATOM 113 CD1 LEU A 8 13.893 0.012 -2.441 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.038 -0.717 -4.828 1.00 0.00 C ATOM 0 H LEU A 8 12.845 3.165 -5.489 1.00 0.00 H new ATOM 0 HA LEU A 8 12.022 0.415 -6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.046 1.743 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.570 0.092 -3.811 1.00 0.00 H new ATOM 0 HG LEU A 8 14.354 1.263 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.923 -0.314 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.686 0.859 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.217 -0.807 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.066 -1.032 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.365 -1.555 -4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.934 -0.385 -5.861 1.00 0.00 H new ATOM 126 N SER A 9 9.580 0.964 -5.071 1.00 0.00 N ATOM 127 CA SER A 9 8.158 1.280 -5.070 1.00 0.00 C ATOM 128 C SER A 9 7.613 1.271 -3.651 1.00 0.00 C ATOM 129 O SER A 9 7.097 2.278 -3.168 1.00 0.00 O ATOM 130 CB SER A 9 7.388 0.281 -5.935 1.00 0.00 C ATOM 131 OG SER A 9 7.842 0.311 -7.276 1.00 0.00 O ATOM 0 H SER A 9 9.819 0.096 -4.591 1.00 0.00 H new ATOM 0 HA SER A 9 8.028 2.278 -5.488 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.508 -0.724 -5.530 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.323 0.513 -5.903 1.00 0.00 H new ATOM 0 HG SER A 9 7.335 -0.338 -7.808 1.00 0.00 H new ATOM 137 N PHE A 10 7.732 0.129 -2.985 1.00 0.00 N ATOM 138 CA PHE A 10 7.260 -0.001 -1.615 1.00 0.00 C ATOM 139 C PHE A 10 7.920 1.039 -0.720 1.00 0.00 C ATOM 140 O PHE A 10 7.443 1.312 0.378 1.00 0.00 O ATOM 141 CB PHE A 10 7.536 -1.406 -1.077 1.00 0.00 C ATOM 142 CG PHE A 10 8.842 -1.987 -1.541 1.00 0.00 C ATOM 143 CD1 PHE A 10 10.034 -1.607 -0.947 1.00 0.00 C ATOM 144 CD2 PHE A 10 8.876 -2.915 -2.571 1.00 0.00 C ATOM 145 CE1 PHE A 10 11.237 -2.140 -1.372 1.00 0.00 C ATOM 146 CE2 PHE A 10 10.075 -3.452 -2.999 1.00 0.00 C ATOM 147 CZ PHE A 10 11.258 -3.063 -2.399 1.00 0.00 C ATOM 0 H PHE A 10 8.150 -0.717 -3.371 1.00 0.00 H new ATOM 0 HA PHE A 10 6.183 0.167 -1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.529 -1.376 0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.726 -2.068 -1.383 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.024 -0.886 -0.143 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.955 -3.221 -3.044 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.160 -1.835 -0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.088 -4.175 -3.801 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.197 -3.480 -2.733 1.00 0.00 H new ATOM 157 N ALA A 11 9.018 1.619 -1.200 1.00 0.00 N ATOM 158 CA ALA A 11 9.727 2.636 -0.433 1.00 0.00 C ATOM 159 C ALA A 11 10.491 3.605 -1.331 1.00 0.00 C ATOM 160 O ALA A 11 10.859 3.292 -2.465 1.00 0.00 O ATOM 161 CB ALA A 11 10.681 1.974 0.548 1.00 0.00 C ATOM 0 H ALA A 11 9.431 1.404 -2.107 1.00 0.00 H new ATOM 0 HA ALA A 11 8.981 3.215 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.207 2.740 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.117 1.338 1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.404 1.369 0.001 1.00 0.00 H new ATOM 167 N ALA A 12 10.712 4.792 -0.776 1.00 0.00 N ATOM 168 CA ALA A 12 11.474 5.829 -1.461 1.00 0.00 C ATOM 169 C ALA A 12 12.421 6.529 -0.486 1.00 0.00 C ATOM 170 O ALA A 12 12.134 6.603 0.707 1.00 0.00 O ATOM 171 CB ALA A 12 10.535 6.837 -2.106 1.00 0.00 C ATOM 0 H ALA A 12 10.373 5.060 0.148 1.00 0.00 H new ATOM 0 HA ALA A 12 12.070 5.360 -2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.119 7.605 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.897 6.329 -2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.916 7.300 -1.338 1.00 0.00 H new ATOM 177 N PRO A 13 13.563 7.051 -0.976 1.00 0.00 N ATOM 178 CA PRO A 13 14.544 7.740 -0.131 1.00 0.00 C ATOM 179 C PRO A 13 13.889 8.629 0.923 1.00 0.00 C ATOM 180 O PRO A 13 12.835 9.218 0.681 1.00 0.00 O ATOM 181 CB PRO A 13 15.322 8.577 -1.141 1.00 0.00 C ATOM 182 CG PRO A 13 15.301 7.762 -2.389 1.00 0.00 C ATOM 183 CD PRO A 13 13.990 7.014 -2.389 1.00 0.00 C ATOM 0 HA PRO A 13 15.160 7.047 0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.856 9.550 -1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.342 8.761 -0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.385 8.399 -3.270 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.143 7.070 -2.415 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.258 7.490 -3.041 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.113 5.990 -2.743 1.00 0.00 H new ATOM 191 N MET A 14 14.518 8.725 2.093 1.00 0.00 N ATOM 192 CA MET A 14 13.975 9.537 3.178 1.00 0.00 C ATOM 193 C MET A 14 15.076 10.050 4.101 1.00 0.00 C ATOM 194 O MET A 14 14.871 10.997 4.861 1.00 0.00 O ATOM 195 CB MET A 14 12.962 8.720 3.982 1.00 0.00 C ATOM 196 CG MET A 14 12.177 9.540 4.992 1.00 0.00 C ATOM 197 SD MET A 14 11.112 10.768 4.213 1.00 0.00 S ATOM 198 CE MET A 14 10.301 11.470 5.647 1.00 0.00 C ATOM 0 H MET A 14 15.396 8.255 2.312 1.00 0.00 H new ATOM 0 HA MET A 14 13.481 10.401 2.734 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.264 8.244 3.293 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.487 7.921 4.506 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.569 8.872 5.602 1.00 0.00 H new ATOM 0 HG3 MET A 14 12.872 10.042 5.665 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.607 12.248 5.328 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.753 10.689 6.174 1.00 0.00 H new ATOM 0 HE3 MET A 14 11.048 11.901 6.313 1.00 0.00 H new ATOM 208 N ASP A 15 16.243 9.424 4.029 1.00 0.00 N ATOM 209 CA ASP A 15 17.375 9.816 4.865 1.00 0.00 C ATOM 210 C ASP A 15 18.602 10.115 4.016 1.00 0.00 C ATOM 211 O ASP A 15 19.549 10.755 4.473 1.00 0.00 O ATOM 212 CB ASP A 15 17.696 8.709 5.870 1.00 0.00 C ATOM 213 CG ASP A 15 18.902 9.037 6.729 1.00 0.00 C ATOM 214 OD1 ASP A 15 18.778 9.897 7.625 1.00 0.00 O ATOM 215 OD2 ASP A 15 19.973 8.433 6.503 1.00 0.00 O ATOM 0 H ASP A 15 16.433 8.643 3.401 1.00 0.00 H new ATOM 0 HA ASP A 15 17.100 10.723 5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.831 8.543 6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.878 7.778 5.334 1.00 0.00 H new ATOM 220 N ILE A 16 18.573 9.648 2.777 1.00 0.00 N ATOM 221 CA ILE A 16 19.680 9.853 1.853 1.00 0.00 C ATOM 222 C ILE A 16 19.456 11.086 0.994 1.00 0.00 C ATOM 223 O ILE A 16 20.368 11.883 0.776 1.00 0.00 O ATOM 224 CB ILE A 16 19.875 8.626 0.942 1.00 0.00 C ATOM 225 CG1 ILE A 16 20.809 8.960 -0.224 1.00 0.00 C ATOM 226 CG2 ILE A 16 18.527 8.137 0.433 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.093 7.782 -1.131 1.00 0.00 C ATOM 0 H ILE A 16 17.791 9.122 2.386 1.00 0.00 H new ATOM 0 HA ILE A 16 20.578 9.997 2.454 1.00 0.00 H new ATOM 0 HB ILE A 16 20.338 7.828 1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 16 20.367 9.763 -0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 16 21.751 9.337 0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.674 7.269 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 16 17.898 7.859 1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 16 18.042 8.931 -0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 16 21.761 8.094 -1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.564 6.985 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.158 7.418 -1.558 1.00 0.00 H new ATOM 239 N THR A 17 18.235 11.217 0.511 1.00 0.00 N ATOM 240 CA THR A 17 17.845 12.335 -0.334 1.00 0.00 C ATOM 241 C THR A 17 18.494 12.196 -1.695 1.00 0.00 C ATOM 242 O THR A 17 18.626 13.161 -2.448 1.00 0.00 O ATOM 243 CB THR A 17 18.237 13.684 0.292 1.00 0.00 C ATOM 244 OG1 THR A 17 17.868 13.706 1.676 1.00 0.00 O ATOM 245 CG2 THR A 17 17.566 14.843 -0.432 1.00 0.00 C ATOM 0 H THR A 17 17.483 10.552 0.692 1.00 0.00 H new ATOM 0 HA THR A 17 16.760 12.316 -0.436 1.00 0.00 H new ATOM 0 HB THR A 17 19.317 13.798 0.197 1.00 0.00 H new ATOM 0 HG1 THR A 17 18.122 14.567 2.069 1.00 0.00 H new ATOM 0 HG21 THR A 17 17.862 15.783 0.033 1.00 0.00 H new ATOM 0 HG22 THR A 17 17.871 14.844 -1.478 1.00 0.00 H new ATOM 0 HG23 THR A 17 16.483 14.733 -0.370 1.00 0.00 H new ATOM 253 N LEU A 18 18.875 10.967 -1.998 1.00 0.00 N ATOM 254 CA LEU A 18 19.523 10.634 -3.247 1.00 0.00 C ATOM 255 C LEU A 18 20.528 11.714 -3.636 1.00 0.00 C ATOM 256 O LEU A 18 20.223 12.622 -4.408 1.00 0.00 O ATOM 257 CB LEU A 18 18.467 10.449 -4.329 1.00 0.00 C ATOM 258 CG LEU A 18 18.903 9.606 -5.530 1.00 0.00 C ATOM 259 CD1 LEU A 18 20.124 10.218 -6.188 1.00 0.00 C ATOM 260 CD2 LEU A 18 19.189 8.175 -5.097 1.00 0.00 C ATOM 0 H LEU A 18 18.741 10.169 -1.377 1.00 0.00 H new ATOM 0 HA LEU A 18 20.074 9.701 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 18 17.588 9.986 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.161 11.432 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 18 18.091 9.590 -6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.422 9.608 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 18 19.887 11.226 -6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 18 20.942 10.261 -5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.498 7.588 -5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 18 19.986 8.172 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.288 7.739 -4.665 1.00 0.00 H new ATOM 272 N THR A 19 21.727 11.603 -3.081 1.00 0.00 N ATOM 273 CA THR A 19 22.792 12.559 -3.345 1.00 0.00 C ATOM 274 C THR A 19 24.148 11.942 -3.039 1.00 0.00 C ATOM 275 O THR A 19 25.185 12.427 -3.490 1.00 0.00 O ATOM 276 CB THR A 19 22.612 13.830 -2.503 1.00 0.00 C ATOM 277 OG1 THR A 19 23.871 14.491 -2.325 1.00 0.00 O ATOM 278 CG2 THR A 19 22.013 13.477 -1.157 1.00 0.00 C ATOM 0 H THR A 19 21.987 10.854 -2.440 1.00 0.00 H new ATOM 0 HA THR A 19 22.744 12.825 -4.401 1.00 0.00 H new ATOM 0 HB THR A 19 21.935 14.506 -3.026 1.00 0.00 H new ATOM 0 HG1 THR A 19 23.742 15.301 -1.788 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.888 14.384 -0.565 1.00 0.00 H new ATOM 0 HG22 THR A 19 21.042 13.003 -1.304 1.00 0.00 H new ATOM 0 HG23 THR A 19 22.677 12.790 -0.632 1.00 0.00 H new ATOM 286 N GLU A 20 24.122 10.862 -2.266 1.00 0.00 N ATOM 287 CA GLU A 20 25.336 10.154 -1.889 1.00 0.00 C ATOM 288 C GLU A 20 25.723 9.153 -2.972 1.00 0.00 C ATOM 289 O GLU A 20 24.947 8.258 -3.310 1.00 0.00 O ATOM 290 CB GLU A 20 25.125 9.440 -0.554 1.00 0.00 C ATOM 291 CG GLU A 20 26.372 8.752 -0.026 1.00 0.00 C ATOM 292 CD GLU A 20 27.523 9.715 0.195 1.00 0.00 C ATOM 293 OE1 GLU A 20 27.594 10.313 1.289 1.00 0.00 O ATOM 294 OE2 GLU A 20 28.351 9.870 -0.726 1.00 0.00 O ATOM 0 H GLU A 20 23.266 10.457 -1.887 1.00 0.00 H new ATOM 0 HA GLU A 20 26.148 10.874 -1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 20 24.780 10.164 0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 20 24.333 8.700 -0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 20 26.136 8.253 0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 20 26.681 7.979 -0.729 1.00 0.00 H new ATOM 301 N THR A 21 26.925 9.311 -3.515 1.00 0.00 N ATOM 302 CA THR A 21 27.407 8.431 -4.575 1.00 0.00 C ATOM 303 C THR A 21 27.795 7.054 -4.050 1.00 0.00 C ATOM 304 O THR A 21 27.375 6.036 -4.599 1.00 0.00 O ATOM 305 CB THR A 21 28.619 9.037 -5.300 1.00 0.00 C ATOM 306 OG1 THR A 21 29.628 9.404 -4.351 1.00 0.00 O ATOM 307 CG2 THR A 21 28.212 10.254 -6.116 1.00 0.00 C ATOM 0 H THR A 21 27.584 10.039 -3.239 1.00 0.00 H new ATOM 0 HA THR A 21 26.577 8.322 -5.273 1.00 0.00 H new ATOM 0 HB THR A 21 29.019 8.284 -5.979 1.00 0.00 H new ATOM 0 HG1 THR A 21 30.397 9.787 -4.823 1.00 0.00 H new ATOM 0 HG21 THR A 21 29.088 10.664 -6.619 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.470 9.962 -6.859 1.00 0.00 H new ATOM 0 HG23 THR A 21 27.786 11.009 -5.455 1.00 0.00 H new ATOM 315 N ARG A 22 28.594 7.022 -2.988 1.00 0.00 N ATOM 316 CA ARG A 22 29.041 5.756 -2.418 1.00 0.00 C ATOM 317 C ARG A 22 28.723 5.675 -0.929 1.00 0.00 C ATOM 318 O ARG A 22 28.526 6.694 -0.269 1.00 0.00 O ATOM 319 CB ARG A 22 30.540 5.578 -2.611 1.00 0.00 C ATOM 320 CG ARG A 22 31.027 5.913 -4.011 1.00 0.00 C ATOM 321 CD ARG A 22 32.517 5.651 -4.155 1.00 0.00 C ATOM 322 NE ARG A 22 32.850 4.248 -3.922 1.00 0.00 N ATOM 323 CZ ARG A 22 34.074 3.747 -4.064 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.077 4.531 -4.436 1.00 0.00 N ATOM 325 NH2 ARG A 22 34.296 2.460 -3.832 1.00 0.00 N ATOM 0 H ARG A 22 28.943 7.851 -2.508 1.00 0.00 H new ATOM 0 HA ARG A 22 28.506 4.962 -2.940 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.066 6.209 -1.894 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.805 4.546 -2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.479 5.318 -4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.817 6.960 -4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.841 5.939 -5.155 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.065 6.276 -3.450 1.00 0.00 H new ATOM 0 HE ARG A 22 32.102 3.617 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.911 5.522 -4.614 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.014 4.143 -4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 22 33.528 1.854 -3.544 1.00 0.00 H new ATOM 0 HH22 ARG A 22 35.235 2.077 -3.941 1.00 0.00 H new ATOM 339 N PHE A 23 28.678 4.454 -0.408 1.00 0.00 N ATOM 340 CA PHE A 23 28.392 4.210 1.001 1.00 0.00 C ATOM 341 C PHE A 23 29.409 3.220 1.572 1.00 0.00 C ATOM 342 O PHE A 23 30.613 3.465 1.511 1.00 0.00 O ATOM 343 CB PHE A 23 26.965 3.677 1.145 1.00 0.00 C ATOM 344 CG PHE A 23 25.942 4.520 0.436 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.897 4.549 -0.948 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.035 5.292 1.147 1.00 0.00 C ATOM 347 CE1 PHE A 23 24.976 5.329 -1.611 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.105 6.074 0.487 1.00 0.00 C ATOM 349 CZ PHE A 23 24.076 6.093 -0.894 1.00 0.00 C ATOM 0 H PHE A 23 28.839 3.605 -0.951 1.00 0.00 H new ATOM 0 HA PHE A 23 28.473 5.141 1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.923 2.661 0.753 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.710 3.622 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.595 3.951 -1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.055 5.282 2.227 1.00 0.00 H new ATOM 0 HE1 PHE A 23 24.957 5.343 -2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 23 23.402 6.669 1.051 1.00 0.00 H new ATOM 0 HZ PHE A 23 23.351 6.704 -1.412 1.00 0.00 H new ATOM 359 N LYS A 24 28.929 2.111 2.137 1.00 0.00 N ATOM 360 CA LYS A 24 29.815 1.086 2.680 1.00 0.00 C ATOM 361 C LYS A 24 29.040 -0.173 3.028 1.00 0.00 C ATOM 362 O LYS A 24 27.826 -0.133 3.206 1.00 0.00 O ATOM 363 CB LYS A 24 30.568 1.594 3.907 1.00 0.00 C ATOM 364 CG LYS A 24 29.757 2.551 4.769 1.00 0.00 C ATOM 365 CD LYS A 24 30.572 3.075 5.939 1.00 0.00 C ATOM 366 CE LYS A 24 29.779 4.076 6.766 1.00 0.00 C ATOM 367 NZ LYS A 24 28.559 3.466 7.360 1.00 0.00 N ATOM 0 H LYS A 24 27.935 1.902 2.229 1.00 0.00 H new ATOM 0 HA LYS A 24 30.545 0.845 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 24 30.873 0.742 4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.479 2.096 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 24 29.413 3.387 4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 24 28.869 2.042 5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 24 30.880 2.242 6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 24 31.482 3.547 5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 24 30.411 4.471 7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 24 29.493 4.920 6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.459 3.780 8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 27.723 3.761 6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.641 2.430 7.333 1.00 0.00 H new ATOM 381 N THR A 25 29.753 -1.289 3.137 1.00 0.00 N ATOM 382 CA THR A 25 29.123 -2.559 3.459 1.00 0.00 C ATOM 383 C THR A 25 28.446 -2.512 4.821 1.00 0.00 C ATOM 384 O THR A 25 27.706 -3.424 5.192 1.00 0.00 O ATOM 385 CB THR A 25 30.124 -3.718 3.447 1.00 0.00 C ATOM 386 OG1 THR A 25 31.451 -3.230 3.685 1.00 0.00 O ATOM 387 CG2 THR A 25 30.076 -4.483 2.125 1.00 0.00 C ATOM 0 H THR A 25 30.764 -1.338 3.007 1.00 0.00 H new ATOM 0 HA THR A 25 28.376 -2.731 2.684 1.00 0.00 H new ATOM 0 HB THR A 25 29.846 -4.407 4.245 1.00 0.00 H new ATOM 0 HG1 THR A 25 32.082 -3.980 3.677 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.799 -5.299 2.150 1.00 0.00 H new ATOM 0 HG22 THR A 25 29.076 -4.889 1.976 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.320 -3.808 1.305 1.00 0.00 H new ATOM 395 N GLY A 26 28.704 -1.443 5.558 1.00 0.00 N ATOM 396 CA GLY A 26 28.108 -1.284 6.867 1.00 0.00 C ATOM 397 C GLY A 26 27.046 -0.208 6.867 1.00 0.00 C ATOM 398 O GLY A 26 26.310 -0.046 7.840 1.00 0.00 O ATOM 0 H GLY A 26 29.318 -0.680 5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.669 -2.230 7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.882 -1.032 7.592 1.00 0.00 H new ATOM 402 N THR A 27 26.968 0.530 5.762 1.00 0.00 N ATOM 403 CA THR A 27 25.997 1.610 5.611 1.00 0.00 C ATOM 404 C THR A 27 24.571 1.079 5.677 1.00 0.00 C ATOM 405 O THR A 27 24.348 -0.127 5.589 1.00 0.00 O ATOM 406 CB THR A 27 26.184 2.349 4.271 1.00 0.00 C ATOM 407 OG1 THR A 27 25.610 3.659 4.351 1.00 0.00 O ATOM 408 CG2 THR A 27 25.531 1.579 3.131 1.00 0.00 C ATOM 0 H THR A 27 27.572 0.397 4.951 1.00 0.00 H new ATOM 0 HA THR A 27 26.168 2.304 6.434 1.00 0.00 H new ATOM 0 HB THR A 27 27.253 2.428 4.073 1.00 0.00 H new ATOM 0 HG1 THR A 27 25.025 3.807 3.579 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.676 2.120 2.196 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.985 0.591 3.053 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.464 1.474 3.327 1.00 0.00 H new ATOM 416 N THR A 28 23.604 1.982 5.821 1.00 0.00 N ATOM 417 CA THR A 28 22.201 1.588 5.882 1.00 0.00 C ATOM 418 C THR A 28 21.276 2.776 5.630 1.00 0.00 C ATOM 419 O THR A 28 21.344 3.789 6.326 1.00 0.00 O ATOM 420 CB THR A 28 21.843 0.956 7.241 1.00 0.00 C ATOM 421 OG1 THR A 28 22.721 -0.140 7.526 1.00 0.00 O ATOM 422 CG2 THR A 28 20.404 0.467 7.245 1.00 0.00 C ATOM 0 H THR A 28 23.766 2.986 5.897 1.00 0.00 H new ATOM 0 HA THR A 28 22.057 0.846 5.097 1.00 0.00 H new ATOM 0 HB THR A 28 21.958 1.720 8.010 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.126 -0.460 6.693 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.173 0.025 8.214 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.734 1.307 7.060 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.272 -0.281 6.464 1.00 0.00 H new ATOM 430 N LEU A 29 20.411 2.640 4.627 1.00 0.00 N ATOM 431 CA LEU A 29 19.479 3.705 4.275 1.00 0.00 C ATOM 432 C LEU A 29 18.270 3.694 5.207 1.00 0.00 C ATOM 433 O LEU A 29 18.285 3.046 6.253 1.00 0.00 O ATOM 434 CB LEU A 29 19.002 3.555 2.824 1.00 0.00 C ATOM 435 CG LEU A 29 20.067 3.746 1.737 1.00 0.00 C ATOM 436 CD1 LEU A 29 20.788 5.076 1.905 1.00 0.00 C ATOM 437 CD2 LEU A 29 21.053 2.590 1.747 1.00 0.00 C ATOM 0 H LEU A 29 20.337 1.805 4.046 1.00 0.00 H new ATOM 0 HA LEU A 29 20.006 4.653 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.568 2.562 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.202 4.275 2.650 1.00 0.00 H new ATOM 0 HG LEU A 29 19.565 3.760 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 29 21.537 5.185 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 29 20.068 5.891 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 29 21.275 5.105 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.801 2.743 0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 29 21.545 2.540 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.521 1.657 1.561 1.00 0.00 H new ATOM 449 N LYS A 30 17.224 4.419 4.818 1.00 0.00 N ATOM 450 CA LYS A 30 15.998 4.484 5.605 1.00 0.00 C ATOM 451 C LYS A 30 14.800 4.127 4.735 1.00 0.00 C ATOM 452 O LYS A 30 14.170 3.086 4.925 1.00 0.00 O ATOM 453 CB LYS A 30 15.810 5.881 6.200 1.00 0.00 C ATOM 454 CG LYS A 30 15.278 5.872 7.628 1.00 0.00 C ATOM 455 CD LYS A 30 13.924 5.184 7.728 1.00 0.00 C ATOM 456 CE LYS A 30 12.859 5.923 6.933 1.00 0.00 C ATOM 457 NZ LYS A 30 11.503 5.347 7.151 1.00 0.00 N ATOM 0 H LYS A 30 17.202 4.971 3.960 1.00 0.00 H new ATOM 0 HA LYS A 30 16.076 3.767 6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.765 6.406 6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.123 6.445 5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.991 5.364 8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.191 6.897 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.007 4.161 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.622 5.124 8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.857 6.975 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.104 5.882 5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.811 6.117 7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.243 4.753 6.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.506 4.768 8.015 1.00 0.00 H new ATOM 471 N TYR A 31 14.496 5.004 3.782 1.00 0.00 N ATOM 472 CA TYR A 31 13.386 4.796 2.858 1.00 0.00 C ATOM 473 C TYR A 31 12.036 4.786 3.576 1.00 0.00 C ATOM 474 O TYR A 31 11.849 4.092 4.575 1.00 0.00 O ATOM 475 CB TYR A 31 13.583 3.491 2.081 1.00 0.00 C ATOM 476 CG TYR A 31 14.587 3.600 0.956 1.00 0.00 C ATOM 477 CD1 TYR A 31 15.951 3.552 1.211 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.171 3.751 -0.361 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.872 3.653 0.186 1.00 0.00 C ATOM 480 CE2 TYR A 31 15.087 3.851 -1.392 1.00 0.00 C ATOM 481 CZ TYR A 31 16.436 3.802 -1.112 1.00 0.00 C ATOM 482 OH TYR A 31 17.351 3.901 -2.135 1.00 0.00 O ATOM 0 H TYR A 31 15.008 5.873 3.629 1.00 0.00 H new ATOM 0 HA TYR A 31 13.378 5.634 2.161 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.907 2.713 2.772 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.624 3.174 1.671 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.298 3.434 2.227 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.115 3.791 -0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.930 3.615 0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.748 3.967 -2.411 1.00 0.00 H new ATOM 0 HH TYR A 31 16.879 4.000 -2.988 1.00 0.00 H new ATOM 492 N THR A 32 11.101 5.568 3.046 1.00 0.00 N ATOM 493 CA THR A 32 9.758 5.655 3.606 1.00 0.00 C ATOM 494 C THR A 32 8.781 4.852 2.757 1.00 0.00 C ATOM 495 O THR A 32 8.584 5.141 1.577 1.00 0.00 O ATOM 496 CB THR A 32 9.276 7.116 3.701 1.00 0.00 C ATOM 497 OG1 THR A 32 7.844 7.163 3.715 1.00 0.00 O ATOM 498 CG2 THR A 32 9.809 7.942 2.541 1.00 0.00 C ATOM 0 H THR A 32 11.251 6.154 2.224 1.00 0.00 H new ATOM 0 HA THR A 32 9.796 5.242 4.614 1.00 0.00 H new ATOM 0 HB THR A 32 9.659 7.540 4.629 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.548 8.095 3.777 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.454 8.969 2.632 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.899 7.932 2.558 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.457 7.518 1.601 1.00 0.00 H new ATOM 506 N CYS A 33 8.170 3.842 3.367 1.00 0.00 N ATOM 507 CA CYS A 33 7.236 2.975 2.660 1.00 0.00 C ATOM 508 C CYS A 33 5.927 3.683 2.318 1.00 0.00 C ATOM 509 O CYS A 33 5.154 4.087 3.187 1.00 0.00 O ATOM 510 CB CYS A 33 6.950 1.721 3.489 1.00 0.00 C ATOM 511 SG CYS A 33 8.404 0.652 3.740 1.00 0.00 S ATOM 0 H CYS A 33 8.305 3.604 4.350 1.00 0.00 H new ATOM 0 HA CYS A 33 7.709 2.695 1.719 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.561 2.022 4.462 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.167 1.143 2.997 1.00 0.00 H new ATOM 516 N LEU A 34 5.733 3.823 1.005 1.00 0.00 N ATOM 517 CA LEU A 34 4.559 4.475 0.422 1.00 0.00 C ATOM 518 C LEU A 34 3.267 4.105 1.152 1.00 0.00 C ATOM 519 O LEU A 34 3.220 3.125 1.884 1.00 0.00 O ATOM 520 CB LEU A 34 4.437 4.108 -1.058 1.00 0.00 C ATOM 521 CG LEU A 34 5.541 4.661 -1.967 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.157 4.483 -3.426 1.00 0.00 C ATOM 523 CD2 LEU A 34 5.816 6.127 -1.661 1.00 0.00 C ATOM 0 H LEU A 34 6.395 3.482 0.308 1.00 0.00 H new ATOM 0 HA LEU A 34 4.701 5.550 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.428 3.022 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.475 4.465 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 34 6.456 4.101 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.949 4.879 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.017 3.423 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.229 5.019 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.603 6.495 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.908 6.709 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.134 6.229 -0.623 1.00 0.00 H new ATOM 535 N PRO A 35 2.194 4.894 0.943 1.00 0.00 N ATOM 536 CA PRO A 35 0.891 4.672 1.592 1.00 0.00 C ATOM 537 C PRO A 35 0.305 3.277 1.380 1.00 0.00 C ATOM 538 O PRO A 35 0.274 2.463 2.300 1.00 0.00 O ATOM 539 CB PRO A 35 -0.016 5.721 0.942 1.00 0.00 C ATOM 540 CG PRO A 35 0.908 6.786 0.468 1.00 0.00 C ATOM 541 CD PRO A 35 2.171 6.081 0.065 1.00 0.00 C ATOM 0 HA PRO A 35 0.989 4.755 2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.584 5.294 0.115 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.739 6.115 1.656 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.479 7.331 -0.373 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.101 7.515 1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.157 5.802 -0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.048 6.710 0.216 1.00 0.00 H new ATOM 549 N GLY A 36 -0.187 3.019 0.177 1.00 0.00 N ATOM 550 CA GLY A 36 -0.811 1.741 -0.141 1.00 0.00 C ATOM 551 C GLY A 36 0.152 0.568 -0.170 1.00 0.00 C ATOM 552 O GLY A 36 -0.155 -0.473 -0.750 1.00 0.00 O ATOM 0 H GLY A 36 -0.166 3.681 -0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.591 1.538 0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.299 1.820 -1.112 1.00 0.00 H new ATOM 556 N TYR A 37 1.317 0.736 0.439 1.00 0.00 N ATOM 557 CA TYR A 37 2.291 -0.347 0.494 1.00 0.00 C ATOM 558 C TYR A 37 1.648 -1.627 1.030 1.00 0.00 C ATOM 559 O TYR A 37 1.805 -2.692 0.441 1.00 0.00 O ATOM 560 CB TYR A 37 3.495 0.047 1.352 1.00 0.00 C ATOM 561 CG TYR A 37 3.210 0.046 2.833 1.00 0.00 C ATOM 562 CD1 TYR A 37 2.426 1.034 3.404 1.00 0.00 C ATOM 563 CD2 TYR A 37 3.718 -0.950 3.652 1.00 0.00 C ATOM 564 CE1 TYR A 37 2.156 1.036 4.759 1.00 0.00 C ATOM 565 CE2 TYR A 37 3.454 -0.960 5.008 1.00 0.00 C ATOM 566 CZ TYR A 37 2.673 0.035 5.558 1.00 0.00 C ATOM 567 OH TYR A 37 2.408 0.031 6.908 1.00 0.00 O ATOM 0 H TYR A 37 1.609 1.599 0.897 1.00 0.00 H new ATOM 0 HA TYR A 37 2.641 -0.537 -0.520 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.316 -0.641 1.148 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.831 1.041 1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.019 1.816 2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.330 -1.730 3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.545 1.815 5.190 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.857 -1.743 5.634 1.00 0.00 H new ATOM 0 HH TYR A 37 1.534 0.443 7.071 1.00 0.00 H new ATOM 577 N VAL A 38 0.927 -1.510 2.152 1.00 0.00 N ATOM 578 CA VAL A 38 0.240 -2.645 2.777 1.00 0.00 C ATOM 579 C VAL A 38 1.197 -3.799 3.079 1.00 0.00 C ATOM 580 O VAL A 38 2.252 -3.926 2.461 1.00 0.00 O ATOM 581 CB VAL A 38 -0.931 -3.176 1.918 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.672 -2.033 1.241 1.00 0.00 C ATOM 583 CG2 VAL A 38 -0.451 -4.191 0.897 1.00 0.00 C ATOM 0 H VAL A 38 0.804 -0.628 2.650 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.162 -2.258 3.713 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.628 -3.682 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.491 -2.434 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.072 -1.359 1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.985 -1.486 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.298 -4.545 0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.280 -3.725 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.011 -5.034 1.411 1.00 0.00 H new ATOM 593 N ARG A 39 0.814 -4.632 4.043 1.00 0.00 N ATOM 594 CA ARG A 39 1.613 -5.790 4.438 1.00 0.00 C ATOM 595 C ARG A 39 3.096 -5.452 4.583 1.00 0.00 C ATOM 596 O ARG A 39 3.484 -4.284 4.598 1.00 0.00 O ATOM 597 CB ARG A 39 1.453 -6.918 3.420 1.00 0.00 C ATOM 598 CG ARG A 39 0.036 -7.451 3.316 1.00 0.00 C ATOM 599 CD ARG A 39 -0.037 -8.647 2.382 1.00 0.00 C ATOM 600 NE ARG A 39 -1.401 -9.146 2.235 1.00 0.00 N ATOM 601 CZ ARG A 39 -1.698 -10.339 1.730 1.00 0.00 C ATOM 602 NH1 ARG A 39 -0.731 -11.150 1.322 1.00 0.00 N ATOM 603 NH2 ARG A 39 -2.963 -10.722 1.631 1.00 0.00 N ATOM 0 H ARG A 39 -0.053 -4.525 4.570 1.00 0.00 H new ATOM 0 HA ARG A 39 1.244 -6.109 5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.769 -6.559 2.441 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.120 -7.736 3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.321 -7.737 4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.625 -6.664 2.954 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.354 -8.367 1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.601 -9.444 2.764 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.169 -8.546 2.537 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.244 -10.859 1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.962 -12.065 0.935 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.710 -10.101 1.943 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.190 -11.638 1.243 1.00 0.00 H new ATOM 617 N SER A 40 3.908 -6.501 4.701 1.00 0.00 N ATOM 618 CA SER A 40 5.358 -6.374 4.827 1.00 0.00 C ATOM 619 C SER A 40 5.767 -5.213 5.732 1.00 0.00 C ATOM 620 O SER A 40 5.877 -4.072 5.286 1.00 0.00 O ATOM 621 CB SER A 40 5.987 -6.209 3.444 1.00 0.00 C ATOM 622 OG SER A 40 5.715 -7.332 2.623 1.00 0.00 O ATOM 0 H SER A 40 3.577 -7.466 4.712 1.00 0.00 H new ATOM 0 HA SER A 40 5.725 -7.288 5.294 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.601 -5.306 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.065 -6.080 3.544 1.00 0.00 H new ATOM 0 HG SER A 40 6.495 -7.924 2.610 1.00 0.00 H new ATOM 628 N HIS A 41 5.994 -5.518 7.005 1.00 0.00 N ATOM 629 CA HIS A 41 6.411 -4.510 7.975 1.00 0.00 C ATOM 630 C HIS A 41 7.675 -4.960 8.701 1.00 0.00 C ATOM 631 O HIS A 41 8.170 -4.271 9.593 1.00 0.00 O ATOM 632 CB HIS A 41 5.307 -4.257 9.000 1.00 0.00 C ATOM 633 CG HIS A 41 3.956 -4.030 8.398 1.00 0.00 C ATOM 634 ND1 HIS A 41 3.052 -5.048 8.176 1.00 0.00 N ATOM 635 CD2 HIS A 41 3.351 -2.893 7.981 1.00 0.00 C ATOM 636 CE1 HIS A 41 1.950 -4.547 7.648 1.00 0.00 C ATOM 637 NE2 HIS A 41 2.105 -3.241 7.520 1.00 0.00 N ATOM 0 H HIS A 41 5.896 -6.457 7.391 1.00 0.00 H new ATOM 0 HA HIS A 41 6.613 -3.587 7.432 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.253 -5.109 9.678 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.576 -3.388 9.601 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.770 -1.898 8.006 1.00 0.00 H new ATOM 0 HE1 HIS A 41 1.071 -5.109 7.368 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.412 -2.596 7.140 1.00 0.00 H new ATOM 646 N SER A 42 8.186 -6.121 8.308 1.00 0.00 N ATOM 647 CA SER A 42 9.385 -6.684 8.921 1.00 0.00 C ATOM 648 C SER A 42 10.535 -5.686 8.933 1.00 0.00 C ATOM 649 O SER A 42 11.390 -5.727 9.817 1.00 0.00 O ATOM 650 CB SER A 42 9.809 -7.953 8.179 1.00 0.00 C ATOM 651 OG SER A 42 8.820 -8.962 8.283 1.00 0.00 O ATOM 0 H SER A 42 7.787 -6.694 7.564 1.00 0.00 H new ATOM 0 HA SER A 42 9.142 -6.928 9.955 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.987 -7.721 7.129 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.750 -8.319 8.588 1.00 0.00 H new ATOM 0 HG SER A 42 9.116 -9.761 7.799 1.00 0.00 H new ATOM 657 N THR A 43 10.537 -4.781 7.960 1.00 0.00 N ATOM 658 CA THR A 43 11.591 -3.776 7.839 1.00 0.00 C ATOM 659 C THR A 43 12.962 -4.435 7.677 1.00 0.00 C ATOM 660 O THR A 43 13.275 -5.413 8.354 1.00 0.00 O ATOM 661 CB THR A 43 11.608 -2.849 9.066 1.00 0.00 C ATOM 662 OG1 THR A 43 10.413 -2.059 9.097 1.00 0.00 O ATOM 663 CG2 THR A 43 12.826 -1.937 9.054 1.00 0.00 C ATOM 0 H THR A 43 9.817 -4.722 7.240 1.00 0.00 H new ATOM 0 HA THR A 43 11.377 -3.184 6.949 1.00 0.00 H new ATOM 0 HB THR A 43 11.659 -3.473 9.958 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.639 -2.642 9.245 1.00 0.00 H new ATOM 0 HG21 THR A 43 12.808 -1.295 9.934 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.733 -2.541 9.064 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.810 -1.321 8.155 1.00 0.00 H new ATOM 671 N GLN A 44 13.786 -3.901 6.776 1.00 0.00 N ATOM 672 CA GLN A 44 15.110 -4.472 6.546 1.00 0.00 C ATOM 673 C GLN A 44 16.122 -3.423 6.087 1.00 0.00 C ATOM 674 O GLN A 44 17.329 -3.637 6.204 1.00 0.00 O ATOM 675 CB GLN A 44 15.024 -5.599 5.516 1.00 0.00 C ATOM 676 CG GLN A 44 16.316 -6.386 5.366 1.00 0.00 C ATOM 677 CD GLN A 44 16.811 -6.950 6.685 1.00 0.00 C ATOM 678 OE1 GLN A 44 17.591 -6.312 7.391 1.00 0.00 O ATOM 679 NE2 GLN A 44 16.353 -8.149 7.025 1.00 0.00 N ATOM 0 H GLN A 44 13.564 -3.087 6.202 1.00 0.00 H new ATOM 0 HA GLN A 44 15.461 -4.869 7.498 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.224 -6.281 5.802 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.751 -5.176 4.549 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.160 -7.203 4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 44 17.084 -5.740 4.940 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.707 -8.642 6.408 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.647 -8.577 7.903 1.00 0.00 H new ATOM 688 N THR A 45 15.634 -2.305 5.551 1.00 0.00 N ATOM 689 CA THR A 45 16.506 -1.231 5.077 1.00 0.00 C ATOM 690 C THR A 45 17.489 -1.744 4.028 1.00 0.00 C ATOM 691 O THR A 45 17.481 -2.925 3.680 1.00 0.00 O ATOM 692 CB THR A 45 17.284 -0.561 6.230 1.00 0.00 C ATOM 693 OG1 THR A 45 18.161 -1.503 6.858 1.00 0.00 O ATOM 694 CG2 THR A 45 16.327 0.014 7.264 1.00 0.00 C ATOM 0 H THR A 45 14.638 -2.119 5.434 1.00 0.00 H new ATOM 0 HA THR A 45 15.856 -0.481 4.625 1.00 0.00 H new ATOM 0 HB THR A 45 17.876 0.251 5.808 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.167 -2.338 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.897 0.481 8.067 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.687 0.759 6.792 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.711 -0.786 7.674 1.00 0.00 H new ATOM 702 N LEU A 46 18.329 -0.849 3.521 1.00 0.00 N ATOM 703 CA LEU A 46 19.301 -1.211 2.496 1.00 0.00 C ATOM 704 C LEU A 46 20.728 -1.108 3.026 1.00 0.00 C ATOM 705 O LEU A 46 21.150 -0.064 3.520 1.00 0.00 O ATOM 706 CB LEU A 46 19.126 -0.322 1.266 1.00 0.00 C ATOM 707 CG LEU A 46 18.048 -0.792 0.290 1.00 0.00 C ATOM 708 CD1 LEU A 46 17.681 0.315 -0.680 1.00 0.00 C ATOM 709 CD2 LEU A 46 18.522 -2.021 -0.464 1.00 0.00 C ATOM 0 H LEU A 46 18.357 0.131 3.802 1.00 0.00 H new ATOM 0 HA LEU A 46 19.123 -2.248 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.884 0.688 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 46 20.077 -0.265 0.737 1.00 0.00 H new ATOM 0 HG LEU A 46 17.157 -1.053 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.912 -0.042 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 46 17.303 1.174 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.564 0.609 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.745 -2.346 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.427 -1.779 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.735 -2.822 0.244 1.00 0.00 H new ATOM 721 N THR A 47 21.464 -2.212 2.912 1.00 0.00 N ATOM 722 CA THR A 47 22.852 -2.274 3.359 1.00 0.00 C ATOM 723 C THR A 47 23.738 -2.794 2.236 1.00 0.00 C ATOM 724 O THR A 47 23.256 -3.470 1.327 1.00 0.00 O ATOM 725 CB THR A 47 23.010 -3.209 4.576 1.00 0.00 C ATOM 726 OG1 THR A 47 22.013 -2.909 5.560 1.00 0.00 O ATOM 727 CG2 THR A 47 24.393 -3.071 5.194 1.00 0.00 C ATOM 0 H THR A 47 21.117 -3.083 2.510 1.00 0.00 H new ATOM 0 HA THR A 47 23.149 -1.265 3.644 1.00 0.00 H new ATOM 0 HB THR A 47 22.884 -4.235 4.231 1.00 0.00 H new ATOM 0 HG1 THR A 47 22.120 -3.509 6.328 1.00 0.00 H new ATOM 0 HG21 THR A 47 24.478 -3.741 6.050 1.00 0.00 H new ATOM 0 HG22 THR A 47 25.150 -3.331 4.454 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.544 -2.043 5.522 1.00 0.00 H new ATOM 735 N CYS A 48 25.029 -2.485 2.291 1.00 0.00 N ATOM 736 CA CYS A 48 25.943 -2.957 1.272 1.00 0.00 C ATOM 737 C CYS A 48 26.455 -4.328 1.673 1.00 0.00 C ATOM 738 O CYS A 48 27.067 -4.496 2.727 1.00 0.00 O ATOM 739 CB CYS A 48 27.097 -1.979 1.084 1.00 0.00 C ATOM 740 SG CYS A 48 26.838 -0.752 -0.233 1.00 0.00 S ATOM 0 H CYS A 48 25.457 -1.917 3.022 1.00 0.00 H new ATOM 0 HA CYS A 48 25.420 -3.029 0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 48 27.269 -1.454 2.024 1.00 0.00 H new ATOM 0 HB3 CYS A 48 28.003 -2.544 0.864 1.00 0.00 H new ATOM 745 N ASN A 49 26.188 -5.304 0.828 1.00 0.00 N ATOM 746 CA ASN A 49 26.655 -6.656 1.059 1.00 0.00 C ATOM 747 C ASN A 49 27.933 -6.888 0.261 1.00 0.00 C ATOM 748 O ASN A 49 28.357 -6.017 -0.499 1.00 0.00 O ATOM 749 CB ASN A 49 25.581 -7.660 0.646 1.00 0.00 C ATOM 750 CG ASN A 49 24.946 -7.290 -0.676 1.00 0.00 C ATOM 751 OD1 ASN A 49 23.977 -6.387 -0.630 1.00 0.00 O flip ATOM 752 ND2 ASN A 49 25.328 -7.799 -1.727 1.00 0.00 N flip ATOM 0 H ASN A 49 25.647 -5.185 -0.029 1.00 0.00 H new ATOM 0 HA ASN A 49 26.863 -6.793 2.120 1.00 0.00 H new ATOM 0 HB2 ASN A 49 26.022 -8.654 0.572 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.813 -7.709 1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 49 26.078 -8.491 -1.716 1.00 0.00 H new ATOM 0 HD22 ASN A 49 24.896 -7.530 -2.611 1.00 0.00 H new ATOM 759 N SER A 50 28.546 -8.048 0.430 1.00 0.00 N ATOM 760 CA SER A 50 29.768 -8.362 -0.302 1.00 0.00 C ATOM 761 C SER A 50 29.402 -9.010 -1.636 1.00 0.00 C ATOM 762 O SER A 50 29.720 -10.171 -1.896 1.00 0.00 O ATOM 763 CB SER A 50 30.663 -9.293 0.518 1.00 0.00 C ATOM 764 OG SER A 50 31.841 -9.628 -0.196 1.00 0.00 O ATOM 0 H SER A 50 28.224 -8.783 1.060 1.00 0.00 H new ATOM 0 HA SER A 50 30.322 -7.442 -0.487 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.929 -8.811 1.459 1.00 0.00 H new ATOM 0 HB3 SER A 50 30.115 -10.201 0.769 1.00 0.00 H new ATOM 0 HG SER A 50 31.600 -10.076 -1.033 1.00 0.00 H new ATOM 770 N ASP A 51 28.720 -8.231 -2.471 1.00 0.00 N ATOM 771 CA ASP A 51 28.270 -8.669 -3.789 1.00 0.00 C ATOM 772 C ASP A 51 28.219 -7.487 -4.746 1.00 0.00 C ATOM 773 O ASP A 51 27.836 -7.622 -5.909 1.00 0.00 O ATOM 774 CB ASP A 51 26.876 -9.280 -3.688 1.00 0.00 C ATOM 775 CG ASP A 51 26.801 -10.393 -2.661 1.00 0.00 C ATOM 776 OD1 ASP A 51 26.622 -10.086 -1.463 1.00 0.00 O ATOM 777 OD2 ASP A 51 26.922 -11.573 -3.053 1.00 0.00 O ATOM 0 H ASP A 51 28.462 -7.269 -2.250 1.00 0.00 H new ATOM 0 HA ASP A 51 28.973 -9.413 -4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 51 26.160 -8.501 -3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.582 -9.670 -4.663 1.00 0.00 H new ATOM 782 N GLY A 52 28.612 -6.325 -4.236 1.00 0.00 N ATOM 783 CA GLY A 52 28.586 -5.117 -5.037 1.00 0.00 C ATOM 784 C GLY A 52 27.179 -4.692 -5.415 1.00 0.00 C ATOM 785 O GLY A 52 26.968 -3.922 -6.351 1.00 0.00 O ATOM 0 H GLY A 52 28.948 -6.199 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 52 29.068 -4.310 -4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.169 -5.276 -5.944 1.00 0.00 H new ATOM 789 N GLU A 53 26.226 -5.218 -4.657 1.00 0.00 N ATOM 790 CA GLU A 53 24.819 -4.893 -4.863 1.00 0.00 C ATOM 791 C GLU A 53 24.124 -4.609 -3.538 1.00 0.00 C ATOM 792 O GLU A 53 24.708 -4.789 -2.470 1.00 0.00 O ATOM 793 CB GLU A 53 24.109 -6.042 -5.583 1.00 0.00 C ATOM 794 CG GLU A 53 23.799 -7.228 -4.683 1.00 0.00 C ATOM 795 CD GLU A 53 23.310 -8.436 -5.458 1.00 0.00 C ATOM 796 OE1 GLU A 53 24.147 -9.120 -6.082 1.00 0.00 O ATOM 797 OE2 GLU A 53 22.088 -8.697 -5.440 1.00 0.00 O ATOM 0 H GLU A 53 26.401 -5.872 -3.894 1.00 0.00 H new ATOM 0 HA GLU A 53 24.768 -3.996 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.179 -5.670 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.731 -6.379 -6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.694 -7.498 -4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.042 -6.938 -3.954 1.00 0.00 H new ATOM 804 N TRP A 54 22.881 -4.148 -3.617 1.00 0.00 N ATOM 805 CA TRP A 54 22.094 -3.858 -2.440 1.00 0.00 C ATOM 806 C TRP A 54 21.179 -5.034 -2.133 1.00 0.00 C ATOM 807 O TRP A 54 20.260 -5.348 -2.889 1.00 0.00 O ATOM 808 CB TRP A 54 21.276 -2.589 -2.670 1.00 0.00 C ATOM 809 CG TRP A 54 22.115 -1.350 -2.788 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.427 -0.672 -3.932 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.749 -0.645 -1.719 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.217 0.414 -3.635 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.429 0.452 -2.282 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.806 -0.838 -0.341 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.158 1.355 -1.507 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.527 0.056 0.429 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.195 1.141 -0.156 1.00 0.00 C ATOM 0 H TRP A 54 22.399 -3.968 -4.497 1.00 0.00 H new ATOM 0 HA TRP A 54 22.755 -3.699 -1.588 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.685 -2.706 -3.579 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.573 -2.465 -1.847 1.00 0.00 H new ATOM 0 HD1 TRP A 54 22.101 -0.948 -4.924 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.585 1.082 -4.312 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.296 -1.672 0.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.673 2.191 -1.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.576 -0.084 1.499 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.750 1.822 0.472 1.00 0.00 H new ATOM 828 N VAL A 55 21.455 -5.674 -1.004 1.00 0.00 N ATOM 829 CA VAL A 55 20.704 -6.834 -0.552 1.00 0.00 C ATOM 830 C VAL A 55 19.663 -6.384 0.460 1.00 0.00 C ATOM 831 O VAL A 55 19.894 -5.417 1.188 1.00 0.00 O ATOM 832 CB VAL A 55 21.639 -7.889 0.079 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.956 -8.621 1.219 1.00 0.00 C ATOM 834 CG2 VAL A 55 22.123 -8.872 -0.976 1.00 0.00 C ATOM 0 H VAL A 55 22.210 -5.400 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 55 20.213 -7.295 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 55 22.503 -7.367 0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.641 -9.356 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.670 -7.906 1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.066 -9.127 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.781 -9.608 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 55 21.267 -9.379 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.669 -8.334 -1.751 1.00 0.00 H new ATOM 844 N TYR A 56 18.530 -7.078 0.527 1.00 0.00 N ATOM 845 CA TYR A 56 17.507 -6.706 1.498 1.00 0.00 C ATOM 846 C TYR A 56 16.253 -7.563 1.394 1.00 0.00 C ATOM 847 O TYR A 56 16.127 -8.398 0.498 1.00 0.00 O ATOM 848 CB TYR A 56 17.111 -5.243 1.294 1.00 0.00 C ATOM 849 CG TYR A 56 16.539 -4.971 -0.082 1.00 0.00 C ATOM 850 CD1 TYR A 56 17.366 -4.890 -1.196 1.00 0.00 C ATOM 851 CD2 TYR A 56 15.172 -4.806 -0.269 1.00 0.00 C ATOM 852 CE1 TYR A 56 16.851 -4.647 -2.455 1.00 0.00 C ATOM 853 CE2 TYR A 56 14.647 -4.566 -1.526 1.00 0.00 C ATOM 854 CZ TYR A 56 15.490 -4.486 -2.614 1.00 0.00 C ATOM 855 OH TYR A 56 14.971 -4.248 -3.867 1.00 0.00 O ATOM 0 H TYR A 56 18.301 -7.879 -0.062 1.00 0.00 H new ATOM 0 HA TYR A 56 17.941 -6.864 2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.376 -4.963 2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.985 -4.611 1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 56 18.431 -5.019 -1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 56 14.509 -4.866 0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.509 -4.584 -3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.582 -4.442 -1.655 1.00 0.00 H new ATOM 0 HH TYR A 56 13.997 -4.160 -3.806 1.00 0.00 H new ATOM 865 N ASN A 57 15.328 -7.346 2.321 1.00 0.00 N ATOM 866 CA ASN A 57 14.078 -8.087 2.345 1.00 0.00 C ATOM 867 C ASN A 57 12.919 -7.157 2.010 1.00 0.00 C ATOM 868 O ASN A 57 13.129 -6.027 1.574 1.00 0.00 O ATOM 869 CB ASN A 57 13.869 -8.729 3.717 1.00 0.00 C ATOM 870 CG ASN A 57 12.882 -9.880 3.677 1.00 0.00 C ATOM 871 OD1 ASN A 57 12.748 -10.562 2.661 1.00 0.00 O ATOM 872 ND2 ASN A 57 12.187 -10.104 4.786 1.00 0.00 N ATOM 0 H ASN A 57 15.423 -6.659 3.069 1.00 0.00 H new ATOM 0 HA ASN A 57 14.120 -8.879 1.598 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.826 -9.088 4.096 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.513 -7.974 4.417 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.510 -10.866 4.818 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.330 -9.514 5.605 1.00 0.00 H new ATOM 879 N THR A 58 11.698 -7.629 2.215 1.00 0.00 N ATOM 880 CA THR A 58 10.523 -6.828 1.921 1.00 0.00 C ATOM 881 C THR A 58 10.024 -6.088 3.160 1.00 0.00 C ATOM 882 O THR A 58 9.316 -6.657 3.991 1.00 0.00 O ATOM 883 CB THR A 58 9.384 -7.695 1.358 1.00 0.00 C ATOM 884 OG1 THR A 58 9.886 -8.550 0.324 1.00 0.00 O ATOM 885 CG2 THR A 58 8.276 -6.821 0.799 1.00 0.00 C ATOM 0 H THR A 58 11.497 -8.559 2.582 1.00 0.00 H new ATOM 0 HA THR A 58 10.822 -6.097 1.170 1.00 0.00 H new ATOM 0 HB THR A 58 8.980 -8.302 2.168 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.156 -9.100 -0.029 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.479 -7.452 0.405 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.879 -6.186 1.591 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.674 -6.197 -0.001 1.00 0.00 H new ATOM 893 N PHE A 59 10.402 -4.817 3.277 1.00 0.00 N ATOM 894 CA PHE A 59 9.983 -3.994 4.408 1.00 0.00 C ATOM 895 C PHE A 59 8.613 -3.378 4.137 1.00 0.00 C ATOM 896 O PHE A 59 8.053 -2.682 4.984 1.00 0.00 O ATOM 897 CB PHE A 59 11.012 -2.895 4.702 1.00 0.00 C ATOM 898 CG PHE A 59 11.825 -2.460 3.514 1.00 0.00 C ATOM 899 CD1 PHE A 59 12.933 -3.189 3.112 1.00 0.00 C ATOM 900 CD2 PHE A 59 11.488 -1.317 2.807 1.00 0.00 C ATOM 901 CE1 PHE A 59 13.687 -2.787 2.027 1.00 0.00 C ATOM 902 CE2 PHE A 59 12.240 -0.910 1.721 1.00 0.00 C ATOM 903 CZ PHE A 59 13.341 -1.647 1.331 1.00 0.00 C ATOM 0 H PHE A 59 10.997 -4.335 2.603 1.00 0.00 H new ATOM 0 HA PHE A 59 9.913 -4.636 5.286 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.491 -2.027 5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.690 -3.249 5.479 1.00 0.00 H new ATOM 0 HD1 PHE A 59 13.210 -4.082 3.653 1.00 0.00 H new ATOM 0 HD2 PHE A 59 10.628 -0.737 3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 59 14.547 -3.365 1.723 1.00 0.00 H new ATOM 0 HE2 PHE A 59 11.967 -0.017 1.178 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.930 -1.332 0.483 1.00 0.00 H new ATOM 913 N CYS A 60 8.089 -3.645 2.942 1.00 0.00 N ATOM 914 CA CYS A 60 6.783 -3.142 2.519 1.00 0.00 C ATOM 915 C CYS A 60 6.513 -3.537 1.072 1.00 0.00 C ATOM 916 O CYS A 60 7.419 -3.985 0.370 1.00 0.00 O ATOM 917 CB CYS A 60 6.703 -1.621 2.673 1.00 0.00 C ATOM 918 SG CYS A 60 8.243 -0.739 2.270 1.00 0.00 S ATOM 0 H CYS A 60 8.558 -4.216 2.239 1.00 0.00 H new ATOM 0 HA CYS A 60 6.023 -3.589 3.160 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.906 -1.245 2.032 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.423 -1.387 3.700 1.00 0.00 H new ATOM 923 N ILE A 61 5.270 -3.379 0.624 1.00 0.00 N ATOM 924 CA ILE A 61 4.917 -3.730 -0.748 1.00 0.00 C ATOM 925 C ILE A 61 3.931 -2.735 -1.361 1.00 0.00 C ATOM 926 O ILE A 61 4.170 -1.528 -1.330 1.00 0.00 O ATOM 927 CB ILE A 61 4.348 -5.162 -0.841 1.00 0.00 C ATOM 928 CG1 ILE A 61 3.268 -5.384 0.218 1.00 0.00 C ATOM 929 CG2 ILE A 61 5.463 -6.184 -0.691 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.757 -6.807 0.274 1.00 0.00 C ATOM 0 H ILE A 61 4.499 -3.015 1.184 1.00 0.00 H new ATOM 0 HA ILE A 61 5.842 -3.686 -1.322 1.00 0.00 H new ATOM 0 HB ILE A 61 3.892 -5.289 -1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.668 -5.112 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.432 -4.714 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.047 -7.189 -0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.197 -6.041 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.946 -6.056 0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.994 -6.889 1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.327 -7.077 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.582 -7.481 0.505 1.00 0.00 H new ATOM 942 N TYR A 62 2.828 -3.249 -1.919 1.00 0.00 N ATOM 943 CA TYR A 62 1.814 -2.416 -2.567 1.00 0.00 C ATOM 944 C TYR A 62 0.807 -3.257 -3.344 1.00 0.00 C ATOM 945 O TYR A 62 1.148 -3.966 -4.291 1.00 0.00 O ATOM 946 CB TYR A 62 2.460 -1.390 -3.497 1.00 0.00 C ATOM 947 CG TYR A 62 1.849 -0.021 -3.337 1.00 0.00 C ATOM 948 CD1 TYR A 62 0.492 0.187 -3.550 1.00 0.00 C ATOM 949 CD2 TYR A 62 2.624 1.056 -2.931 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.076 1.430 -3.357 1.00 0.00 C ATOM 951 CE2 TYR A 62 2.067 2.302 -2.746 1.00 0.00 C ATOM 952 CZ TYR A 62 0.719 2.485 -2.955 1.00 0.00 C ATOM 953 OH TYR A 62 0.164 3.723 -2.739 1.00 0.00 O ATOM 0 H TYR A 62 2.616 -4.247 -1.933 1.00 0.00 H new ATOM 0 HA TYR A 62 1.281 -1.890 -1.776 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.529 -1.336 -3.291 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.350 -1.718 -4.531 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.128 -0.637 -3.872 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.681 0.915 -2.757 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.134 1.576 -3.519 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.686 3.132 -2.438 1.00 0.00 H new ATOM 0 HH TYR A 62 0.863 4.351 -2.460 1.00 0.00 H new ATOM 963 N LYS A 63 -0.444 -3.151 -2.905 1.00 0.00 N ATOM 964 CA LYS A 63 -1.567 -3.861 -3.504 1.00 0.00 C ATOM 965 C LYS A 63 -2.857 -3.153 -3.113 1.00 0.00 C ATOM 966 O LYS A 63 -3.037 -2.780 -1.953 1.00 0.00 O ATOM 967 CB LYS A 63 -1.594 -5.322 -3.043 1.00 0.00 C ATOM 968 CG LYS A 63 -2.094 -5.511 -1.621 1.00 0.00 C ATOM 969 CD LYS A 63 -1.819 -6.916 -1.110 1.00 0.00 C ATOM 970 CE LYS A 63 -0.388 -7.074 -0.641 1.00 0.00 C ATOM 971 NZ LYS A 63 0.085 -8.481 -0.761 1.00 0.00 N ATOM 0 H LYS A 63 -0.708 -2.563 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.461 -3.860 -4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.229 -5.894 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.589 -5.736 -3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.612 -4.785 -0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.165 -5.313 -1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.498 -7.143 -0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.024 -7.637 -1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.260 -6.422 -1.227 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.309 -6.752 0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.947 -8.607 -0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.654 -9.126 -0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.293 -8.694 -1.758 1.00 0.00 H new ATOM 985 N ARG A 64 -3.751 -2.952 -4.072 1.00 0.00 N ATOM 986 CA ARG A 64 -5.007 -2.271 -3.813 1.00 0.00 C ATOM 987 C ARG A 64 -6.187 -3.085 -4.331 1.00 0.00 C ATOM 988 O ARG A 64 -6.009 -4.171 -4.877 1.00 0.00 O ATOM 989 CB ARG A 64 -4.996 -0.888 -4.463 1.00 0.00 C ATOM 990 CG ARG A 64 -4.395 -0.874 -5.857 1.00 0.00 C ATOM 991 CD ARG A 64 -3.208 0.071 -5.933 1.00 0.00 C ATOM 992 NE ARG A 64 -3.593 1.453 -5.660 1.00 0.00 N ATOM 993 CZ ARG A 64 -2.747 2.479 -5.706 1.00 0.00 C ATOM 994 NH1 ARG A 64 -1.475 2.280 -6.024 1.00 0.00 N ATOM 995 NH2 ARG A 64 -3.175 3.704 -5.436 1.00 0.00 N ATOM 0 H ARG A 64 -3.627 -3.253 -5.039 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.119 -2.159 -2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.018 -0.512 -4.514 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.435 -0.202 -3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.080 -1.881 -6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.152 -0.570 -6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.448 -0.242 -5.217 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.757 0.009 -6.924 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.566 1.643 -5.420 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.143 1.339 -6.234 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.829 3.068 -6.059 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.153 3.860 -5.193 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.526 4.490 -5.471 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.389 -2.543 -4.168 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.597 -3.213 -4.610 1.00 0.00 C ATOM 1011 C CYS A 65 -9.289 -2.384 -5.673 1.00 0.00 C ATOM 1012 O CYS A 65 -9.174 -1.158 -5.683 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.544 -3.432 -3.433 1.00 0.00 C ATOM 1014 SG CYS A 65 -9.059 -2.553 -1.913 1.00 0.00 S ATOM 0 H CYS A 65 -7.548 -1.636 -3.730 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.324 -4.182 -5.029 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.545 -3.111 -3.722 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.601 -4.499 -3.220 1.00 0.00 H new ATOM 1019 N ARG A 66 -10.006 -3.045 -6.566 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.708 -2.332 -7.616 1.00 0.00 C ATOM 1021 C ARG A 66 -11.793 -1.454 -7.007 1.00 0.00 C ATOM 1022 O ARG A 66 -12.501 -1.871 -6.094 1.00 0.00 O ATOM 1023 CB ARG A 66 -11.313 -3.303 -8.630 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.857 -2.624 -9.871 1.00 0.00 C ATOM 1025 CD ARG A 66 -13.367 -2.593 -9.847 1.00 0.00 C ATOM 1026 NE ARG A 66 -13.928 -1.997 -11.056 1.00 0.00 N ATOM 1027 CZ ARG A 66 -15.200 -1.633 -11.178 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -16.043 -1.803 -10.168 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -15.633 -1.096 -12.311 1.00 0.00 N ATOM 0 H ARG A 66 -10.116 -4.059 -6.585 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.993 -1.701 -8.144 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.553 -4.027 -8.925 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.116 -3.862 -8.150 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.469 -1.607 -9.935 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -11.514 -3.153 -10.760 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.747 -3.608 -9.735 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.703 -2.029 -8.977 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.308 -1.852 -11.853 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.715 -2.214 -9.294 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.019 -1.522 -10.265 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.989 -0.962 -13.091 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.610 -0.817 -12.403 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.923 -0.244 -7.521 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.919 0.688 -7.010 1.00 0.00 C ATOM 1045 C HIS A 67 -14.316 0.071 -7.097 1.00 0.00 C ATOM 1046 O HIS A 67 -14.762 -0.299 -8.184 1.00 0.00 O ATOM 1047 CB HIS A 67 -12.866 1.996 -7.805 1.00 0.00 C ATOM 1048 CG HIS A 67 -13.770 3.067 -7.279 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -14.120 3.389 -6.011 1.00 0.00 N flip ATOM 1050 CD2 HIS A 67 -14.423 3.966 -8.094 1.00 0.00 C flip ATOM 1051 CE1 HIS A 67 -14.969 4.465 -6.083 1.00 0.00 C flip ATOM 1052 NE2 HIS A 67 -15.135 4.795 -7.351 1.00 0.00 N flip ATOM 0 H HIS A 67 -11.356 0.117 -8.288 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.699 0.902 -5.964 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -11.841 2.368 -7.805 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.130 1.789 -8.842 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -14.362 3.989 -9.172 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -15.427 4.961 -5.240 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -15.714 5.560 -7.698 1.00 0.00 H new ATOM 1061 N PRO A 68 -15.032 -0.053 -5.957 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.380 -0.632 -5.935 1.00 0.00 C ATOM 1063 C PRO A 68 -17.283 0.026 -6.968 1.00 0.00 C ATOM 1064 O PRO A 68 -18.232 -0.588 -7.453 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.878 -0.369 -4.507 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.932 0.638 -3.942 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.613 0.377 -4.615 1.00 0.00 C ATOM 0 HA PRO A 68 -16.381 -1.693 -6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.900 0.009 -4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.878 -1.284 -3.915 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.278 1.653 -4.137 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.848 0.533 -2.860 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.989 1.270 -4.649 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.038 -0.394 -4.101 1.00 0.00 H new ATOM 1075 N GLY A 69 -16.984 1.276 -7.303 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.779 1.981 -8.286 1.00 0.00 C ATOM 1077 C GLY A 69 -18.760 2.956 -7.667 1.00 0.00 C ATOM 1078 O GLY A 69 -18.668 3.308 -6.491 1.00 0.00 O ATOM 0 H GLY A 69 -16.208 1.810 -6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.116 2.521 -8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.327 1.257 -8.889 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.702 3.379 -8.498 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.721 4.326 -8.072 1.00 0.00 C ATOM 1084 C GLU A 70 -21.823 3.620 -7.282 1.00 0.00 C ATOM 1085 O GLU A 70 -22.280 2.539 -7.654 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.312 5.067 -9.273 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.358 6.105 -8.898 1.00 0.00 C ATOM 1088 CD GLU A 70 -21.788 7.231 -8.059 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -21.694 7.064 -6.825 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -21.437 8.282 -8.635 1.00 0.00 O ATOM 0 H GLU A 70 -19.781 3.081 -9.470 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.247 5.058 -7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.506 5.558 -9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.760 4.341 -9.951 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -22.795 6.519 -9.806 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -23.165 5.620 -8.348 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.237 4.252 -6.185 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.303 3.725 -5.338 1.00 0.00 C ATOM 1099 C LEU A 71 -24.613 4.390 -5.735 1.00 0.00 C ATOM 1100 O LEU A 71 -24.891 5.513 -5.313 1.00 0.00 O ATOM 1101 CB LEU A 71 -22.997 4.006 -3.858 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.528 2.977 -2.845 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -23.130 3.377 -1.432 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -25.041 2.830 -2.944 1.00 0.00 C ATOM 0 H LEU A 71 -21.846 5.137 -5.861 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.378 2.646 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -21.916 4.076 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -23.410 4.982 -3.603 1.00 0.00 H new ATOM 0 HG LEU A 71 -23.081 2.011 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -23.512 2.641 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -22.043 3.421 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.550 4.356 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -25.384 2.096 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -25.514 3.791 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -25.309 2.498 -3.947 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.418 3.713 -6.549 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.699 4.279 -6.956 1.00 0.00 C ATOM 1118 C ARG A 72 -27.566 4.483 -5.725 1.00 0.00 C ATOM 1119 O ARG A 72 -27.856 3.545 -4.981 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.403 3.407 -7.996 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.811 3.872 -8.327 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.443 3.011 -9.408 1.00 0.00 C ATOM 1123 NE ARG A 72 -29.550 1.613 -8.999 1.00 0.00 N ATOM 1124 CZ ARG A 72 -29.972 0.640 -9.802 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.321 0.912 -11.052 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -30.044 -0.605 -9.353 1.00 0.00 N ATOM 0 H ARG A 72 -25.212 2.791 -6.933 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.521 5.242 -7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.809 3.395 -8.910 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.445 2.381 -7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.427 3.839 -7.428 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.784 4.910 -8.657 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -30.435 3.396 -9.645 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -28.848 3.078 -10.319 1.00 0.00 H new ATOM 0 HE ARG A 72 -29.286 1.369 -8.044 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.266 1.869 -11.400 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.644 0.164 -11.666 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -29.776 -0.817 -8.392 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -30.368 -1.351 -9.969 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.970 5.736 -5.529 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.736 6.122 -4.361 1.00 0.00 C ATOM 1142 C ASN A 73 -27.857 5.869 -3.152 1.00 0.00 C ATOM 1143 O ASN A 73 -28.293 5.285 -2.162 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.048 5.335 -4.266 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.952 5.570 -5.461 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.883 6.767 -6.031 1.00 0.00 O flip ATOM 1147 ND2 ASN A 73 -31.707 4.686 -5.866 1.00 0.00 N flip ATOM 0 H ASN A 73 -27.774 6.502 -6.173 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.016 7.174 -4.420 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.825 4.271 -4.186 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.574 5.620 -3.355 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.728 3.780 -5.398 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -32.311 4.860 -6.669 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.614 6.338 -3.236 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.681 6.132 -2.154 1.00 0.00 C ATOM 1156 C GLY A 74 -24.349 6.824 -2.380 1.00 0.00 C ATOM 1157 O GLY A 74 -24.133 7.453 -3.416 1.00 0.00 O ATOM 0 H GLY A 74 -26.243 6.854 -4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.122 6.498 -1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.512 5.063 -2.026 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.457 6.704 -1.400 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.141 7.329 -1.491 1.00 0.00 C ATOM 1163 C GLN A 75 -21.040 6.379 -1.022 1.00 0.00 C ATOM 1164 O GLN A 75 -21.190 5.673 -0.024 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.103 8.624 -0.677 1.00 0.00 C ATOM 1166 CG GLN A 75 -23.109 9.665 -1.141 1.00 0.00 C ATOM 1167 CD GLN A 75 -23.025 10.953 -0.344 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -22.282 11.868 -0.699 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -23.787 11.030 0.741 1.00 0.00 N ATOM 0 H GLN A 75 -23.620 6.183 -0.539 1.00 0.00 H new ATOM 0 HA GLN A 75 -21.959 7.566 -2.539 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.292 8.390 0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.101 9.049 -0.733 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -22.941 9.883 -2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -24.115 9.255 -1.057 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -24.388 10.247 0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -23.771 11.872 1.317 1.00 0.00 H new ATOM 1178 N VAL A 76 -19.934 6.376 -1.759 1.00 0.00 N ATOM 1179 CA VAL A 76 -18.803 5.513 -1.426 1.00 0.00 C ATOM 1180 C VAL A 76 -17.661 6.324 -0.824 1.00 0.00 C ATOM 1181 O VAL A 76 -17.023 7.112 -1.522 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.276 4.749 -2.653 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -17.168 3.788 -2.238 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.406 4.005 -3.347 1.00 0.00 C ATOM 0 H VAL A 76 -19.796 6.957 -2.586 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.170 4.790 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 76 -17.862 5.468 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.803 3.253 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.349 4.349 -1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.559 3.073 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -19.013 3.471 -4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -19.853 3.293 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.164 4.717 -3.674 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.401 6.139 0.467 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.316 6.860 1.118 1.00 0.00 C ATOM 1196 C GLU A 77 -14.971 6.367 0.598 1.00 0.00 C ATOM 1197 O GLU A 77 -14.481 5.319 1.015 1.00 0.00 O ATOM 1198 CB GLU A 77 -16.379 6.686 2.635 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.208 7.331 3.361 1.00 0.00 C ATOM 1200 CD GLU A 77 -15.230 8.845 3.273 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -15.963 9.475 4.063 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -14.512 9.399 2.414 1.00 0.00 O ATOM 0 H GLU A 77 -17.920 5.505 1.075 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.425 7.919 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.309 7.116 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.404 5.622 2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.225 7.031 4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.274 6.960 2.939 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.382 7.125 -0.316 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.096 6.761 -0.900 1.00 0.00 C ATOM 1211 C ILE A 78 -12.045 7.825 -0.612 1.00 0.00 C ATOM 1212 O ILE A 78 -12.347 9.018 -0.579 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.209 6.556 -2.425 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.071 5.328 -2.736 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -11.829 6.416 -3.057 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.504 4.028 -2.203 1.00 0.00 C ATOM 0 H ILE A 78 -14.774 7.997 -0.671 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.791 5.821 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.690 7.435 -2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.065 5.479 -2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.191 5.245 -3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.934 6.272 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.248 7.319 -2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.316 5.557 -2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.171 3.206 -2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.522 3.852 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.410 4.089 -1.119 1.00 0.00 H new ATOM 1228 N LYS A 79 -10.810 7.383 -0.404 1.00 0.00 N ATOM 1229 CA LYS A 79 -9.712 8.293 -0.116 1.00 0.00 C ATOM 1230 C LYS A 79 -8.375 7.572 -0.172 1.00 0.00 C ATOM 1231 O LYS A 79 -7.410 8.071 -0.752 1.00 0.00 O ATOM 1232 CB LYS A 79 -9.894 8.936 1.266 1.00 0.00 C ATOM 1233 CG LYS A 79 -9.895 7.950 2.430 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.124 7.052 2.418 1.00 0.00 C ATOM 1235 CE LYS A 79 -11.287 6.310 3.736 1.00 0.00 C ATOM 1236 NZ LYS A 79 -12.391 5.313 3.679 1.00 0.00 N ATOM 0 H LYS A 79 -10.546 6.398 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.719 9.073 -0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.096 9.662 1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.834 9.489 1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.996 7.335 2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.857 8.500 3.370 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.013 7.653 2.226 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.042 6.333 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.354 5.805 3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.485 7.026 4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.999 5.420 4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.955 5.468 2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.991 4.353 3.662 1.00 0.00 H new ATOM 1250 N THR A 80 -8.327 6.397 0.434 1.00 0.00 N ATOM 1251 CA THR A 80 -7.108 5.607 0.480 1.00 0.00 C ATOM 1252 C THR A 80 -6.827 4.888 -0.834 1.00 0.00 C ATOM 1253 O THR A 80 -5.985 3.990 -0.878 1.00 0.00 O ATOM 1254 CB THR A 80 -7.177 4.576 1.615 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.147 3.569 1.306 1.00 0.00 O ATOM 1256 CG2 THR A 80 -7.544 5.257 2.924 1.00 0.00 C ATOM 0 H THR A 80 -9.124 5.967 0.904 1.00 0.00 H new ATOM 0 HA THR A 80 -6.292 6.307 0.660 1.00 0.00 H new ATOM 0 HB THR A 80 -6.198 4.109 1.721 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.183 2.915 2.035 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.589 4.514 3.720 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.790 6.005 3.169 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.516 5.740 2.823 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.528 5.271 -1.904 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.307 4.643 -3.207 1.00 0.00 C ATOM 1266 C ASP A 81 -7.607 3.151 -3.162 1.00 0.00 C ATOM 1267 O ASP A 81 -7.296 2.414 -4.098 1.00 0.00 O ATOM 1268 CB ASP A 81 -5.853 4.827 -3.612 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.503 6.274 -3.896 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.737 6.729 -5.035 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -4.991 6.952 -2.980 1.00 0.00 O ATOM 0 H ASP A 81 -8.241 6.000 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.976 5.116 -3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.209 4.451 -2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.649 4.227 -4.499 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.203 2.723 -2.061 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.529 1.318 -1.849 1.00 0.00 C ATOM 1278 C LEU A 82 -7.244 0.523 -1.685 1.00 0.00 C ATOM 1279 O LEU A 82 -7.002 -0.440 -2.406 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.345 0.760 -3.018 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.782 1.277 -3.137 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.456 1.321 -1.773 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -10.800 2.648 -3.792 1.00 0.00 C ATOM 0 H LEU A 82 -8.474 3.335 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.133 1.232 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.819 0.989 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.376 -0.326 -2.929 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.344 0.588 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.475 1.691 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.478 0.319 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.898 1.985 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.828 3.001 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.221 3.347 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.364 2.581 -4.789 1.00 0.00 H new ATOM 1295 N SER A 83 -6.425 0.925 -0.725 1.00 0.00 N ATOM 1296 CA SER A 83 -5.182 0.222 -0.447 1.00 0.00 C ATOM 1297 C SER A 83 -5.454 -0.916 0.530 1.00 0.00 C ATOM 1298 O SER A 83 -6.057 -0.698 1.581 1.00 0.00 O ATOM 1299 CB SER A 83 -4.145 1.182 0.136 1.00 0.00 C ATOM 1300 OG SER A 83 -4.634 1.812 1.308 1.00 0.00 O ATOM 0 H SER A 83 -6.598 1.733 -0.127 1.00 0.00 H new ATOM 0 HA SER A 83 -4.785 -0.186 -1.377 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.230 0.637 0.367 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.887 1.938 -0.606 1.00 0.00 H new ATOM 0 HG SER A 83 -5.275 1.220 1.755 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.024 -2.127 0.175 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.233 -3.302 1.023 1.00 0.00 C ATOM 1308 C PHE A 84 -5.149 -2.936 2.500 1.00 0.00 C ATOM 1309 O PHE A 84 -4.306 -2.133 2.903 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.204 -4.387 0.700 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.205 -5.527 1.681 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.125 -6.557 1.567 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -3.286 -5.567 2.717 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.129 -7.604 2.470 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -3.285 -6.611 3.621 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.207 -7.631 3.498 1.00 0.00 C ATOM 0 H PHE A 84 -4.528 -2.321 -0.695 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.233 -3.685 0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.401 -4.777 -0.298 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.211 -3.939 0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.847 -6.542 0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.562 -4.772 2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.852 -8.400 2.372 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.563 -6.629 4.424 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.207 -8.448 4.204 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.021 -3.531 3.308 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.032 -3.249 4.727 1.00 0.00 C ATOM 1328 C GLY A 85 -6.827 -2.002 5.056 1.00 0.00 C ATOM 1329 O GLY A 85 -6.530 -1.311 6.032 1.00 0.00 O ATOM 0 H GLY A 85 -6.722 -4.206 3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.455 -4.099 5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.008 -3.129 5.080 1.00 0.00 H new ATOM 1333 N SER A 86 -7.841 -1.706 4.242 1.00 0.00 N ATOM 1334 CA SER A 86 -8.667 -0.524 4.467 1.00 0.00 C ATOM 1335 C SER A 86 -10.154 -0.831 4.390 1.00 0.00 C ATOM 1336 O SER A 86 -10.586 -1.803 3.770 1.00 0.00 O ATOM 1337 CB SER A 86 -8.329 0.583 3.471 1.00 0.00 C ATOM 1338 OG SER A 86 -8.487 0.137 2.136 1.00 0.00 O ATOM 0 H SER A 86 -8.107 -2.263 3.430 1.00 0.00 H new ATOM 0 HA SER A 86 -8.442 -0.185 5.478 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.973 1.444 3.648 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.303 0.915 3.627 1.00 0.00 H new ATOM 0 HG SER A 86 -7.611 0.097 1.699 1.00 0.00 H new ATOM 1344 N GLN A 87 -10.918 0.032 5.040 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.365 -0.092 5.080 1.00 0.00 C ATOM 1346 C GLN A 87 -13.013 1.194 4.564 1.00 0.00 C ATOM 1347 O GLN A 87 -12.604 2.295 4.935 1.00 0.00 O ATOM 1348 CB GLN A 87 -12.819 -0.408 6.512 1.00 0.00 C ATOM 1349 CG GLN A 87 -14.323 -0.354 6.723 1.00 0.00 C ATOM 1350 CD GLN A 87 -14.851 1.064 6.740 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -16.014 1.311 6.423 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -13.986 2.007 7.102 1.00 0.00 N ATOM 0 H GLN A 87 -10.554 0.835 5.553 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.680 -0.911 4.434 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.463 -1.402 6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.344 0.297 7.194 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.819 -0.914 5.930 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.573 -0.844 7.664 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.031 1.753 7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.277 2.984 7.125 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.014 1.050 3.699 1.00 0.00 N ATOM 1362 CA ILE A 88 -14.710 2.205 3.134 1.00 0.00 C ATOM 1363 C ILE A 88 -16.210 2.121 3.397 1.00 0.00 C ATOM 1364 O ILE A 88 -16.928 1.360 2.749 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.457 2.345 1.618 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -14.760 1.035 0.891 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.019 2.774 1.363 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -14.785 1.166 -0.617 1.00 0.00 C ATOM 0 H ILE A 88 -14.361 0.148 3.374 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.308 3.088 3.630 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.127 3.111 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.011 0.294 1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.724 0.657 1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.853 2.869 0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.835 3.734 1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.339 2.026 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.006 0.196 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.553 1.882 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.813 1.514 -0.968 1.00 0.00 H new ATOM 1380 N GLU A 89 -16.676 2.909 4.362 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.090 2.923 4.715 1.00 0.00 C ATOM 1382 C GLU A 89 -18.923 3.426 3.548 1.00 0.00 C ATOM 1383 O GLU A 89 -18.411 4.089 2.647 1.00 0.00 O ATOM 1384 CB GLU A 89 -18.339 3.816 5.935 1.00 0.00 C ATOM 1385 CG GLU A 89 -17.118 4.003 6.817 1.00 0.00 C ATOM 1386 CD GLU A 89 -17.333 5.037 7.904 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -18.044 4.729 8.885 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -16.788 6.153 7.778 1.00 0.00 O ATOM 0 H GLU A 89 -16.096 3.544 4.911 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.383 1.901 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.683 4.793 5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.144 3.385 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.857 3.049 7.275 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.271 4.302 6.199 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.209 3.108 3.568 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.111 3.540 2.514 1.00 0.00 C ATOM 1397 C PHE A 90 -22.168 4.481 3.082 1.00 0.00 C ATOM 1398 O PHE A 90 -22.162 4.778 4.276 1.00 0.00 O ATOM 1399 CB PHE A 90 -21.764 2.330 1.846 1.00 0.00 C ATOM 1400 CG PHE A 90 -20.770 1.366 1.259 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.325 1.512 -0.047 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.279 0.314 2.015 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.411 0.627 -0.586 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.366 -0.574 1.481 1.00 0.00 C ATOM 1405 CZ PHE A 90 -18.932 -0.416 0.178 1.00 0.00 C ATOM 0 H PHE A 90 -20.650 2.553 4.302 1.00 0.00 H new ATOM 0 HA PHE A 90 -20.540 4.079 1.758 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.378 1.807 2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.433 2.676 1.058 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.698 2.327 -0.650 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -20.614 0.187 3.034 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.072 0.752 -1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -18.992 -1.391 2.080 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.218 -1.109 -0.241 1.00 0.00 H new ATOM 1415 N SER A 91 -23.074 4.947 2.231 1.00 0.00 N ATOM 1416 CA SER A 91 -24.114 5.863 2.685 1.00 0.00 C ATOM 1417 C SER A 91 -25.280 5.942 1.710 1.00 0.00 C ATOM 1418 O SER A 91 -25.152 6.452 0.602 1.00 0.00 O ATOM 1419 CB SER A 91 -23.534 7.256 2.920 1.00 0.00 C ATOM 1420 OG SER A 91 -22.468 7.522 2.029 1.00 0.00 O ATOM 0 H SER A 91 -23.111 4.711 1.239 1.00 0.00 H new ATOM 0 HA SER A 91 -24.499 5.467 3.625 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.315 8.005 2.791 1.00 0.00 H new ATOM 0 HB3 SER A 91 -23.181 7.338 3.948 1.00 0.00 H new ATOM 0 HG SER A 91 -21.955 8.291 2.353 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.422 5.444 2.158 1.00 0.00 N ATOM 1427 CA CYS A 92 -27.618 5.468 1.326 1.00 0.00 C ATOM 1428 C CYS A 92 -28.330 6.810 1.482 1.00 0.00 C ATOM 1429 O CYS A 92 -28.722 7.192 2.586 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.550 4.306 1.675 1.00 0.00 C ATOM 1431 SG CYS A 92 -27.917 2.676 1.161 1.00 0.00 S ATOM 0 H CYS A 92 -26.547 5.024 3.079 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.323 5.349 0.283 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -28.717 4.297 2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.518 4.475 1.203 1.00 0.00 H new ATOM 1436 N SER A 93 -28.483 7.521 0.366 1.00 0.00 N ATOM 1437 CA SER A 93 -29.122 8.838 0.366 1.00 0.00 C ATOM 1438 C SER A 93 -30.457 8.838 1.102 1.00 0.00 C ATOM 1439 O SER A 93 -30.992 7.788 1.453 1.00 0.00 O ATOM 1440 CB SER A 93 -29.338 9.326 -1.067 1.00 0.00 C ATOM 1441 OG SER A 93 -28.109 9.669 -1.682 1.00 0.00 O ATOM 0 H SER A 93 -28.172 7.207 -0.553 1.00 0.00 H new ATOM 0 HA SER A 93 -28.448 9.512 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 93 -29.834 8.548 -1.648 1.00 0.00 H new ATOM 0 HB3 SER A 93 -30.000 10.192 -1.063 1.00 0.00 H new ATOM 0 HG SER A 93 -28.276 9.976 -2.598 1.00 0.00 H new ATOM 1447 N GLU A 94 -30.984 10.040 1.320 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.259 10.221 2.004 1.00 0.00 C ATOM 1449 C GLU A 94 -33.316 9.273 1.443 1.00 0.00 C ATOM 1450 O GLU A 94 -33.277 8.899 0.271 1.00 0.00 O ATOM 1451 CB GLU A 94 -32.717 11.674 1.858 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.171 11.903 2.230 1.00 0.00 C ATOM 1453 CD GLU A 94 -34.400 11.911 3.728 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -34.545 10.819 4.314 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -34.436 13.013 4.317 1.00 0.00 O ATOM 0 H GLU A 94 -30.541 10.911 1.029 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.126 9.989 3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.088 12.307 2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -32.562 11.991 0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -34.503 12.853 1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.784 11.124 1.778 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.263 8.897 2.298 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.330 8.004 1.889 1.00 0.00 C ATOM 1464 C GLY A 95 -34.886 6.559 1.800 1.00 0.00 C ATOM 1465 O GLY A 95 -35.657 5.655 2.113 1.00 0.00 O ATOM 0 H GLY A 95 -34.309 9.197 3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.155 8.083 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -35.712 8.322 0.919 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.648 6.330 1.376 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.140 4.971 1.241 1.00 0.00 C ATOM 1471 C PHE A 96 -32.079 4.704 2.304 1.00 0.00 C ATOM 1472 O PHE A 96 -31.129 5.470 2.446 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.536 4.749 -0.150 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.346 5.334 -1.272 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.458 4.669 -1.764 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -32.991 6.547 -1.838 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -35.200 5.205 -2.800 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -33.729 7.087 -2.873 1.00 0.00 C ATOM 1479 CZ PHE A 96 -34.835 6.415 -3.355 1.00 0.00 C ATOM 0 H PHE A 96 -32.983 7.061 1.122 1.00 0.00 H new ATOM 0 HA PHE A 96 -33.974 4.282 1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.536 5.183 -0.174 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.423 3.678 -0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.748 3.722 -1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -32.127 7.077 -1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -36.065 4.677 -3.175 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -33.441 8.034 -3.305 1.00 0.00 H new ATOM 0 HZ PHE A 96 -35.413 6.835 -4.165 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.250 3.621 3.055 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.296 3.270 4.100 1.00 0.00 C ATOM 1491 C PHE A 97 -30.259 2.285 3.583 1.00 0.00 C ATOM 1492 O PHE A 97 -30.393 1.716 2.499 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.016 2.709 5.329 1.00 0.00 C ATOM 1494 CG PHE A 97 -32.817 1.466 5.068 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.078 1.544 4.498 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.317 0.220 5.410 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.826 0.404 4.274 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.059 -0.924 5.187 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.316 -0.832 4.620 1.00 0.00 C ATOM 0 H PHE A 97 -33.034 2.976 2.961 1.00 0.00 H new ATOM 0 HA PHE A 97 -30.775 4.180 4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.277 2.494 6.101 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -32.679 3.477 5.728 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.481 2.508 4.225 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.336 0.142 5.856 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.807 0.479 3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -32.657 -1.890 5.456 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.898 -1.725 4.448 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.223 2.097 4.392 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.126 1.207 4.044 1.00 0.00 C ATOM 1511 C LEU A 98 -28.391 -0.226 4.493 1.00 0.00 C ATOM 1512 O LEU A 98 -28.916 -0.465 5.580 1.00 0.00 O ATOM 1513 CB LEU A 98 -26.828 1.717 4.667 1.00 0.00 C ATOM 1514 CG LEU A 98 -25.563 0.988 4.213 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -25.687 0.543 2.765 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -24.353 1.885 4.390 1.00 0.00 C ATOM 0 H LEU A 98 -29.121 2.553 5.299 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.036 1.200 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -26.722 2.776 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -26.907 1.636 5.751 1.00 0.00 H new ATOM 0 HG LEU A 98 -25.436 0.099 4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -24.776 0.027 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -26.537 -0.132 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -25.838 1.415 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -23.457 1.356 4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -24.479 2.788 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -24.252 2.156 5.441 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.019 -1.174 3.636 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.177 -2.604 3.898 1.00 0.00 C ATOM 1530 C ILE A 99 -27.221 -3.390 3.022 1.00 0.00 C ATOM 1531 O ILE A 99 -27.229 -3.273 1.800 1.00 0.00 O ATOM 1532 CB ILE A 99 -29.596 -3.100 3.572 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -30.532 -1.925 3.334 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.115 -3.992 4.687 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -31.759 -2.275 2.522 1.00 0.00 C ATOM 0 H ILE A 99 -27.595 -0.970 2.731 1.00 0.00 H new ATOM 0 HA ILE A 99 -27.976 -2.754 4.959 1.00 0.00 H new ATOM 0 HB ILE A 99 -29.556 -3.689 2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -30.848 -1.524 4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -29.984 -1.134 2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.120 -4.335 4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -29.456 -4.853 4.801 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.142 -3.430 5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.377 -1.386 2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.454 -2.648 1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.332 -3.044 3.041 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.406 -4.203 3.675 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.420 -5.001 2.975 1.00 0.00 C ATOM 1549 C GLY A 100 -24.027 -4.713 3.478 1.00 0.00 C ATOM 1550 O GLY A 100 -23.119 -4.428 2.696 1.00 0.00 O ATOM 0 H GLY A 100 -26.410 -4.326 4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -25.645 -6.059 3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.473 -4.794 1.906 1.00 0.00 H new ATOM 1554 N SER A 101 -23.866 -4.789 4.791 1.00 0.00 N ATOM 1555 CA SER A 101 -22.586 -4.516 5.427 1.00 0.00 C ATOM 1556 C SER A 101 -22.158 -3.080 5.154 1.00 0.00 C ATOM 1557 O SER A 101 -21.616 -2.776 4.092 1.00 0.00 O ATOM 1558 CB SER A 101 -21.523 -5.493 4.927 1.00 0.00 C ATOM 1559 OG SER A 101 -21.708 -6.782 5.486 1.00 0.00 O ATOM 0 H SER A 101 -24.612 -5.039 5.440 1.00 0.00 H new ATOM 0 HA SER A 101 -22.697 -4.648 6.503 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.566 -5.556 3.840 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.532 -5.120 5.186 1.00 0.00 H new ATOM 0 HG SER A 101 -21.016 -7.388 5.148 1.00 0.00 H new ATOM 1565 N THR A 102 -22.408 -2.197 6.118 1.00 0.00 N ATOM 1566 CA THR A 102 -22.053 -0.791 5.971 1.00 0.00 C ATOM 1567 C THR A 102 -20.550 -0.620 5.881 1.00 0.00 C ATOM 1568 O THR A 102 -20.051 0.489 5.683 1.00 0.00 O ATOM 1569 CB THR A 102 -22.591 0.057 7.141 1.00 0.00 C ATOM 1570 OG1 THR A 102 -21.971 -0.352 8.367 1.00 0.00 O ATOM 1571 CG2 THR A 102 -24.100 -0.082 7.262 1.00 0.00 C ATOM 0 H THR A 102 -22.853 -2.431 7.005 1.00 0.00 H new ATOM 0 HA THR A 102 -22.514 -0.442 5.047 1.00 0.00 H new ATOM 0 HB THR A 102 -22.353 1.102 6.942 1.00 0.00 H new ATOM 0 HG1 THR A 102 -22.316 0.192 9.105 1.00 0.00 H new ATOM 0 HG21 THR A 102 -24.456 0.525 8.094 1.00 0.00 H new ATOM 0 HG22 THR A 102 -24.572 0.255 6.339 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.356 -1.126 7.440 1.00 0.00 H new ATOM 1579 N THR A 103 -19.832 -1.718 6.026 1.00 0.00 N ATOM 1580 CA THR A 103 -18.394 -1.687 5.933 1.00 0.00 C ATOM 1581 C THR A 103 -17.931 -2.544 4.770 1.00 0.00 C ATOM 1582 O THR A 103 -18.649 -3.436 4.318 1.00 0.00 O ATOM 1583 CB THR A 103 -17.735 -2.172 7.225 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.360 -3.378 7.680 1.00 0.00 O ATOM 1585 CG2 THR A 103 -17.821 -1.102 8.302 1.00 0.00 C ATOM 0 H THR A 103 -20.226 -2.641 6.209 1.00 0.00 H new ATOM 0 HA THR A 103 -18.094 -0.652 5.769 1.00 0.00 H new ATOM 0 HB THR A 103 -16.684 -2.376 7.019 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.928 -3.679 8.507 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.347 -1.465 9.214 1.00 0.00 H new ATOM 0 HG22 THR A 103 -17.311 -0.201 7.961 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.867 -0.872 8.504 1.00 0.00 H new ATOM 1593 N SER A 104 -16.732 -2.272 4.287 1.00 0.00 N ATOM 1594 CA SER A 104 -16.150 -3.035 3.201 1.00 0.00 C ATOM 1595 C SER A 104 -14.637 -3.031 3.358 1.00 0.00 C ATOM 1596 O SER A 104 -13.991 -1.991 3.221 1.00 0.00 O ATOM 1597 CB SER A 104 -16.560 -2.452 1.849 1.00 0.00 C ATOM 1598 OG SER A 104 -16.377 -1.052 1.825 1.00 0.00 O ATOM 0 H SER A 104 -16.138 -1.520 4.635 1.00 0.00 H new ATOM 0 HA SER A 104 -16.516 -4.061 3.237 1.00 0.00 H new ATOM 0 HB2 SER A 104 -15.971 -2.913 1.056 1.00 0.00 H new ATOM 0 HB3 SER A 104 -17.605 -2.689 1.648 1.00 0.00 H new ATOM 0 HG SER A 104 -17.209 -0.618 1.542 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.078 -4.197 3.644 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.641 -4.337 3.856 1.00 0.00 C ATOM 1606 C ARG A 105 -11.937 -4.854 2.608 1.00 0.00 C ATOM 1607 O ARG A 105 -12.523 -5.572 1.798 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.375 -5.275 5.034 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.104 -4.870 6.305 1.00 0.00 C ATOM 1610 CD ARG A 105 -12.738 -5.771 7.472 1.00 0.00 C ATOM 1611 NE ARG A 105 -13.075 -7.169 7.215 1.00 0.00 N ATOM 1612 CZ ARG A 105 -12.896 -8.144 8.100 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -12.392 -7.875 9.296 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -13.223 -9.391 7.789 1.00 0.00 N ATOM 0 H ARG A 105 -14.601 -5.068 3.736 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.239 -3.349 4.080 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.675 -6.286 4.759 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.303 -5.303 5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.859 -3.837 6.552 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.180 -4.911 6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -11.670 -5.687 7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.258 -5.432 8.368 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.470 -7.410 6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.140 -6.917 9.540 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.256 -8.626 9.973 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.612 -9.602 6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.085 -10.139 8.469 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.667 -4.490 2.475 1.00 0.00 N ATOM 1629 CA CYS A 106 -9.863 -4.899 1.335 1.00 0.00 C ATOM 1630 C CYS A 106 -9.004 -6.098 1.700 1.00 0.00 C ATOM 1631 O CYS A 106 -8.132 -6.011 2.564 1.00 0.00 O ATOM 1632 CB CYS A 106 -8.975 -3.744 0.873 1.00 0.00 C ATOM 1633 SG CYS A 106 -8.218 -4.000 -0.763 1.00 0.00 S ATOM 0 H CYS A 106 -10.171 -3.908 3.150 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.532 -5.178 0.521 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.569 -2.830 0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.185 -3.591 1.608 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.255 -7.216 1.037 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.530 -8.443 1.311 1.00 0.00 C ATOM 1640 C GLU A 107 -7.759 -8.903 0.078 1.00 0.00 C ATOM 1641 O GLU A 107 -7.803 -8.251 -0.963 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.516 -9.520 1.768 1.00 0.00 C ATOM 1643 CG GLU A 107 -8.868 -10.682 2.501 1.00 0.00 C ATOM 1644 CD GLU A 107 -9.882 -11.677 3.029 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -10.425 -11.445 4.129 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -10.133 -12.689 2.343 1.00 0.00 O ATOM 0 H GLU A 107 -9.958 -7.297 0.303 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.805 -8.261 2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.261 -9.063 2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.047 -9.904 0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.180 -11.193 1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.275 -10.298 3.331 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.031 -10.005 0.215 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.254 -10.535 -0.897 1.00 0.00 C ATOM 1655 C VAL A 108 -6.387 -12.044 -1.063 1.00 0.00 C ATOM 1656 O VAL A 108 -6.269 -12.814 -0.109 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.765 -10.174 -0.767 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -3.919 -10.984 -1.742 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.569 -8.689 -1.006 1.00 0.00 C ATOM 0 H VAL A 108 -6.963 -10.545 1.078 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.672 -10.064 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.439 -10.418 0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.870 -10.709 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.040 -12.047 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.241 -10.776 -2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.512 -8.442 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.914 -8.433 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.141 -8.123 -0.270 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.636 -12.435 -2.306 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.763 -13.838 -2.668 1.00 0.00 C ATOM 1671 C GLN A 109 -5.826 -14.168 -3.824 1.00 0.00 C ATOM 1672 O GLN A 109 -5.678 -13.377 -4.756 1.00 0.00 O ATOM 1673 CB GLN A 109 -8.210 -14.156 -3.049 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.213 -13.784 -1.969 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.649 -13.993 -2.405 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.944 -14.869 -3.218 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.553 -13.181 -1.867 1.00 0.00 N ATOM 0 H GLN A 109 -6.755 -11.791 -3.088 1.00 0.00 H new ATOM 0 HA GLN A 109 -6.487 -14.450 -1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.462 -13.625 -3.967 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.296 -15.221 -3.263 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.018 -14.380 -1.078 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.071 -12.740 -1.691 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.264 -12.469 -1.197 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.536 -13.270 -2.124 1.00 0.00 H new ATOM 1686 N ASP A 110 -5.196 -15.337 -3.756 1.00 0.00 N ATOM 1687 CA ASP A 110 -4.264 -15.769 -4.788 1.00 0.00 C ATOM 1688 C ASP A 110 -3.064 -14.832 -4.862 1.00 0.00 C ATOM 1689 O ASP A 110 -2.035 -15.074 -4.229 1.00 0.00 O ATOM 1690 CB ASP A 110 -4.972 -15.837 -6.139 1.00 0.00 C ATOM 1691 CG ASP A 110 -4.037 -16.211 -7.272 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -3.612 -17.385 -7.327 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -3.732 -15.333 -8.104 1.00 0.00 O ATOM 0 H ASP A 110 -5.316 -16.003 -2.993 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.901 -16.764 -4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -5.780 -16.566 -6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -5.429 -14.871 -6.354 1.00 0.00 H new ATOM 1698 N ARG A 111 -3.203 -13.763 -5.635 1.00 0.00 N ATOM 1699 CA ARG A 111 -2.133 -12.784 -5.786 1.00 0.00 C ATOM 1700 C ARG A 111 -2.628 -11.521 -6.487 1.00 0.00 C ATOM 1701 O ARG A 111 -1.830 -10.718 -6.969 1.00 0.00 O ATOM 1702 CB ARG A 111 -0.966 -13.389 -6.566 1.00 0.00 C ATOM 1703 CG ARG A 111 -1.246 -13.559 -8.051 1.00 0.00 C ATOM 1704 CD ARG A 111 -0.085 -14.233 -8.764 1.00 0.00 C ATOM 1705 NE ARG A 111 -0.353 -14.423 -10.187 1.00 0.00 N ATOM 1706 CZ ARG A 111 0.467 -15.063 -11.013 1.00 0.00 C ATOM 1707 NH1 ARG A 111 1.604 -15.574 -10.561 1.00 0.00 N ATOM 1708 NH2 ARG A 111 0.151 -15.194 -12.294 1.00 0.00 N ATOM 0 H ARG A 111 -4.047 -13.551 -6.168 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.794 -12.507 -4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -0.089 -12.754 -6.441 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -0.719 -14.361 -6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -2.151 -14.152 -8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -1.434 -12.584 -8.501 1.00 0.00 H new ATOM 0 HD2 ARG A 111 0.815 -13.630 -8.642 1.00 0.00 H new ATOM 0 HD3 ARG A 111 0.114 -15.199 -8.300 1.00 0.00 H new ATOM 0 HE ARG A 111 -1.219 -14.043 -10.568 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.851 -15.476 -9.576 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.231 -16.065 -11.198 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.723 -14.803 -12.646 1.00 0.00 H new ATOM 0 HH22 ARG A 111 0.782 -15.686 -12.927 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.944 -11.346 -6.533 1.00 0.00 N ATOM 1723 CA GLY A 112 -4.508 -10.173 -7.176 1.00 0.00 C ATOM 1724 C GLY A 112 -5.483 -9.437 -6.289 1.00 0.00 C ATOM 1725 O GLY A 112 -6.337 -8.696 -6.775 1.00 0.00 O ATOM 0 H GLY A 112 -4.628 -11.992 -6.139 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -3.702 -9.497 -7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.013 -10.474 -8.094 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.325 -9.630 -4.981 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.176 -9.001 -3.966 1.00 0.00 C ATOM 1731 C VAL A 113 -7.662 -9.217 -4.247 1.00 0.00 C ATOM 1732 O VAL A 113 -8.119 -9.164 -5.388 1.00 0.00 O ATOM 1733 CB VAL A 113 -5.865 -7.489 -3.778 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -4.912 -6.984 -4.841 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -7.128 -6.646 -3.755 1.00 0.00 C ATOM 0 H VAL A 113 -4.599 -10.231 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.937 -9.501 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.381 -7.388 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.716 -5.924 -4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.976 -7.539 -4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.357 -7.125 -5.826 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.863 -5.597 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.664 -6.768 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.765 -6.967 -2.931 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.411 -9.458 -3.183 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.825 -9.694 -3.365 1.00 0.00 C ATOM 1747 C GLY A 114 -10.691 -8.669 -2.659 1.00 0.00 C ATOM 1748 O GLY A 114 -10.326 -8.181 -1.590 1.00 0.00 O ATOM 0 H GLY A 114 -8.076 -9.494 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.055 -9.685 -4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.073 -10.689 -2.994 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.839 -8.338 -3.239 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.751 -7.385 -2.621 1.00 0.00 C ATOM 1754 C TRP A 115 -13.813 -8.121 -1.813 1.00 0.00 C ATOM 1755 O TRP A 115 -14.625 -8.863 -2.367 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.424 -6.488 -3.665 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.208 -5.028 -3.408 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.744 -4.101 -4.297 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.436 -4.327 -2.180 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.671 -2.866 -3.694 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -13.091 -2.981 -2.398 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.900 -4.706 -0.918 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -13.192 -2.016 -1.402 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -14.001 -3.746 0.069 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.649 -2.414 -0.177 1.00 0.00 C ATOM 0 H TRP A 115 -12.159 -8.714 -4.132 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.164 -6.750 -1.958 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.039 -6.738 -4.654 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.494 -6.695 -3.678 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.474 -4.307 -5.322 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.355 -2.005 -4.141 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -14.175 -5.731 -0.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.919 -0.988 -1.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -14.358 -4.028 1.049 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.740 -1.687 0.616 1.00 0.00 H new ATOM 1776 N SER A 116 -13.800 -7.912 -0.501 1.00 0.00 N ATOM 1777 CA SER A 116 -14.755 -8.562 0.389 1.00 0.00 C ATOM 1778 C SER A 116 -16.192 -8.331 -0.076 1.00 0.00 C ATOM 1779 O SER A 116 -17.009 -9.252 -0.065 1.00 0.00 O ATOM 1780 CB SER A 116 -14.583 -8.048 1.818 1.00 0.00 C ATOM 1781 OG SER A 116 -13.270 -8.294 2.294 1.00 0.00 O ATOM 0 H SER A 116 -13.137 -7.296 -0.030 1.00 0.00 H new ATOM 0 HA SER A 116 -14.556 -9.633 0.366 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.791 -6.978 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.307 -8.533 2.472 1.00 0.00 H new ATOM 0 HG SER A 116 -12.742 -7.471 2.237 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.492 -7.100 -0.486 1.00 0.00 N ATOM 1788 CA HIS A 117 -17.835 -6.753 -0.946 1.00 0.00 C ATOM 1789 C HIS A 117 -17.888 -5.310 -1.446 1.00 0.00 C ATOM 1790 O HIS A 117 -17.297 -4.417 -0.839 1.00 0.00 O ATOM 1791 CB HIS A 117 -18.841 -6.940 0.192 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.268 -6.750 -0.219 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -21.125 -7.581 -0.860 1.00 0.00 N flip ATOM 1794 CD2 HIS A 117 -20.975 -5.592 0.030 1.00 0.00 C flip ATOM 1795 CE1 HIS A 117 -22.319 -6.916 -0.983 1.00 0.00 C flip ATOM 1796 NE2 HIS A 117 -22.204 -5.719 -0.439 1.00 0.00 N flip ATOM 0 H HIS A 117 -15.825 -6.328 -0.509 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.092 -7.415 -1.773 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.723 -7.941 0.606 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -18.607 -6.235 0.990 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -20.921 -8.524 -1.190 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -20.585 -4.718 0.530 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -23.210 -7.309 -1.450 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.597 -5.062 -2.563 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.735 -3.734 -3.133 1.00 0.00 C ATOM 1807 C PRO A 118 -19.975 -3.016 -2.605 1.00 0.00 C ATOM 1808 O PRO A 118 -20.406 -3.259 -1.478 1.00 0.00 O ATOM 1809 CB PRO A 118 -18.869 -4.020 -4.628 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.413 -5.415 -4.735 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.321 -6.054 -3.367 1.00 0.00 C ATOM 0 HA PRO A 118 -17.900 -3.079 -2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.538 -3.303 -5.104 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -17.904 -3.938 -5.129 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.447 -5.396 -5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -18.845 -5.992 -5.465 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.309 -6.259 -2.954 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.788 -7.004 -3.405 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.538 -2.126 -3.421 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.730 -1.378 -3.043 1.00 0.00 C ATOM 1821 C LEU A 119 -22.781 -2.289 -2.409 1.00 0.00 C ATOM 1822 O LEU A 119 -23.066 -3.371 -2.924 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.338 -0.680 -4.264 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.354 -0.222 -5.347 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.133 0.438 -4.726 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.955 -1.384 -6.245 1.00 0.00 C ATOM 0 H LEU A 119 -20.184 -1.907 -4.352 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.426 -0.631 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -23.059 -1.358 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -22.895 0.191 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.855 0.521 -5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.450 0.754 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.444 1.307 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.628 -0.273 -4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -20.257 -1.033 -7.005 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.479 -2.160 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.843 -1.792 -6.729 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.369 -1.860 -1.279 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.395 -2.627 -0.571 1.00 0.00 C ATOM 1840 C PRO A 120 -25.745 -2.565 -1.284 1.00 0.00 C ATOM 1841 O PRO A 120 -25.824 -2.784 -2.494 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.474 -1.950 0.809 1.00 0.00 C ATOM 1843 CG PRO A 120 -23.357 -0.955 0.840 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.078 -0.600 -0.589 1.00 0.00 C ATOM 0 HA PRO A 120 -24.148 -3.687 -0.514 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.438 -1.460 0.950 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.368 -2.682 1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -23.638 -0.072 1.414 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -22.472 -1.377 1.317 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.714 0.213 -0.939 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.046 -0.283 -0.737 1.00 0.00 H new ATOM 1852 N GLN A 121 -26.809 -2.266 -0.537 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.146 -2.181 -1.113 1.00 0.00 C ATOM 1854 C GLN A 121 -28.917 -1.002 -0.528 1.00 0.00 C ATOM 1855 O GLN A 121 -29.237 -0.987 0.662 1.00 0.00 O ATOM 1856 CB GLN A 121 -28.913 -3.480 -0.855 1.00 0.00 C ATOM 1857 CG GLN A 121 -29.918 -3.822 -1.944 1.00 0.00 C ATOM 1858 CD GLN A 121 -31.081 -2.851 -1.994 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -32.139 -3.157 -1.251 1.00 0.00 O flip ATOM 1860 NE2 GLN A 121 -31.032 -1.839 -2.693 1.00 0.00 N flip ATOM 0 H GLN A 121 -26.768 -2.080 0.465 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.044 -2.029 -2.188 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.201 -4.300 -0.760 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.436 -3.400 0.098 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -29.413 -3.827 -2.910 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -30.299 -4.830 -1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -30.199 -1.643 -3.248 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -31.824 -1.197 -2.717 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.213 -0.014 -1.367 1.00 0.00 N ATOM 1870 CA CYS A 122 -29.955 1.154 -0.909 1.00 0.00 C ATOM 1871 C CYS A 122 -31.428 1.033 -1.281 1.00 0.00 C ATOM 1872 O CYS A 122 -31.788 1.087 -2.458 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.361 2.436 -1.497 1.00 0.00 C ATOM 1874 SG CYS A 122 -27.707 2.845 -0.852 1.00 0.00 S ATOM 0 H CYS A 122 -28.955 0.002 -2.354 1.00 0.00 H new ATOM 0 HA CYS A 122 -29.875 1.204 0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.303 2.334 -2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.037 3.266 -1.290 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.277 0.865 -0.272 1.00 0.00 N ATOM 1880 CA GLU A 123 -33.712 0.724 -0.492 1.00 0.00 C ATOM 1881 C GLU A 123 -34.485 1.697 0.392 1.00 0.00 C ATOM 1882 O GLU A 123 -34.093 1.974 1.525 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.156 -0.711 -0.199 1.00 0.00 C ATOM 1884 CG GLU A 123 -35.621 -0.972 -0.505 1.00 0.00 C ATOM 1885 CD GLU A 123 -35.950 -0.805 -1.975 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -35.761 -1.774 -2.740 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.394 0.297 -2.363 1.00 0.00 O ATOM 0 H GLU A 123 -31.995 0.823 0.707 1.00 0.00 H new ATOM 0 HA GLU A 123 -33.924 0.954 -1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.544 -1.398 -0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -33.968 -0.933 0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -35.879 -1.984 -0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.237 -0.290 0.081 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.584 2.214 -0.146 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.410 3.171 0.579 1.00 0.00 C ATOM 1896 C ILE A 124 -36.937 2.564 1.879 1.00 0.00 C ATOM 1897 O ILE A 124 -37.260 1.377 1.933 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.588 3.658 -0.294 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.331 4.822 0.382 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.536 2.505 -0.600 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -39.402 4.398 1.367 1.00 0.00 C ATOM 0 H ILE A 124 -35.923 1.986 -1.081 1.00 0.00 H new ATOM 0 HA ILE A 124 -35.783 4.028 0.825 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.186 4.027 -1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -37.605 5.447 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -38.789 5.440 -0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.360 2.865 -1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -37.997 1.723 -1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -38.930 2.100 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -39.873 5.283 1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -40.154 3.800 0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -38.950 3.806 2.163 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.010 3.387 2.923 1.00 0.00 N ATOM 1914 CA LEU A 125 -37.490 2.942 4.228 1.00 0.00 C ATOM 1915 C LEU A 125 -38.853 2.262 4.118 1.00 0.00 C ATOM 1916 O LEU A 125 -38.938 1.042 3.980 1.00 0.00 O ATOM 1917 CB LEU A 125 -37.575 4.130 5.192 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.228 4.703 5.645 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.433 6.022 6.374 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -35.499 3.711 6.538 1.00 0.00 C ATOM 0 H LEU A 125 -36.741 4.370 2.889 1.00 0.00 H new ATOM 0 HA LEU A 125 -36.779 2.213 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -38.147 4.925 4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.135 3.821 6.075 1.00 0.00 H new ATOM 0 HG LEU A 125 -35.616 4.885 4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -35.467 6.417 6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -36.916 6.735 5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -37.063 5.860 7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -34.545 4.135 6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.107 3.499 7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -35.323 2.787 5.987 1.00 0.00 H new ATOM 1932 N GLU A 126 -39.916 3.060 4.176 1.00 0.00 N ATOM 1933 CA GLU A 126 -41.275 2.537 4.084 1.00 0.00 C ATOM 1934 C GLU A 126 -42.217 3.571 3.476 1.00 0.00 C ATOM 1935 O GLU A 126 -42.913 3.292 2.498 1.00 0.00 O ATOM 1936 CB GLU A 126 -41.783 2.124 5.467 1.00 0.00 C ATOM 1937 CG GLU A 126 -41.211 0.804 5.959 1.00 0.00 C ATOM 1938 CD GLU A 126 -41.712 -0.382 5.157 1.00 0.00 C ATOM 1939 OE1 GLU A 126 -41.118 -0.679 4.100 1.00 0.00 O ATOM 1940 OE2 GLU A 126 -42.701 -1.013 5.587 1.00 0.00 O ATOM 0 H GLU A 126 -39.862 4.073 4.286 1.00 0.00 H new ATOM 0 HA GLU A 126 -41.254 1.662 3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -41.535 2.907 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -42.870 2.050 5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -40.123 0.841 5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -41.474 0.666 7.008 1.00 0.00 H new ATOM 1947 N HIS A 127 -42.232 4.765 4.059 1.00 0.00 N ATOM 1948 CA HIS A 127 -43.089 5.842 3.576 1.00 0.00 C ATOM 1949 C HIS A 127 -42.401 6.631 2.468 1.00 0.00 C ATOM 1950 O HIS A 127 -41.367 7.262 2.691 1.00 0.00 O ATOM 1951 CB HIS A 127 -43.465 6.776 4.728 1.00 0.00 C ATOM 1952 CG HIS A 127 -44.354 7.909 4.316 1.00 0.00 C ATOM 1953 ND1 HIS A 127 -43.878 9.167 4.013 1.00 0.00 N ATOM 1954 CD2 HIS A 127 -45.698 7.969 4.155 1.00 0.00 C ATOM 1955 CE1 HIS A 127 -44.889 9.952 3.686 1.00 0.00 C ATOM 1956 NE2 HIS A 127 -46.003 9.249 3.764 1.00 0.00 N ATOM 0 H HIS A 127 -41.660 5.012 4.867 1.00 0.00 H new ATOM 0 HA HIS A 127 -43.996 5.396 3.168 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -43.964 6.198 5.505 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -42.554 7.182 5.168 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -46.398 7.161 4.306 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -44.816 10.992 3.403 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -46.940 9.600 3.566 1.00 0.00 H new ATOM 1965 N HIS A 128 -42.982 6.590 1.273 1.00 0.00 N ATOM 1966 CA HIS A 128 -42.431 7.302 0.126 1.00 0.00 C ATOM 1967 C HIS A 128 -43.537 8.011 -0.649 1.00 0.00 C ATOM 1968 O HIS A 128 -44.716 7.689 -0.499 1.00 0.00 O ATOM 1969 CB HIS A 128 -41.686 6.331 -0.793 1.00 0.00 C ATOM 1970 CG HIS A 128 -42.543 5.218 -1.312 1.00 0.00 C ATOM 1971 ND1 HIS A 128 -42.940 5.124 -2.629 1.00 0.00 N ATOM 1972 CD2 HIS A 128 -43.076 4.143 -0.682 1.00 0.00 C ATOM 1973 CE1 HIS A 128 -43.681 4.042 -2.787 1.00 0.00 C ATOM 1974 NE2 HIS A 128 -43.777 3.430 -1.622 1.00 0.00 N ATOM 0 H HIS A 128 -43.836 6.070 1.074 1.00 0.00 H new ATOM 0 HA HIS A 128 -41.729 8.051 0.493 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -41.275 6.886 -1.637 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -40.842 5.905 -0.250 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -42.969 3.894 0.363 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -44.132 3.714 -3.712 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -44.290 2.566 -1.448 1.00 0.00 H new ATOM 1983 N HIS A 129 -43.153 8.979 -1.477 1.00 0.00 N ATOM 1984 CA HIS A 129 -44.120 9.730 -2.269 1.00 0.00 C ATOM 1985 C HIS A 129 -43.516 10.182 -3.596 1.00 0.00 C ATOM 1986 O HIS A 129 -44.148 10.060 -4.646 1.00 0.00 O ATOM 1987 CB HIS A 129 -44.619 10.945 -1.483 1.00 0.00 C ATOM 1988 CG HIS A 129 -45.674 11.730 -2.200 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -45.471 13.011 -2.667 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -46.948 11.410 -2.526 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -46.575 13.445 -3.249 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -47.485 12.492 -3.178 1.00 0.00 N ATOM 0 H HIS A 129 -42.182 9.260 -1.616 1.00 0.00 H new ATOM 0 HA HIS A 129 -44.961 9.070 -2.484 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -45.016 10.610 -0.525 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -43.775 11.600 -1.267 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -47.449 10.477 -2.313 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -46.710 14.415 -3.705 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -48.434 12.550 -3.548 1.00 0.00 H new ATOM 2001 N HIS A 130 -42.295 10.705 -3.540 1.00 0.00 N ATOM 2002 CA HIS A 130 -41.608 11.176 -4.739 1.00 0.00 C ATOM 2003 C HIS A 130 -41.604 10.102 -5.823 1.00 0.00 C ATOM 2004 O HIS A 130 -41.570 8.908 -5.527 1.00 0.00 O ATOM 2005 CB HIS A 130 -40.173 11.588 -4.404 1.00 0.00 C ATOM 2006 CG HIS A 130 -39.345 10.477 -3.835 1.00 0.00 C ATOM 2007 ND1 HIS A 130 -39.118 10.324 -2.484 1.00 0.00 N ATOM 2008 CD2 HIS A 130 -38.687 9.461 -4.442 1.00 0.00 C ATOM 2009 CE1 HIS A 130 -38.356 9.263 -2.284 1.00 0.00 C ATOM 2010 NE2 HIS A 130 -38.081 8.723 -3.457 1.00 0.00 N ATOM 0 H HIS A 130 -41.761 10.814 -2.678 1.00 0.00 H new ATOM 0 HA HIS A 130 -42.147 12.045 -5.117 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -39.691 11.962 -5.307 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -40.198 12.412 -3.691 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -38.647 9.268 -5.504 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -38.016 8.900 -1.325 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -37.510 7.891 -3.607 1.00 0.00 H new ATOM 2019 N HIS A 131 -41.642 10.535 -7.078 1.00 0.00 N ATOM 2020 CA HIS A 131 -41.646 9.609 -8.206 1.00 0.00 C ATOM 2021 C HIS A 131 -40.320 9.656 -8.959 1.00 0.00 C ATOM 2022 O HIS A 131 -39.393 10.362 -8.561 1.00 0.00 O ATOM 2023 CB HIS A 131 -42.799 9.937 -9.158 1.00 0.00 C ATOM 2024 CG HIS A 131 -42.740 11.323 -9.719 1.00 0.00 C ATOM 2025 ND1 HIS A 131 -42.148 11.621 -10.928 1.00 0.00 N ATOM 2026 CD2 HIS A 131 -43.207 12.497 -9.231 1.00 0.00 C ATOM 2027 CE1 HIS A 131 -42.252 12.919 -11.159 1.00 0.00 C ATOM 2028 NE2 HIS A 131 -42.891 13.472 -10.146 1.00 0.00 N ATOM 0 H HIS A 131 -41.670 11.520 -7.341 1.00 0.00 H new ATOM 0 HA HIS A 131 -41.782 8.601 -7.814 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -42.794 9.221 -9.980 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -43.743 9.809 -8.629 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -43.730 12.640 -8.297 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -41.878 13.438 -12.029 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -43.114 14.463 -10.057 1.00 0.00 H new ATOM 2037 N HIS A 132 -40.242 8.900 -10.050 1.00 0.00 N ATOM 2038 CA HIS A 132 -39.032 8.851 -10.864 1.00 0.00 C ATOM 2039 C HIS A 132 -39.380 8.673 -12.339 1.00 0.00 C ATOM 2040 O HIS A 132 -39.435 9.691 -13.061 1.00 0.00 O ATOM 2041 CB HIS A 132 -38.125 7.711 -10.395 1.00 0.00 C ATOM 2042 CG HIS A 132 -36.906 7.522 -11.245 1.00 0.00 C ATOM 2043 ND1 HIS A 132 -36.809 6.546 -12.213 1.00 0.00 N ATOM 2044 CD2 HIS A 132 -35.727 8.190 -11.266 1.00 0.00 C ATOM 2045 CE1 HIS A 132 -35.624 6.620 -12.793 1.00 0.00 C ATOM 2046 NE2 HIS A 132 -34.949 7.609 -12.238 1.00 0.00 N ATOM 2047 OXT HIS A 132 -39.598 7.516 -12.760 1.00 0.00 O ATOM 0 H HIS A 132 -41.003 8.313 -10.391 1.00 0.00 H new ATOM 0 HA HIS A 132 -38.502 9.796 -10.747 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -37.815 7.905 -9.368 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -38.698 6.784 -10.385 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -35.451 9.023 -10.637 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -35.268 5.980 -13.587 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -34.003 7.896 -12.490 1.00 0.00 H new TER 2056 HIS A 132