USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 799 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 82 MET CE :methyl 178:sc= -5.26! (180deg=-3.9!) USER MOD Set 1.2: A 84 THR OG1 : rot -150:sc= -1.11 USER MOD Set 2.1: A 53 TYR OH : rot -140:sc= 0.825 USER MOD Set 2.2: A 106 GLN : amide:sc= -6.73! C(o=-5.9!,f=-13!) USER MOD Single : A 11 CYS SG : rot -60:sc= -3.9! USER MOD Single : A 12 HIS : no HD1:sc= -0.0199 X(o=-0.02,f=-0.18) USER MOD Single : A 13 ASN :FLIP amide:sc= -3.95! C(o=-10!,f=-4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -1.83 K(o=-1.8,f=-2.6) USER MOD Single : A 21 MET CE :methyl -159:sc= -5.38! (180deg=-6.65!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= -0.0115 (180deg=-0.313) USER MOD Single : A 77 TYR OH : rot -158:sc= -0.11 USER MOD Single : A 78 ASN : amide:sc= -0.427 X(o=-0.43,f=-0.02) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.14 F(o=-0.74,f=-0.14) USER MOD Single : A 108 THR OG1 : rot 81:sc= -2.19! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -9.23! C(o=-10!,f=-9.2!) USER MOD ----------------------------------------------------------------- ATOM 53 N GLU A 5 2.558 7.055 -6.359 1.00 2.02 N ATOM 54 CA GLU A 5 1.468 7.128 -7.324 1.00 52.41 C ATOM 55 C GLU A 5 1.345 8.536 -7.901 1.00 23.03 C ATOM 56 O GLU A 5 2.310 9.299 -7.914 1.00 42.05 O ATOM 57 CB GLU A 5 0.148 6.718 -6.668 1.00 71.41 C ATOM 58 CG GLU A 5 0.302 5.629 -5.620 1.00 23.42 C ATOM 59 CD GLU A 5 0.431 4.246 -6.229 1.00 54.03 C ATOM 60 OE1 GLU A 5 1.107 4.117 -7.271 1.00 31.41 O ATOM 61 OE2 GLU A 5 -0.146 3.293 -5.664 1.00 2.23 O ATOM 0 HA GLU A 5 1.691 6.438 -8.138 1.00 52.41 H new ATOM 0 HB2 GLU A 5 -0.306 7.594 -6.205 1.00 71.41 H new ATOM 0 HB3 GLU A 5 -0.540 6.373 -7.440 1.00 71.41 H new ATOM 0 HG2 GLU A 5 1.182 5.837 -5.012 1.00 23.42 H new ATOM 0 HG3 GLU A 5 -0.559 5.649 -4.952 1.00 23.42 H new ATOM 68 N GLY A 6 0.150 8.872 -8.377 1.00 3.42 N ATOM 69 CA GLY A 6 -0.077 10.187 -8.949 1.00 32.41 C ATOM 70 C GLY A 6 -0.418 11.225 -7.899 1.00 1.05 C ATOM 71 O GLY A 6 -1.158 12.171 -8.168 1.00 11.34 O ATOM 0 H GLY A 6 -0.664 8.258 -8.377 1.00 3.42 H new ATOM 0 HA2 GLY A 6 0.814 10.503 -9.491 1.00 32.41 H new ATOM 0 HA3 GLY A 6 -0.888 10.129 -9.675 1.00 32.41 H new ATOM 75 N VAL A 7 0.122 11.048 -6.697 1.00 11.23 N ATOM 76 CA VAL A 7 -0.129 11.977 -5.602 1.00 14.35 C ATOM 77 C VAL A 7 1.122 12.779 -5.263 1.00 2.11 C ATOM 78 O VAL A 7 2.185 12.569 -5.848 1.00 54.14 O ATOM 79 CB VAL A 7 -0.610 11.239 -4.338 1.00 71.22 C ATOM 80 CG1 VAL A 7 -1.459 10.034 -4.714 1.00 64.32 C ATOM 81 CG2 VAL A 7 0.576 10.820 -3.483 1.00 0.03 C ATOM 0 H VAL A 7 0.736 10.270 -6.457 1.00 11.23 H new ATOM 0 HA VAL A 7 -0.913 12.656 -5.938 1.00 14.35 H new ATOM 0 HB VAL A 7 -1.228 11.920 -3.753 1.00 71.22 H new ATOM 0 HG11 VAL A 7 -1.790 9.525 -3.809 1.00 64.32 H new ATOM 0 HG12 VAL A 7 -2.328 10.365 -5.283 1.00 64.32 H new ATOM 0 HG13 VAL A 7 -0.868 9.348 -5.321 1.00 64.32 H new ATOM 0 HG21 VAL A 7 0.218 10.300 -2.594 1.00 0.03 H new ATOM 0 HG22 VAL A 7 1.222 10.155 -4.057 1.00 0.03 H new ATOM 0 HG23 VAL A 7 1.139 11.704 -3.184 1.00 0.03 H new ATOM 91 N VAL A 8 0.990 13.699 -4.313 1.00 12.51 N ATOM 92 CA VAL A 8 2.111 14.533 -3.894 1.00 74.32 C ATOM 93 C VAL A 8 3.345 13.687 -3.601 1.00 52.12 C ATOM 94 O VAL A 8 3.497 13.153 -2.502 1.00 51.12 O ATOM 95 CB VAL A 8 1.759 15.359 -2.643 1.00 30.12 C ATOM 96 CG1 VAL A 8 0.560 16.254 -2.914 1.00 15.35 C ATOM 97 CG2 VAL A 8 1.494 14.443 -1.457 1.00 43.13 C ATOM 0 H VAL A 8 0.118 13.886 -3.819 1.00 12.51 H new ATOM 0 HA VAL A 8 2.327 15.212 -4.719 1.00 74.32 H new ATOM 0 HB VAL A 8 2.609 15.996 -2.398 1.00 30.12 H new ATOM 0 HG11 VAL A 8 0.326 16.830 -2.019 1.00 15.35 H new ATOM 0 HG12 VAL A 8 0.792 16.935 -3.733 1.00 15.35 H new ATOM 0 HG13 VAL A 8 -0.299 15.640 -3.185 1.00 15.35 H new ATOM 0 HG21 VAL A 8 1.247 15.044 -0.582 1.00 43.13 H new ATOM 0 HG22 VAL A 8 0.661 13.779 -1.689 1.00 43.13 H new ATOM 0 HG23 VAL A 8 2.384 13.849 -1.250 1.00 43.13 H new ATOM 107 N ILE A 9 4.224 13.570 -4.591 1.00 15.11 N ATOM 108 CA ILE A 9 5.446 12.791 -4.439 1.00 33.55 C ATOM 109 C ILE A 9 6.100 13.053 -3.086 1.00 61.14 C ATOM 110 O ILE A 9 5.733 13.991 -2.380 1.00 3.14 O ATOM 111 CB ILE A 9 6.458 13.106 -5.556 1.00 33.12 C ATOM 112 CG1 ILE A 9 5.780 13.026 -6.925 1.00 71.02 C ATOM 113 CG2 ILE A 9 7.638 12.149 -5.486 1.00 45.15 C ATOM 114 CD1 ILE A 9 5.018 11.738 -7.148 1.00 43.22 C ATOM 0 H ILE A 9 4.112 14.005 -5.507 1.00 15.11 H new ATOM 0 HA ILE A 9 5.161 11.741 -4.505 1.00 33.55 H new ATOM 0 HB ILE A 9 6.830 14.121 -5.415 1.00 33.12 H new ATOM 0 HG12 ILE A 9 5.095 13.867 -7.032 1.00 71.02 H new ATOM 0 HG13 ILE A 9 6.537 13.130 -7.703 1.00 71.02 H new ATOM 0 HG21 ILE A 9 8.345 12.384 -6.282 1.00 45.15 H new ATOM 0 HG22 ILE A 9 8.132 12.251 -4.520 1.00 45.15 H new ATOM 0 HG23 ILE A 9 7.284 11.125 -5.606 1.00 45.15 H new ATOM 0 HD11 ILE A 9 4.564 11.751 -8.139 1.00 43.22 H new ATOM 0 HD12 ILE A 9 5.702 10.893 -7.074 1.00 43.22 H new ATOM 0 HD13 ILE A 9 4.238 11.641 -6.392 1.00 43.22 H new ATOM 126 N ALA A 10 7.072 12.218 -2.734 1.00 3.32 N ATOM 127 CA ALA A 10 7.781 12.362 -1.468 1.00 41.13 C ATOM 128 C ALA A 10 9.283 12.174 -1.655 1.00 73.15 C ATOM 129 O ALA A 10 9.876 11.248 -1.101 1.00 34.32 O ATOM 130 CB ALA A 10 7.246 11.369 -0.448 1.00 32.33 C ATOM 0 H ALA A 10 7.387 11.435 -3.307 1.00 3.32 H new ATOM 0 HA ALA A 10 7.611 13.373 -1.098 1.00 41.13 H new ATOM 0 HB1 ALA A 10 7.784 11.488 0.492 1.00 32.33 H new ATOM 0 HB2 ALA A 10 6.184 11.552 -0.284 1.00 32.33 H new ATOM 0 HB3 ALA A 10 7.386 10.354 -0.820 1.00 32.33 H new ATOM 136 N CYS A 11 9.891 13.056 -2.440 1.00 4.21 N ATOM 137 CA CYS A 11 11.325 12.986 -2.701 1.00 73.14 C ATOM 138 C CYS A 11 12.113 12.926 -1.397 1.00 61.12 C ATOM 139 O CYS A 11 11.596 13.259 -0.331 1.00 14.44 O ATOM 140 CB CYS A 11 11.773 14.192 -3.528 1.00 2.35 C ATOM 141 SG CYS A 11 13.513 14.632 -3.307 1.00 42.13 S ATOM 0 H CYS A 11 9.414 13.828 -2.907 1.00 4.21 H new ATOM 0 HA CYS A 11 11.523 12.075 -3.265 1.00 73.14 H new ATOM 0 HB2 CYS A 11 11.593 13.983 -4.583 1.00 2.35 H new ATOM 0 HB3 CYS A 11 11.156 15.050 -3.263 1.00 2.35 H new ATOM 0 HG CYS A 11 13.732 14.924 -2.059 1.00 42.13 H new ATOM 147 N HIS A 12 13.368 12.497 -1.489 1.00 51.04 N ATOM 148 CA HIS A 12 14.228 12.392 -0.316 1.00 61.01 C ATOM 149 C HIS A 12 15.674 12.125 -0.724 1.00 74.54 C ATOM 150 O HIS A 12 16.395 11.393 -0.047 1.00 13.50 O ATOM 151 CB HIS A 12 13.733 11.279 0.608 1.00 74.03 C ATOM 152 CG HIS A 12 13.654 9.939 -0.057 1.00 41.22 C ATOM 153 ND1 HIS A 12 14.646 8.988 0.048 1.00 64.40 N ATOM 154 CD2 HIS A 12 12.693 9.393 -0.838 1.00 54.41 C ATOM 155 CE1 HIS A 12 14.300 7.915 -0.641 1.00 15.01 C ATOM 156 NE2 HIS A 12 13.118 8.135 -1.188 1.00 13.41 N ATOM 0 H HIS A 12 13.812 12.217 -2.364 1.00 51.04 H new ATOM 0 HA HIS A 12 14.189 13.341 0.218 1.00 61.01 H new ATOM 0 HB2 HIS A 12 14.398 11.210 1.469 1.00 74.03 H new ATOM 0 HB3 HIS A 12 12.747 11.545 0.988 1.00 74.03 H new ATOM 0 HD2 HIS A 12 11.764 9.860 -1.131 1.00 54.41 H new ATOM 0 HE1 HIS A 12 14.884 7.012 -0.740 1.00 15.01 H new ATOM 0 HE2 HIS A 12 12.605 7.477 -1.775 1.00 13.41 H new ATOM 164 N ASN A 13 16.089 12.721 -1.837 1.00 4.42 N ATOM 165 CA ASN A 13 17.448 12.546 -2.336 1.00 5.30 C ATOM 166 C ASN A 13 17.670 13.359 -3.608 1.00 12.42 C ATOM 167 O ASN A 13 18.531 13.033 -4.425 1.00 75.43 O ATOM 168 CB ASN A 13 17.727 11.067 -2.608 1.00 64.32 C ATOM 169 CG ASN A 13 17.537 10.702 -4.068 1.00 24.53 C ATOM 170 OD1 ASN A 13 16.538 11.303 -4.703 1.00 33.34 O flip ATOM 171 ND2 ASN A 13 18.281 9.889 -4.618 1.00 31.24 N flip ATOM 0 H ASN A 13 15.504 13.329 -2.410 1.00 4.42 H new ATOM 0 HA ASN A 13 18.138 12.905 -1.572 1.00 5.30 H new ATOM 0 HB2 ASN A 13 18.748 10.831 -2.307 1.00 64.32 H new ATOM 0 HB3 ASN A 13 17.065 10.456 -1.994 1.00 64.32 H new ATOM 0 HD21 ASN A 13 19.037 9.451 -4.091 1.00 31.24 H new ATOM 0 HD22 ASN A 13 18.142 9.654 -5.601 1.00 31.24 H new ATOM 178 N LYS A 14 16.887 14.421 -3.768 1.00 43.23 N ATOM 179 CA LYS A 14 16.998 15.284 -4.939 1.00 35.42 C ATOM 180 C LYS A 14 16.603 14.533 -6.207 1.00 11.03 C ATOM 181 O LYS A 14 15.576 14.826 -6.819 1.00 13.23 O ATOM 182 CB LYS A 14 18.426 15.816 -5.072 1.00 51.45 C ATOM 183 CG LYS A 14 18.836 16.105 -6.506 1.00 71.53 C ATOM 184 CD LYS A 14 19.807 17.271 -6.585 1.00 73.31 C ATOM 185 CE LYS A 14 19.216 18.530 -5.970 1.00 2.13 C ATOM 186 NZ LYS A 14 19.399 19.716 -6.851 1.00 54.34 N ATOM 0 H LYS A 14 16.169 14.705 -3.102 1.00 43.23 H new ATOM 0 HA LYS A 14 16.315 16.123 -4.807 1.00 35.42 H new ATOM 0 HB2 LYS A 14 18.521 16.729 -4.485 1.00 51.45 H new ATOM 0 HB3 LYS A 14 19.117 15.089 -4.645 1.00 51.45 H new ATOM 0 HG2 LYS A 14 19.296 15.217 -6.940 1.00 71.53 H new ATOM 0 HG3 LYS A 14 17.950 16.327 -7.101 1.00 71.53 H new ATOM 0 HD2 LYS A 14 20.731 17.012 -6.069 1.00 73.31 H new ATOM 0 HD3 LYS A 14 20.066 17.460 -7.627 1.00 73.31 H new ATOM 0 HE2 LYS A 14 18.153 18.378 -5.782 1.00 2.13 H new ATOM 0 HE3 LYS A 14 19.687 18.718 -5.005 1.00 2.13 H new ATOM 0 HZ1 LYS A 14 18.983 20.554 -6.396 1.00 54.34 H new ATOM 0 HZ2 LYS A 14 20.414 19.877 -7.010 1.00 54.34 H new ATOM 0 HZ3 LYS A 14 18.928 19.547 -7.763 1.00 54.34 H new ATOM 200 N ASP A 15 17.424 13.564 -6.595 1.00 21.55 N ATOM 201 CA ASP A 15 17.159 12.769 -7.788 1.00 42.04 C ATOM 202 C ASP A 15 15.659 12.628 -8.025 1.00 72.32 C ATOM 203 O ASP A 15 15.197 12.642 -9.166 1.00 3.33 O ATOM 204 CB ASP A 15 17.800 11.386 -7.659 1.00 42.34 C ATOM 205 CG ASP A 15 18.698 11.052 -8.835 1.00 11.44 C ATOM 206 OD1 ASP A 15 19.655 11.814 -9.084 1.00 64.23 O ATOM 207 OD2 ASP A 15 18.442 10.030 -9.505 1.00 43.12 O ATOM 0 H ASP A 15 18.279 13.310 -6.100 1.00 21.55 H new ATOM 0 HA ASP A 15 17.597 13.285 -8.643 1.00 42.04 H new ATOM 0 HB2 ASP A 15 18.381 11.343 -6.738 1.00 42.34 H new ATOM 0 HB3 ASP A 15 17.017 10.632 -7.578 1.00 42.34 H new ATOM 212 N GLU A 16 14.904 12.490 -6.940 1.00 32.13 N ATOM 213 CA GLU A 16 13.456 12.344 -7.031 1.00 32.13 C ATOM 214 C GLU A 16 12.778 13.706 -7.145 1.00 12.21 C ATOM 215 O GLU A 16 11.848 13.885 -7.932 1.00 45.54 O ATOM 216 CB GLU A 16 12.919 11.595 -5.809 1.00 13.50 C ATOM 217 CG GLU A 16 13.878 10.549 -5.266 1.00 55.20 C ATOM 218 CD GLU A 16 13.185 9.245 -4.923 1.00 75.34 C ATOM 219 OE1 GLU A 16 12.042 9.295 -4.422 1.00 32.33 O ATOM 220 OE2 GLU A 16 13.784 8.175 -5.156 1.00 63.43 O ATOM 0 H GLU A 16 15.271 12.476 -5.988 1.00 32.13 H new ATOM 0 HA GLU A 16 13.230 11.769 -7.929 1.00 32.13 H new ATOM 0 HB2 GLU A 16 12.696 12.315 -5.021 1.00 13.50 H new ATOM 0 HB3 GLU A 16 11.979 11.111 -6.074 1.00 13.50 H new ATOM 0 HG2 GLU A 16 14.658 10.359 -6.003 1.00 55.20 H new ATOM 0 HG3 GLU A 16 14.370 10.940 -4.375 1.00 55.20 H new ATOM 227 N PHE A 17 13.249 14.663 -6.353 1.00 1.42 N ATOM 228 CA PHE A 17 12.688 16.009 -6.363 1.00 2.40 C ATOM 229 C PHE A 17 12.636 16.566 -7.783 1.00 1.23 C ATOM 230 O PHE A 17 11.632 17.146 -8.197 1.00 62.12 O ATOM 231 CB PHE A 17 13.515 16.936 -5.470 1.00 3.33 C ATOM 232 CG PHE A 17 14.091 18.116 -6.200 1.00 24.40 C ATOM 233 CD1 PHE A 17 15.252 17.986 -6.946 1.00 75.44 C ATOM 234 CD2 PHE A 17 13.473 19.354 -6.141 1.00 32.15 C ATOM 235 CE1 PHE A 17 15.784 19.069 -7.619 1.00 1.44 C ATOM 236 CE2 PHE A 17 14.001 20.441 -6.811 1.00 55.31 C ATOM 237 CZ PHE A 17 15.157 20.298 -7.552 1.00 3.41 C ATOM 0 H PHE A 17 14.018 14.532 -5.696 1.00 1.42 H new ATOM 0 HA PHE A 17 11.671 15.954 -5.975 1.00 2.40 H new ATOM 0 HB2 PHE A 17 12.888 17.295 -4.653 1.00 3.33 H new ATOM 0 HB3 PHE A 17 14.328 16.365 -5.021 1.00 3.33 H new ATOM 0 HD1 PHE A 17 15.746 17.027 -7.002 1.00 75.44 H new ATOM 0 HD2 PHE A 17 12.567 19.471 -5.564 1.00 32.15 H new ATOM 0 HE1 PHE A 17 16.689 18.955 -8.197 1.00 1.44 H new ATOM 0 HE2 PHE A 17 13.510 21.401 -6.755 1.00 55.31 H new ATOM 0 HZ PHE A 17 15.570 21.146 -8.078 1.00 3.41 H new ATOM 247 N ASP A 18 13.725 16.386 -8.523 1.00 14.15 N ATOM 248 CA ASP A 18 13.804 16.869 -9.896 1.00 41.41 C ATOM 249 C ASP A 18 12.800 16.144 -10.786 1.00 52.23 C ATOM 250 O ASP A 18 12.177 16.750 -11.658 1.00 3.21 O ATOM 251 CB ASP A 18 15.219 16.681 -10.444 1.00 45.24 C ATOM 252 CG ASP A 18 15.943 17.998 -10.643 1.00 43.42 C ATOM 253 OD1 ASP A 18 15.446 19.029 -10.144 1.00 50.33 O ATOM 254 OD2 ASP A 18 17.007 17.999 -11.299 1.00 34.55 O ATOM 0 H ASP A 18 14.565 15.909 -8.195 1.00 14.15 H new ATOM 0 HA ASP A 18 13.561 17.931 -9.896 1.00 41.41 H new ATOM 0 HB2 ASP A 18 15.791 16.056 -9.758 1.00 45.24 H new ATOM 0 HB3 ASP A 18 15.170 16.150 -11.394 1.00 45.24 H new ATOM 259 N ALA A 19 12.648 14.843 -10.561 1.00 44.30 N ATOM 260 CA ALA A 19 11.719 14.036 -11.342 1.00 24.22 C ATOM 261 C ALA A 19 10.377 14.742 -11.500 1.00 43.34 C ATOM 262 O ALA A 19 9.613 14.443 -12.417 1.00 62.43 O ATOM 263 CB ALA A 19 11.528 12.674 -10.691 1.00 15.14 C ATOM 0 H ALA A 19 13.156 14.325 -9.844 1.00 44.30 H new ATOM 0 HA ALA A 19 12.145 13.895 -12.336 1.00 24.22 H new ATOM 0 HB1 ALA A 19 10.832 12.081 -11.285 1.00 15.14 H new ATOM 0 HB2 ALA A 19 12.487 12.159 -10.636 1.00 15.14 H new ATOM 0 HB3 ALA A 19 11.128 12.804 -9.685 1.00 15.14 H new ATOM 269 N GLN A 20 10.098 15.680 -10.601 1.00 54.12 N ATOM 270 CA GLN A 20 8.846 16.428 -10.642 1.00 23.32 C ATOM 271 C GLN A 20 9.077 17.848 -11.149 1.00 33.45 C ATOM 272 O GLN A 20 8.451 18.281 -12.115 1.00 72.14 O ATOM 273 CB GLN A 20 8.206 16.467 -9.253 1.00 72.33 C ATOM 274 CG GLN A 20 7.171 15.375 -9.030 1.00 4.44 C ATOM 275 CD GLN A 20 7.406 14.161 -9.906 1.00 30.55 C ATOM 276 OE1 GLN A 20 6.718 13.961 -10.907 1.00 44.14 O ATOM 277 NE2 GLN A 20 8.381 13.340 -9.532 1.00 2.31 N ATOM 0 H GLN A 20 10.721 15.940 -9.836 1.00 54.12 H new ATOM 0 HA GLN A 20 8.171 15.921 -11.331 1.00 23.32 H new ATOM 0 HB2 GLN A 20 8.988 16.375 -8.499 1.00 72.33 H new ATOM 0 HB3 GLN A 20 7.734 17.439 -9.106 1.00 72.33 H new ATOM 0 HG2 GLN A 20 7.188 15.072 -7.983 1.00 4.44 H new ATOM 0 HG3 GLN A 20 6.177 15.775 -9.230 1.00 4.44 H new ATOM 0 HE21 GLN A 20 8.927 13.544 -8.695 1.00 2.31 H new ATOM 0 HE22 GLN A 20 8.584 12.505 -10.082 1.00 2.31 H new ATOM 286 N MET A 21 9.979 18.567 -10.489 1.00 15.03 N ATOM 287 CA MET A 21 10.292 19.938 -10.874 1.00 13.34 C ATOM 288 C MET A 21 10.516 20.043 -12.379 1.00 24.23 C ATOM 289 O MET A 21 10.356 21.112 -12.969 1.00 31.14 O ATOM 290 CB MET A 21 11.532 20.430 -10.126 1.00 25.14 C ATOM 291 CG MET A 21 11.345 21.784 -9.461 1.00 34.12 C ATOM 292 SD MET A 21 11.105 21.655 -7.678 1.00 40.34 S ATOM 293 CE MET A 21 9.789 20.443 -7.600 1.00 62.53 C ATOM 0 H MET A 21 10.505 18.223 -9.686 1.00 15.03 H new ATOM 0 HA MET A 21 9.443 20.567 -10.607 1.00 13.34 H new ATOM 0 HB2 MET A 21 11.803 19.696 -9.367 1.00 25.14 H new ATOM 0 HB3 MET A 21 12.367 20.490 -10.824 1.00 25.14 H new ATOM 0 HG2 MET A 21 12.217 22.407 -9.662 1.00 34.12 H new ATOM 0 HG3 MET A 21 10.485 22.286 -9.904 1.00 34.12 H new ATOM 0 HE1 MET A 21 9.278 20.522 -6.641 1.00 62.53 H new ATOM 0 HE2 MET A 21 9.078 20.625 -8.406 1.00 62.53 H new ATOM 0 HE3 MET A 21 10.209 19.443 -7.706 1.00 62.53 H new ATOM 303 N THR A 22 10.889 18.926 -12.996 1.00 22.20 N ATOM 304 CA THR A 22 11.137 18.892 -14.432 1.00 4.43 C ATOM 305 C THR A 22 9.870 18.536 -15.200 1.00 41.25 C ATOM 306 O THR A 22 9.715 18.902 -16.366 1.00 13.12 O ATOM 307 CB THR A 22 12.242 17.879 -14.787 1.00 52.35 C ATOM 308 OG1 THR A 22 13.511 18.539 -14.847 1.00 42.33 O ATOM 309 CG2 THR A 22 11.951 17.207 -16.121 1.00 14.23 C ATOM 0 H THR A 22 11.026 18.033 -12.523 1.00 22.20 H new ATOM 0 HA THR A 22 11.464 19.891 -14.721 1.00 4.43 H new ATOM 0 HB THR A 22 12.267 17.115 -14.010 1.00 52.35 H new ATOM 0 HG1 THR A 22 14.208 17.888 -15.071 1.00 42.33 H new ATOM 0 HG21 THR A 22 12.745 16.496 -16.351 1.00 14.23 H new ATOM 0 HG22 THR A 22 10.998 16.681 -16.063 1.00 14.23 H new ATOM 0 HG23 THR A 22 11.902 17.962 -16.906 1.00 14.23 H new ATOM 317 N LYS A 23 8.965 17.821 -14.541 1.00 62.33 N ATOM 318 CA LYS A 23 7.709 17.416 -15.162 1.00 2.15 C ATOM 319 C LYS A 23 6.679 18.539 -15.087 1.00 20.53 C ATOM 320 O LYS A 23 5.479 18.302 -15.222 1.00 11.22 O ATOM 321 CB LYS A 23 7.161 16.160 -14.480 1.00 2.32 C ATOM 322 CG LYS A 23 7.613 14.866 -15.135 1.00 2.55 C ATOM 323 CD LYS A 23 7.438 13.679 -14.203 1.00 14.02 C ATOM 324 CE LYS A 23 8.669 12.787 -14.199 1.00 62.42 C ATOM 325 NZ LYS A 23 8.507 11.614 -15.102 1.00 61.25 N ATOM 0 H LYS A 23 9.078 17.510 -13.576 1.00 62.33 H new ATOM 0 HA LYS A 23 7.905 17.196 -16.211 1.00 2.15 H new ATOM 0 HB2 LYS A 23 7.474 16.158 -13.436 1.00 2.32 H new ATOM 0 HB3 LYS A 23 6.072 16.199 -14.486 1.00 2.32 H new ATOM 0 HG2 LYS A 23 7.041 14.700 -16.048 1.00 2.55 H new ATOM 0 HG3 LYS A 23 8.660 14.951 -15.425 1.00 2.55 H new ATOM 0 HD2 LYS A 23 7.242 14.035 -13.192 1.00 14.02 H new ATOM 0 HD3 LYS A 23 6.568 13.099 -14.511 1.00 14.02 H new ATOM 0 HE2 LYS A 23 9.538 13.367 -14.509 1.00 62.42 H new ATOM 0 HE3 LYS A 23 8.863 12.440 -13.184 1.00 62.42 H new ATOM 0 HZ1 LYS A 23 9.367 11.031 -15.071 1.00 61.25 H new ATOM 0 HZ2 LYS A 23 7.693 11.047 -14.791 1.00 61.25 H new ATOM 0 HZ3 LYS A 23 8.348 11.944 -16.075 1.00 61.25 H new ATOM 339 N ALA A 24 7.156 19.760 -14.872 1.00 42.21 N ATOM 340 CA ALA A 24 6.277 20.919 -14.783 1.00 53.12 C ATOM 341 C ALA A 24 6.615 21.948 -15.857 1.00 15.34 C ATOM 342 O ALA A 24 5.729 22.459 -16.543 1.00 71.51 O ATOM 343 CB ALA A 24 6.369 21.547 -13.400 1.00 74.41 C ATOM 0 H ALA A 24 8.147 19.972 -14.756 1.00 42.21 H new ATOM 0 HA ALA A 24 5.254 20.581 -14.949 1.00 53.12 H new ATOM 0 HB1 ALA A 24 5.707 22.412 -13.348 1.00 74.41 H new ATOM 0 HB2 ALA A 24 6.071 20.816 -12.648 1.00 74.41 H new ATOM 0 HB3 ALA A 24 7.395 21.864 -13.212 1.00 74.41 H new ATOM 349 N LYS A 25 7.901 22.250 -15.996 1.00 51.22 N ATOM 350 CA LYS A 25 8.357 23.218 -16.986 1.00 50.44 C ATOM 351 C LYS A 25 8.020 22.752 -18.399 1.00 15.10 C ATOM 352 O LYS A 25 7.470 23.510 -19.197 1.00 54.12 O ATOM 353 CB LYS A 25 9.866 23.438 -16.857 1.00 50.44 C ATOM 354 CG LYS A 25 10.666 22.149 -16.798 1.00 72.54 C ATOM 355 CD LYS A 25 11.745 22.210 -15.731 1.00 5.31 C ATOM 356 CE LYS A 25 12.404 23.580 -15.683 1.00 42.41 C ATOM 357 NZ LYS A 25 13.858 23.486 -15.374 1.00 50.42 N ATOM 0 H LYS A 25 8.647 21.838 -15.435 1.00 51.22 H new ATOM 0 HA LYS A 25 7.841 24.160 -16.800 1.00 50.44 H new ATOM 0 HB2 LYS A 25 10.212 24.032 -17.703 1.00 50.44 H new ATOM 0 HB3 LYS A 25 10.064 24.020 -15.957 1.00 50.44 H new ATOM 0 HG2 LYS A 25 9.997 21.314 -16.592 1.00 72.54 H new ATOM 0 HG3 LYS A 25 11.124 21.959 -17.769 1.00 72.54 H new ATOM 0 HD2 LYS A 25 11.310 21.980 -14.758 1.00 5.31 H new ATOM 0 HD3 LYS A 25 12.499 21.449 -15.931 1.00 5.31 H new ATOM 0 HE2 LYS A 25 12.268 24.082 -16.641 1.00 42.41 H new ATOM 0 HE3 LYS A 25 11.911 24.194 -14.929 1.00 42.41 H new ATOM 0 HZ1 LYS A 25 14.270 24.440 -15.350 1.00 50.42 H new ATOM 0 HZ2 LYS A 25 13.987 23.030 -14.448 1.00 50.42 H new ATOM 0 HZ3 LYS A 25 14.333 22.922 -16.107 1.00 50.42 H new ATOM 371 N GLU A 26 8.351 21.500 -18.699 1.00 45.33 N ATOM 372 CA GLU A 26 8.082 20.934 -20.016 1.00 2.31 C ATOM 373 C GLU A 26 6.595 20.636 -20.186 1.00 43.02 C ATOM 374 O GLU A 26 6.002 20.951 -21.218 1.00 25.15 O ATOM 375 CB GLU A 26 8.897 19.656 -20.222 1.00 71.42 C ATOM 376 CG GLU A 26 9.071 18.834 -18.956 1.00 73.31 C ATOM 377 CD GLU A 26 8.976 17.342 -19.211 1.00 62.04 C ATOM 378 OE1 GLU A 26 9.831 16.811 -19.950 1.00 60.42 O ATOM 379 OE2 GLU A 26 8.047 16.706 -18.671 1.00 54.14 O ATOM 0 H GLU A 26 8.805 20.859 -18.049 1.00 45.33 H new ATOM 0 HA GLU A 26 8.376 21.668 -20.766 1.00 2.31 H new ATOM 0 HB2 GLU A 26 8.409 19.042 -20.979 1.00 71.42 H new ATOM 0 HB3 GLU A 26 9.880 19.921 -20.611 1.00 71.42 H new ATOM 0 HG2 GLU A 26 10.039 19.062 -18.510 1.00 73.31 H new ATOM 0 HG3 GLU A 26 8.310 19.124 -18.232 1.00 73.31 H new ATOM 386 N ALA A 27 6.000 20.026 -19.167 1.00 13.14 N ATOM 387 CA ALA A 27 4.583 19.686 -19.202 1.00 13.30 C ATOM 388 C ALA A 27 3.720 20.939 -19.316 1.00 65.24 C ATOM 389 O ALA A 27 2.617 20.897 -19.859 1.00 42.41 O ATOM 390 CB ALA A 27 4.200 18.891 -17.963 1.00 34.12 C ATOM 0 H ALA A 27 6.477 19.757 -18.307 1.00 13.14 H new ATOM 0 HA ALA A 27 4.404 19.072 -20.084 1.00 13.30 H new ATOM 0 HB1 ALA A 27 3.139 18.644 -18.003 1.00 34.12 H new ATOM 0 HB2 ALA A 27 4.785 17.972 -17.925 1.00 34.12 H new ATOM 0 HB3 ALA A 27 4.401 19.486 -17.072 1.00 34.12 H new ATOM 396 N GLY A 28 4.231 22.053 -18.800 1.00 63.23 N ATOM 397 CA GLY A 28 3.494 23.301 -18.854 1.00 52.53 C ATOM 398 C GLY A 28 2.547 23.467 -17.682 1.00 71.32 C ATOM 399 O GLY A 28 1.475 24.057 -17.818 1.00 71.34 O ATOM 0 H GLY A 28 5.142 22.113 -18.346 1.00 63.23 H new ATOM 0 HA2 GLY A 28 4.197 24.134 -18.870 1.00 52.53 H new ATOM 0 HA3 GLY A 28 2.927 23.345 -19.784 1.00 52.53 H new ATOM 403 N LYS A 29 2.941 22.943 -16.527 1.00 5.05 N ATOM 404 CA LYS A 29 2.121 23.034 -15.325 1.00 12.32 C ATOM 405 C LYS A 29 2.907 23.656 -14.175 1.00 22.41 C ATOM 406 O LYS A 29 4.130 23.780 -14.242 1.00 1.13 O ATOM 407 CB LYS A 29 1.616 21.647 -14.921 1.00 11.33 C ATOM 408 CG LYS A 29 2.642 20.824 -14.162 1.00 30.31 C ATOM 409 CD LYS A 29 2.779 19.428 -14.746 1.00 34.52 C ATOM 410 CE LYS A 29 1.433 18.874 -15.188 1.00 54.20 C ATOM 411 NZ LYS A 29 1.260 17.450 -14.789 1.00 62.10 N ATOM 0 H LYS A 29 3.825 22.450 -16.398 1.00 5.05 H new ATOM 0 HA LYS A 29 1.267 23.675 -15.546 1.00 12.32 H new ATOM 0 HB2 LYS A 29 0.724 21.760 -14.304 1.00 11.33 H new ATOM 0 HB3 LYS A 29 1.317 21.103 -15.817 1.00 11.33 H new ATOM 0 HG2 LYS A 29 3.608 21.328 -14.191 1.00 30.31 H new ATOM 0 HG3 LYS A 29 2.351 20.754 -13.114 1.00 30.31 H new ATOM 0 HD2 LYS A 29 3.460 19.454 -15.597 1.00 34.52 H new ATOM 0 HD3 LYS A 29 3.221 18.764 -14.003 1.00 34.52 H new ATOM 0 HE2 LYS A 29 0.633 19.473 -14.752 1.00 54.20 H new ATOM 0 HE3 LYS A 29 1.343 18.961 -16.271 1.00 54.20 H new ATOM 0 HZ1 LYS A 29 0.330 17.110 -15.109 1.00 62.10 H new ATOM 0 HZ2 LYS A 29 2.008 16.874 -15.225 1.00 62.10 H new ATOM 0 HZ3 LYS A 29 1.321 17.370 -13.754 1.00 62.10 H new ATOM 425 N VAL A 30 2.197 24.043 -13.120 1.00 25.23 N ATOM 426 CA VAL A 30 2.830 24.649 -11.954 1.00 35.32 C ATOM 427 C VAL A 30 3.458 23.589 -11.057 1.00 22.45 C ATOM 428 O VAL A 30 3.097 22.413 -11.118 1.00 54.43 O ATOM 429 CB VAL A 30 1.819 25.469 -11.130 1.00 71.13 C ATOM 430 CG1 VAL A 30 1.920 25.115 -9.654 1.00 44.24 C ATOM 431 CG2 VAL A 30 2.040 26.958 -11.347 1.00 4.45 C ATOM 0 H VAL A 30 1.184 23.948 -13.049 1.00 25.23 H new ATOM 0 HA VAL A 30 3.609 25.314 -12.326 1.00 35.32 H new ATOM 0 HB VAL A 30 0.813 25.221 -11.469 1.00 71.13 H new ATOM 0 HG11 VAL A 30 1.198 25.704 -9.088 1.00 44.24 H new ATOM 0 HG12 VAL A 30 1.708 24.054 -9.519 1.00 44.24 H new ATOM 0 HG13 VAL A 30 2.926 25.332 -9.296 1.00 44.24 H new ATOM 0 HG21 VAL A 30 1.318 27.523 -10.758 1.00 4.45 H new ATOM 0 HG22 VAL A 30 3.050 27.225 -11.036 1.00 4.45 H new ATOM 0 HG23 VAL A 30 1.911 27.195 -12.403 1.00 4.45 H new ATOM 441 N VAL A 31 4.402 24.012 -10.222 1.00 20.34 N ATOM 442 CA VAL A 31 5.081 23.099 -9.309 1.00 51.23 C ATOM 443 C VAL A 31 4.721 23.403 -7.859 1.00 75.33 C ATOM 444 O VAL A 31 4.474 24.554 -7.498 1.00 71.15 O ATOM 445 CB VAL A 31 6.610 23.176 -9.474 1.00 4.15 C ATOM 446 CG1 VAL A 31 7.308 22.503 -8.301 1.00 50.32 C ATOM 447 CG2 VAL A 31 7.037 22.546 -10.791 1.00 14.30 C ATOM 0 H VAL A 31 4.714 24.981 -10.159 1.00 20.34 H new ATOM 0 HA VAL A 31 4.746 22.093 -9.560 1.00 51.23 H new ATOM 0 HB VAL A 31 6.904 24.226 -9.488 1.00 4.15 H new ATOM 0 HG11 VAL A 31 8.388 22.567 -8.435 1.00 50.32 H new ATOM 0 HG12 VAL A 31 7.027 23.003 -7.374 1.00 50.32 H new ATOM 0 HG13 VAL A 31 7.010 21.456 -8.253 1.00 50.32 H new ATOM 0 HG21 VAL A 31 8.121 22.610 -10.890 1.00 14.30 H new ATOM 0 HG22 VAL A 31 6.732 21.500 -10.810 1.00 14.30 H new ATOM 0 HG23 VAL A 31 6.565 23.077 -11.618 1.00 14.30 H new ATOM 457 N ILE A 32 4.692 22.363 -7.032 1.00 44.05 N ATOM 458 CA ILE A 32 4.364 22.519 -5.621 1.00 32.20 C ATOM 459 C ILE A 32 5.212 21.595 -4.754 1.00 21.12 C ATOM 460 O ILE A 32 4.876 20.426 -4.562 1.00 22.12 O ATOM 461 CB ILE A 32 2.875 22.230 -5.354 1.00 54.45 C ATOM 462 CG1 ILE A 32 1.995 23.080 -6.274 1.00 45.15 C ATOM 463 CG2 ILE A 32 2.536 22.497 -3.895 1.00 64.23 C ATOM 464 CD1 ILE A 32 1.461 22.322 -7.469 1.00 70.31 C ATOM 0 H ILE A 32 4.892 21.404 -7.315 1.00 44.05 H new ATOM 0 HA ILE A 32 4.577 23.556 -5.360 1.00 32.20 H new ATOM 0 HB ILE A 32 2.681 21.178 -5.565 1.00 54.45 H new ATOM 0 HG12 ILE A 32 1.157 23.474 -5.699 1.00 45.15 H new ATOM 0 HG13 ILE A 32 2.571 23.936 -6.625 1.00 45.15 H new ATOM 0 HG21 ILE A 32 1.480 22.288 -3.723 1.00 64.23 H new ATOM 0 HG22 ILE A 32 3.142 21.854 -3.257 1.00 64.23 H new ATOM 0 HG23 ILE A 32 2.743 23.541 -3.659 1.00 64.23 H new ATOM 0 HD11 ILE A 32 0.846 22.986 -8.076 1.00 70.31 H new ATOM 0 HD12 ILE A 32 2.294 21.951 -8.066 1.00 70.31 H new ATOM 0 HD13 ILE A 32 0.857 21.481 -7.127 1.00 70.31 H new ATOM 476 N ILE A 33 6.311 22.128 -4.231 1.00 65.51 N ATOM 477 CA ILE A 33 7.206 21.351 -3.382 1.00 3.44 C ATOM 478 C ILE A 33 6.896 21.577 -1.906 1.00 3.13 C ATOM 479 O ILE A 33 6.903 22.711 -1.426 1.00 25.24 O ATOM 480 CB ILE A 33 8.682 21.707 -3.645 1.00 35.30 C ATOM 481 CG1 ILE A 33 8.858 22.215 -5.077 1.00 45.31 C ATOM 482 CG2 ILE A 33 9.571 20.498 -3.393 1.00 15.25 C ATOM 483 CD1 ILE A 33 8.777 23.721 -5.198 1.00 64.11 C ATOM 0 H ILE A 33 6.603 23.094 -4.380 1.00 65.51 H new ATOM 0 HA ILE A 33 7.044 20.302 -3.629 1.00 3.44 H new ATOM 0 HB ILE A 33 8.978 22.500 -2.959 1.00 35.30 H new ATOM 0 HG12 ILE A 33 9.823 21.879 -5.457 1.00 45.31 H new ATOM 0 HG13 ILE A 33 8.093 21.766 -5.710 1.00 45.31 H new ATOM 0 HG21 ILE A 33 10.611 20.765 -3.583 1.00 15.25 H new ATOM 0 HG22 ILE A 33 9.462 20.176 -2.357 1.00 15.25 H new ATOM 0 HG23 ILE A 33 9.278 19.686 -4.058 1.00 15.25 H new ATOM 0 HD11 ILE A 33 8.910 24.010 -6.240 1.00 64.11 H new ATOM 0 HD12 ILE A 33 7.802 24.062 -4.849 1.00 64.11 H new ATOM 0 HD13 ILE A 33 9.560 24.177 -4.592 1.00 64.11 H new ATOM 495 N ASP A 34 6.626 20.491 -1.191 1.00 21.51 N ATOM 496 CA ASP A 34 6.316 20.569 0.232 1.00 24.10 C ATOM 497 C ASP A 34 7.535 20.203 1.074 1.00 14.22 C ATOM 498 O ASP A 34 7.793 19.028 1.333 1.00 64.53 O ATOM 499 CB ASP A 34 5.148 19.642 0.573 1.00 2.52 C ATOM 500 CG ASP A 34 4.043 19.699 -0.463 1.00 13.24 C ATOM 501 OD1 ASP A 34 3.932 20.732 -1.156 1.00 65.41 O ATOM 502 OD2 ASP A 34 3.287 18.711 -0.579 1.00 42.42 O ATOM 0 H ASP A 34 6.615 19.545 -1.573 1.00 21.51 H new ATOM 0 HA ASP A 34 6.033 21.596 0.462 1.00 24.10 H new ATOM 0 HB2 ASP A 34 5.513 18.618 0.655 1.00 2.52 H new ATOM 0 HB3 ASP A 34 4.743 19.916 1.547 1.00 2.52 H new ATOM 507 N PHE A 35 8.280 21.218 1.499 1.00 64.13 N ATOM 508 CA PHE A 35 9.473 21.003 2.310 1.00 11.21 C ATOM 509 C PHE A 35 9.102 20.477 3.693 1.00 21.43 C ATOM 510 O PHE A 35 7.952 20.116 3.946 1.00 60.52 O ATOM 511 CB PHE A 35 10.266 22.305 2.443 1.00 20.13 C ATOM 512 CG PHE A 35 11.053 22.656 1.213 1.00 22.12 C ATOM 513 CD1 PHE A 35 12.133 21.881 0.821 1.00 32.11 C ATOM 514 CD2 PHE A 35 10.713 23.760 0.449 1.00 44.32 C ATOM 515 CE1 PHE A 35 12.859 22.202 -0.310 1.00 2.20 C ATOM 516 CE2 PHE A 35 11.436 24.086 -0.684 1.00 11.34 C ATOM 517 CZ PHE A 35 12.510 23.305 -1.064 1.00 14.41 C ATOM 0 H PHE A 35 8.079 22.197 1.296 1.00 64.13 H new ATOM 0 HA PHE A 35 10.092 20.258 1.811 1.00 11.21 H new ATOM 0 HB2 PHE A 35 9.577 23.119 2.668 1.00 20.13 H new ATOM 0 HB3 PHE A 35 10.948 22.221 3.289 1.00 20.13 H new ATOM 0 HD1 PHE A 35 12.410 21.017 1.406 1.00 32.11 H new ATOM 0 HD2 PHE A 35 9.874 24.373 0.741 1.00 44.32 H new ATOM 0 HE1 PHE A 35 13.699 21.590 -0.604 1.00 2.20 H new ATOM 0 HE2 PHE A 35 11.161 24.950 -1.271 1.00 11.34 H new ATOM 0 HZ PHE A 35 13.076 23.556 -1.949 1.00 14.41 H new ATOM 527 N THR A 36 10.085 20.435 4.587 1.00 22.23 N ATOM 528 CA THR A 36 9.864 19.951 5.944 1.00 3.12 C ATOM 529 C THR A 36 11.153 19.406 6.550 1.00 35.02 C ATOM 530 O THR A 36 11.894 18.671 5.898 1.00 12.23 O ATOM 531 CB THR A 36 8.788 18.850 5.980 1.00 54.11 C ATOM 532 OG1 THR A 36 8.744 18.250 7.279 1.00 34.22 O ATOM 533 CG2 THR A 36 9.069 17.784 4.932 1.00 22.32 C ATOM 0 H THR A 36 11.042 20.731 4.395 1.00 22.23 H new ATOM 0 HA THR A 36 9.521 20.803 6.531 1.00 3.12 H new ATOM 0 HB THR A 36 7.824 19.308 5.759 1.00 54.11 H new ATOM 0 HG1 THR A 36 8.056 17.552 7.294 1.00 34.22 H new ATOM 0 HG21 THR A 36 8.296 17.017 4.977 1.00 22.32 H new ATOM 0 HG22 THR A 36 9.072 18.239 3.942 1.00 22.32 H new ATOM 0 HG23 THR A 36 10.041 17.331 5.126 1.00 22.32 H new ATOM 629 N ARG A 44 -0.504 14.010 9.099 1.00 42.35 N ATOM 630 CA ARG A 44 -1.546 13.173 9.680 1.00 71.03 C ATOM 631 C ARG A 44 -2.916 13.828 9.530 1.00 72.34 C ATOM 632 O ARG A 44 -3.860 13.211 9.035 1.00 21.31 O ATOM 633 CB ARG A 44 -1.254 12.910 11.158 1.00 2.42 C ATOM 634 CG ARG A 44 -0.072 11.983 11.390 1.00 34.40 C ATOM 635 CD ARG A 44 -0.457 10.798 12.262 1.00 73.43 C ATOM 636 NE ARG A 44 0.583 10.472 13.234 1.00 51.41 N ATOM 637 CZ ARG A 44 0.491 9.471 14.101 1.00 33.34 C ATOM 638 NH1 ARG A 44 -0.588 8.700 14.117 1.00 12.45 N ATOM 639 NH2 ARG A 44 1.480 9.238 14.955 1.00 35.31 N ATOM 0 HA ARG A 44 -1.555 12.224 9.144 1.00 71.03 H new ATOM 0 HB2 ARG A 44 -1.063 13.860 11.656 1.00 2.42 H new ATOM 0 HB3 ARG A 44 -2.140 12.478 11.623 1.00 2.42 H new ATOM 0 HG2 ARG A 44 0.304 11.624 10.432 1.00 34.40 H new ATOM 0 HG3 ARG A 44 0.739 12.537 11.864 1.00 34.40 H new ATOM 0 HD2 ARG A 44 -1.386 11.021 12.787 1.00 73.43 H new ATOM 0 HD3 ARG A 44 -0.648 9.930 11.631 1.00 73.43 H new ATOM 0 HE ARG A 44 1.427 11.045 13.247 1.00 51.41 H new ATOM 0 HH11 ARG A 44 -1.350 8.875 13.462 1.00 12.45 H new ATOM 0 HH12 ARG A 44 -0.656 7.932 14.784 1.00 12.45 H new ATOM 0 HH21 ARG A 44 2.312 9.828 14.946 1.00 35.31 H new ATOM 0 HH22 ARG A 44 1.408 8.469 15.621 1.00 35.31 H new ATOM 653 N PHE A 45 -3.018 15.081 9.960 1.00 22.22 N ATOM 654 CA PHE A 45 -4.273 15.819 9.875 1.00 24.02 C ATOM 655 C PHE A 45 -4.532 16.288 8.446 1.00 31.25 C ATOM 656 O PHE A 45 -5.654 16.198 7.947 1.00 61.23 O ATOM 657 CB PHE A 45 -4.247 17.021 10.822 1.00 62.13 C ATOM 658 CG PHE A 45 -5.417 17.946 10.648 1.00 73.01 C ATOM 659 CD1 PHE A 45 -5.441 18.868 9.614 1.00 11.00 C ATOM 660 CD2 PHE A 45 -6.494 17.894 11.519 1.00 64.21 C ATOM 661 CE1 PHE A 45 -6.517 19.720 9.451 1.00 1.50 C ATOM 662 CE2 PHE A 45 -7.572 18.743 11.361 1.00 52.33 C ATOM 663 CZ PHE A 45 -7.583 19.659 10.326 1.00 34.43 C ATOM 0 H PHE A 45 -2.247 15.607 10.371 1.00 22.22 H new ATOM 0 HA PHE A 45 -5.081 15.150 10.171 1.00 24.02 H new ATOM 0 HB2 PHE A 45 -4.227 16.662 11.851 1.00 62.13 H new ATOM 0 HB3 PHE A 45 -3.325 17.580 10.662 1.00 62.13 H new ATOM 0 HD1 PHE A 45 -4.609 18.922 8.927 1.00 11.00 H new ATOM 0 HD2 PHE A 45 -6.490 17.181 12.331 1.00 64.21 H new ATOM 0 HE1 PHE A 45 -6.524 20.433 8.640 1.00 1.50 H new ATOM 0 HE2 PHE A 45 -8.406 18.691 12.046 1.00 52.33 H new ATOM 0 HZ PHE A 45 -8.424 20.326 10.202 1.00 34.43 H new ATOM 673 N ILE A 46 -3.488 16.789 7.796 1.00 65.43 N ATOM 674 CA ILE A 46 -3.602 17.271 6.425 1.00 2.20 C ATOM 675 C ILE A 46 -2.978 16.287 5.442 1.00 62.42 C ATOM 676 O ILE A 46 -2.817 16.591 4.260 1.00 2.45 O ATOM 677 CB ILE A 46 -2.929 18.646 6.254 1.00 21.02 C ATOM 678 CG1 ILE A 46 -3.559 19.405 5.085 1.00 75.11 C ATOM 679 CG2 ILE A 46 -1.432 18.480 6.039 1.00 20.05 C ATOM 680 CD1 ILE A 46 -3.473 20.909 5.223 1.00 23.34 C ATOM 0 H ILE A 46 -2.553 16.872 8.196 1.00 65.43 H new ATOM 0 HA ILE A 46 -4.667 17.367 6.212 1.00 2.20 H new ATOM 0 HB ILE A 46 -3.084 19.225 7.164 1.00 21.02 H new ATOM 0 HG12 ILE A 46 -3.067 19.105 4.160 1.00 75.11 H new ATOM 0 HG13 ILE A 46 -4.606 19.116 4.997 1.00 75.11 H new ATOM 0 HG21 ILE A 46 -0.971 19.460 5.920 1.00 20.05 H new ATOM 0 HG22 ILE A 46 -0.994 17.975 6.900 1.00 20.05 H new ATOM 0 HG23 ILE A 46 -1.257 17.885 5.143 1.00 20.05 H new ATOM 0 HD11 ILE A 46 -3.940 21.381 4.358 1.00 23.34 H new ATOM 0 HD12 ILE A 46 -3.990 21.221 6.130 1.00 23.34 H new ATOM 0 HD13 ILE A 46 -2.427 21.210 5.280 1.00 23.34 H new ATOM 692 N ALA A 47 -2.630 15.104 5.938 1.00 63.21 N ATOM 693 CA ALA A 47 -2.027 14.073 5.103 1.00 70.55 C ATOM 694 C ALA A 47 -2.919 13.740 3.911 1.00 11.22 C ATOM 695 O ALA A 47 -2.502 13.807 2.755 1.00 41.02 O ATOM 696 CB ALA A 47 -1.753 12.822 5.924 1.00 24.40 C ATOM 0 H ALA A 47 -2.756 14.836 6.914 1.00 63.21 H new ATOM 0 HA ALA A 47 -1.082 14.458 4.720 1.00 70.55 H new ATOM 0 HB1 ALA A 47 -1.303 12.060 5.287 1.00 24.40 H new ATOM 0 HB2 ALA A 47 -1.071 13.064 6.739 1.00 24.40 H new ATOM 0 HB3 ALA A 47 -2.689 12.444 6.335 1.00 24.40 H new ATOM 702 N PRO A 48 -4.177 13.373 4.197 1.00 21.42 N ATOM 703 CA PRO A 48 -5.154 13.022 3.162 1.00 0.21 C ATOM 704 C PRO A 48 -5.590 14.232 2.343 1.00 1.30 C ATOM 705 O PRO A 48 -6.467 14.131 1.485 1.00 31.23 O ATOM 706 CB PRO A 48 -6.334 12.465 3.962 1.00 20.02 C ATOM 707 CG PRO A 48 -6.215 13.100 5.304 1.00 15.54 C ATOM 708 CD PRO A 48 -4.742 13.271 5.553 1.00 13.11 C ATOM 0 HA PRO A 48 -4.744 12.320 2.436 1.00 0.21 H new ATOM 0 HB2 PRO A 48 -7.285 12.713 3.490 1.00 20.02 H new ATOM 0 HB3 PRO A 48 -6.287 11.378 4.033 1.00 20.02 H new ATOM 0 HG2 PRO A 48 -6.729 14.061 5.328 1.00 15.54 H new ATOM 0 HG3 PRO A 48 -6.671 12.476 6.073 1.00 15.54 H new ATOM 0 HD2 PRO A 48 -4.535 14.164 6.143 1.00 13.11 H new ATOM 0 HD3 PRO A 48 -4.326 12.425 6.099 1.00 13.11 H new ATOM 716 N VAL A 49 -4.971 15.378 2.613 1.00 72.45 N ATOM 717 CA VAL A 49 -5.294 16.607 1.899 1.00 14.41 C ATOM 718 C VAL A 49 -4.282 16.883 0.793 1.00 10.41 C ATOM 719 O VAL A 49 -4.653 17.176 -0.344 1.00 1.32 O ATOM 720 CB VAL A 49 -5.337 17.815 2.854 1.00 53.42 C ATOM 721 CG1 VAL A 49 -5.080 19.107 2.093 1.00 41.02 C ATOM 722 CG2 VAL A 49 -6.672 17.872 3.581 1.00 53.22 C ATOM 0 H VAL A 49 -4.244 15.480 3.321 1.00 72.45 H new ATOM 0 HA VAL A 49 -6.280 16.467 1.457 1.00 14.41 H new ATOM 0 HB VAL A 49 -4.549 17.696 3.598 1.00 53.42 H new ATOM 0 HG11 VAL A 49 -5.114 19.949 2.784 1.00 41.02 H new ATOM 0 HG12 VAL A 49 -4.098 19.063 1.623 1.00 41.02 H new ATOM 0 HG13 VAL A 49 -5.844 19.236 1.326 1.00 41.02 H new ATOM 0 HG21 VAL A 49 -6.685 18.731 4.251 1.00 53.22 H new ATOM 0 HG22 VAL A 49 -7.478 17.967 2.854 1.00 53.22 H new ATOM 0 HG23 VAL A 49 -6.811 16.959 4.159 1.00 53.22 H new ATOM 732 N PHE A 50 -3.001 16.787 1.134 1.00 51.44 N ATOM 733 CA PHE A 50 -1.934 17.027 0.169 1.00 3.14 C ATOM 734 C PHE A 50 -1.963 15.985 -0.944 1.00 63.44 C ATOM 735 O PHE A 50 -2.329 16.285 -2.080 1.00 61.54 O ATOM 736 CB PHE A 50 -0.572 17.006 0.868 1.00 75.02 C ATOM 737 CG PHE A 50 -0.443 18.029 1.960 1.00 33.54 C ATOM 738 CD1 PHE A 50 -1.346 19.076 2.058 1.00 65.53 C ATOM 739 CD2 PHE A 50 0.581 17.943 2.890 1.00 73.11 C ATOM 740 CE1 PHE A 50 -1.230 20.018 3.062 1.00 2.01 C ATOM 741 CE2 PHE A 50 0.701 18.882 3.897 1.00 42.03 C ATOM 742 CZ PHE A 50 -0.204 19.922 3.982 1.00 34.52 C ATOM 0 H PHE A 50 -2.677 16.545 2.070 1.00 51.44 H new ATOM 0 HA PHE A 50 -2.093 18.010 -0.274 1.00 3.14 H new ATOM 0 HB2 PHE A 50 -0.403 16.014 1.288 1.00 75.02 H new ATOM 0 HB3 PHE A 50 0.210 17.176 0.128 1.00 75.02 H new ATOM 0 HD1 PHE A 50 -2.150 19.156 1.341 1.00 65.53 H new ATOM 0 HD2 PHE A 50 1.293 17.133 2.827 1.00 73.11 H new ATOM 0 HE1 PHE A 50 -1.941 20.829 3.127 1.00 2.01 H new ATOM 0 HE2 PHE A 50 1.502 18.803 4.617 1.00 42.03 H new ATOM 0 HZ PHE A 50 -0.110 20.659 4.766 1.00 34.52 H new ATOM 752 N ALA A 51 -1.573 14.759 -0.610 1.00 33.23 N ATOM 753 CA ALA A 51 -1.556 13.671 -1.580 1.00 3.20 C ATOM 754 C ALA A 51 -2.833 13.657 -2.412 1.00 54.32 C ATOM 755 O ALA A 51 -2.784 13.587 -3.640 1.00 10.33 O ATOM 756 CB ALA A 51 -1.369 12.337 -0.873 1.00 71.35 C ATOM 0 H ALA A 51 -1.264 14.494 0.326 1.00 33.23 H new ATOM 0 HA ALA A 51 -0.716 13.833 -2.256 1.00 3.20 H new ATOM 0 HB1 ALA A 51 -1.358 11.533 -1.609 1.00 71.35 H new ATOM 0 HB2 ALA A 51 -0.425 12.343 -0.329 1.00 71.35 H new ATOM 0 HB3 ALA A 51 -2.190 12.178 -0.174 1.00 71.35 H new ATOM 762 N GLU A 52 -3.976 13.724 -1.736 1.00 22.44 N ATOM 763 CA GLU A 52 -5.266 13.717 -2.414 1.00 73.13 C ATOM 764 C GLU A 52 -5.411 14.936 -3.321 1.00 65.20 C ATOM 765 O GLU A 52 -6.058 14.872 -4.366 1.00 40.24 O ATOM 766 CB GLU A 52 -6.405 13.690 -1.392 1.00 41.24 C ATOM 767 CG GLU A 52 -6.984 15.062 -1.090 1.00 41.14 C ATOM 768 CD GLU A 52 -8.200 14.996 -0.188 1.00 14.05 C ATOM 769 OE1 GLU A 52 -9.114 14.197 -0.482 1.00 54.52 O ATOM 770 OE2 GLU A 52 -8.239 15.742 0.813 1.00 41.32 O ATOM 0 H GLU A 52 -4.034 13.784 -0.719 1.00 22.44 H new ATOM 0 HA GLU A 52 -5.319 12.819 -3.030 1.00 73.13 H new ATOM 0 HB2 GLU A 52 -7.200 13.043 -1.763 1.00 41.24 H new ATOM 0 HB3 GLU A 52 -6.040 13.247 -0.465 1.00 41.24 H new ATOM 0 HG2 GLU A 52 -6.219 15.679 -0.618 1.00 41.14 H new ATOM 0 HG3 GLU A 52 -7.256 15.551 -2.025 1.00 41.14 H new ATOM 777 N TYR A 53 -4.803 16.044 -2.913 1.00 14.43 N ATOM 778 CA TYR A 53 -4.866 17.279 -3.686 1.00 10.13 C ATOM 779 C TYR A 53 -4.032 17.168 -4.959 1.00 35.14 C ATOM 780 O TYR A 53 -4.473 17.561 -6.038 1.00 63.04 O ATOM 781 CB TYR A 53 -4.376 18.458 -2.843 1.00 51.23 C ATOM 782 CG TYR A 53 -5.439 19.040 -1.939 1.00 74.32 C ATOM 783 CD1 TYR A 53 -6.643 18.376 -1.733 1.00 4.42 C ATOM 784 CD2 TYR A 53 -5.240 20.252 -1.291 1.00 12.35 C ATOM 785 CE1 TYR A 53 -7.617 18.905 -0.908 1.00 70.52 C ATOM 786 CE2 TYR A 53 -6.208 20.787 -0.463 1.00 15.20 C ATOM 787 CZ TYR A 53 -7.395 20.110 -0.275 1.00 73.14 C ATOM 788 OH TYR A 53 -8.363 20.639 0.548 1.00 61.51 O ATOM 0 H TYR A 53 -4.261 16.113 -2.052 1.00 14.43 H new ATOM 0 HA TYR A 53 -5.905 17.449 -3.968 1.00 10.13 H new ATOM 0 HB2 TYR A 53 -3.532 18.133 -2.235 1.00 51.23 H new ATOM 0 HB3 TYR A 53 -4.008 19.240 -3.507 1.00 51.23 H new ATOM 0 HD1 TYR A 53 -6.820 17.431 -2.226 1.00 4.42 H new ATOM 0 HD2 TYR A 53 -4.312 20.786 -1.437 1.00 12.35 H new ATOM 0 HE1 TYR A 53 -8.548 18.377 -0.760 1.00 70.52 H new ATOM 0 HE2 TYR A 53 -6.036 21.730 0.034 1.00 15.20 H new ATOM 0 HH TYR A 53 -8.413 21.608 0.413 1.00 61.51 H new ATOM 798 N ALA A 54 -2.826 16.629 -4.822 1.00 65.54 N ATOM 799 CA ALA A 54 -1.930 16.462 -5.961 1.00 13.24 C ATOM 800 C ALA A 54 -2.687 15.959 -7.185 1.00 62.02 C ATOM 801 O ALA A 54 -2.474 16.437 -8.300 1.00 1.35 O ATOM 802 CB ALA A 54 -0.799 15.508 -5.607 1.00 73.34 C ATOM 0 H ALA A 54 -2.446 16.300 -3.934 1.00 65.54 H new ATOM 0 HA ALA A 54 -1.505 17.436 -6.204 1.00 13.24 H new ATOM 0 HB1 ALA A 54 -0.138 15.393 -6.466 1.00 73.34 H new ATOM 0 HB2 ALA A 54 -0.234 15.910 -4.766 1.00 73.34 H new ATOM 0 HB3 ALA A 54 -1.214 14.537 -5.335 1.00 73.34 H new ATOM 808 N LYS A 55 -3.571 14.990 -6.972 1.00 1.32 N ATOM 809 CA LYS A 55 -4.360 14.421 -8.058 1.00 14.53 C ATOM 810 C LYS A 55 -5.517 15.344 -8.431 1.00 23.33 C ATOM 811 O LYS A 55 -5.825 15.525 -9.609 1.00 4.42 O ATOM 812 CB LYS A 55 -4.900 13.046 -7.658 1.00 5.23 C ATOM 813 CG LYS A 55 -3.840 12.121 -7.085 1.00 32.24 C ATOM 814 CD LYS A 55 -4.461 11.005 -6.261 1.00 70.11 C ATOM 815 CE LYS A 55 -5.367 10.125 -7.108 1.00 60.44 C ATOM 816 NZ LYS A 55 -4.651 8.924 -7.623 1.00 0.53 N ATOM 0 H LYS A 55 -3.759 14.582 -6.056 1.00 1.32 H new ATOM 0 HA LYS A 55 -3.711 14.311 -8.926 1.00 14.53 H new ATOM 0 HB2 LYS A 55 -5.693 13.176 -6.922 1.00 5.23 H new ATOM 0 HB3 LYS A 55 -5.350 12.573 -8.531 1.00 5.23 H new ATOM 0 HG2 LYS A 55 -3.253 11.692 -7.897 1.00 32.24 H new ATOM 0 HG3 LYS A 55 -3.153 12.695 -6.463 1.00 32.24 H new ATOM 0 HD2 LYS A 55 -3.673 10.397 -5.817 1.00 70.11 H new ATOM 0 HD3 LYS A 55 -5.034 11.434 -5.439 1.00 70.11 H new ATOM 0 HE2 LYS A 55 -6.225 9.809 -6.514 1.00 60.44 H new ATOM 0 HE3 LYS A 55 -5.755 10.704 -7.946 1.00 60.44 H new ATOM 0 HZ1 LYS A 55 -5.303 8.350 -8.195 1.00 0.53 H new ATOM 0 HZ2 LYS A 55 -3.847 9.224 -8.210 1.00 0.53 H new ATOM 0 HZ3 LYS A 55 -4.303 8.358 -6.823 1.00 0.53 H new ATOM 830 N LYS A 56 -6.153 15.925 -7.420 1.00 14.32 N ATOM 831 CA LYS A 56 -7.274 16.831 -7.641 1.00 11.44 C ATOM 832 C LYS A 56 -6.872 17.980 -8.560 1.00 0.31 C ATOM 833 O LYS A 56 -7.705 18.535 -9.277 1.00 2.52 O ATOM 834 CB LYS A 56 -7.780 17.385 -6.306 1.00 61.34 C ATOM 835 CG LYS A 56 -8.356 16.322 -5.387 1.00 15.43 C ATOM 836 CD LYS A 56 -9.781 16.655 -4.974 1.00 45.13 C ATOM 837 CE LYS A 56 -9.851 17.982 -4.234 1.00 22.35 C ATOM 838 NZ LYS A 56 -11.229 18.277 -3.754 1.00 33.33 N ATOM 0 H LYS A 56 -5.911 15.785 -6.439 1.00 14.32 H new ATOM 0 HA LYS A 56 -8.074 16.268 -8.121 1.00 11.44 H new ATOM 0 HB2 LYS A 56 -6.959 17.888 -5.796 1.00 61.34 H new ATOM 0 HB3 LYS A 56 -8.544 18.138 -6.500 1.00 61.34 H new ATOM 0 HG2 LYS A 56 -8.339 15.356 -5.891 1.00 15.43 H new ATOM 0 HG3 LYS A 56 -7.731 16.230 -4.499 1.00 15.43 H new ATOM 0 HD2 LYS A 56 -10.417 16.696 -5.858 1.00 45.13 H new ATOM 0 HD3 LYS A 56 -10.171 15.861 -4.337 1.00 45.13 H new ATOM 0 HE2 LYS A 56 -9.167 17.961 -3.385 1.00 22.35 H new ATOM 0 HE3 LYS A 56 -9.517 18.783 -4.893 1.00 22.35 H new ATOM 0 HZ1 LYS A 56 -11.235 19.189 -3.255 1.00 33.33 H new ATOM 0 HZ2 LYS A 56 -11.877 18.322 -4.566 1.00 33.33 H new ATOM 0 HZ3 LYS A 56 -11.539 17.526 -3.105 1.00 33.33 H new ATOM 852 N PHE A 57 -5.591 18.331 -8.535 1.00 5.21 N ATOM 853 CA PHE A 57 -5.078 19.414 -9.367 1.00 30.14 C ATOM 854 C PHE A 57 -4.086 18.885 -10.398 1.00 23.51 C ATOM 855 O PHE A 57 -2.880 18.816 -10.158 1.00 40.04 O ATOM 856 CB PHE A 57 -4.408 20.480 -8.497 1.00 64.34 C ATOM 857 CG PHE A 57 -5.351 21.550 -8.027 1.00 23.22 C ATOM 858 CD1 PHE A 57 -5.610 22.659 -8.816 1.00 32.22 C ATOM 859 CD2 PHE A 57 -5.978 21.446 -6.796 1.00 11.42 C ATOM 860 CE1 PHE A 57 -6.477 23.645 -8.385 1.00 10.23 C ATOM 861 CE2 PHE A 57 -6.846 22.430 -6.360 1.00 33.54 C ATOM 862 CZ PHE A 57 -7.097 23.530 -7.156 1.00 22.13 C ATOM 0 H PHE A 57 -4.889 17.882 -7.948 1.00 5.21 H new ATOM 0 HA PHE A 57 -5.919 19.862 -9.896 1.00 30.14 H new ATOM 0 HB2 PHE A 57 -3.956 19.998 -7.630 1.00 64.34 H new ATOM 0 HB3 PHE A 57 -3.599 20.943 -9.062 1.00 64.34 H new ATOM 0 HD1 PHE A 57 -5.129 22.754 -9.778 1.00 32.22 H new ATOM 0 HD2 PHE A 57 -5.787 20.587 -6.170 1.00 11.42 H new ATOM 0 HE1 PHE A 57 -6.670 24.505 -9.009 1.00 10.23 H new ATOM 0 HE2 PHE A 57 -7.327 22.338 -5.398 1.00 33.54 H new ATOM 0 HZ PHE A 57 -7.776 24.299 -6.818 1.00 22.13 H new ATOM 872 N PRO A 58 -4.604 18.500 -11.574 1.00 1.02 N ATOM 873 CA PRO A 58 -3.782 17.970 -12.666 1.00 21.24 C ATOM 874 C PRO A 58 -2.894 19.038 -13.295 1.00 15.43 C ATOM 875 O PRO A 58 -2.002 18.732 -14.084 1.00 2.21 O ATOM 876 CB PRO A 58 -4.816 17.470 -13.677 1.00 62.35 C ATOM 877 CG PRO A 58 -6.034 18.283 -13.407 1.00 54.24 C ATOM 878 CD PRO A 58 -6.032 18.554 -11.928 1.00 71.22 C ATOM 0 HA PRO A 58 -3.095 17.198 -12.321 1.00 21.24 H new ATOM 0 HB2 PRO A 58 -4.467 17.607 -14.701 1.00 62.35 H new ATOM 0 HB3 PRO A 58 -5.014 16.406 -13.548 1.00 62.35 H new ATOM 0 HG2 PRO A 58 -6.016 19.214 -13.974 1.00 54.24 H new ATOM 0 HG3 PRO A 58 -6.935 17.746 -13.704 1.00 54.24 H new ATOM 0 HD2 PRO A 58 -6.467 19.526 -11.697 1.00 71.22 H new ATOM 0 HD3 PRO A 58 -6.610 17.808 -11.382 1.00 71.22 H new ATOM 886 N GLY A 59 -3.146 20.295 -12.939 1.00 60.23 N ATOM 887 CA GLY A 59 -2.361 21.390 -13.479 1.00 22.35 C ATOM 888 C GLY A 59 -1.081 21.623 -12.701 1.00 2.22 C ATOM 889 O GLY A 59 -0.486 22.698 -12.779 1.00 74.12 O ATOM 0 H GLY A 59 -3.879 20.574 -12.287 1.00 60.23 H new ATOM 0 HA2 GLY A 59 -2.117 21.179 -14.520 1.00 22.35 H new ATOM 0 HA3 GLY A 59 -2.959 22.301 -13.470 1.00 22.35 H new ATOM 893 N ALA A 60 -0.656 20.615 -11.947 1.00 31.33 N ATOM 894 CA ALA A 60 0.562 20.715 -11.152 1.00 15.23 C ATOM 895 C ALA A 60 1.242 19.358 -11.016 1.00 65.54 C ATOM 896 O ALA A 60 0.650 18.322 -11.318 1.00 72.43 O ATOM 897 CB ALA A 60 0.249 21.290 -9.778 1.00 41.42 C ATOM 0 H ALA A 60 -1.137 19.719 -11.870 1.00 31.33 H new ATOM 0 HA ALA A 60 1.249 21.386 -11.668 1.00 15.23 H new ATOM 0 HB1 ALA A 60 1.167 21.359 -9.195 1.00 41.42 H new ATOM 0 HB2 ALA A 60 -0.186 22.283 -9.890 1.00 41.42 H new ATOM 0 HB3 ALA A 60 -0.459 20.640 -9.264 1.00 41.42 H new ATOM 903 N VAL A 61 2.491 19.370 -10.561 1.00 63.32 N ATOM 904 CA VAL A 61 3.253 18.139 -10.386 1.00 20.04 C ATOM 905 C VAL A 61 3.193 17.657 -8.940 1.00 42.14 C ATOM 906 O VAL A 61 3.107 16.457 -8.678 1.00 1.42 O ATOM 907 CB VAL A 61 4.727 18.328 -10.791 1.00 52.34 C ATOM 908 CG1 VAL A 61 4.829 18.752 -12.249 1.00 2.44 C ATOM 909 CG2 VAL A 61 5.403 19.344 -9.883 1.00 52.11 C ATOM 0 H VAL A 61 2.997 20.219 -10.307 1.00 63.32 H new ATOM 0 HA VAL A 61 2.799 17.391 -11.036 1.00 20.04 H new ATOM 0 HB VAL A 61 5.243 17.374 -10.677 1.00 52.34 H new ATOM 0 HG11 VAL A 61 5.877 18.881 -12.518 1.00 2.44 H new ATOM 0 HG12 VAL A 61 4.383 17.985 -12.883 1.00 2.44 H new ATOM 0 HG13 VAL A 61 4.299 19.694 -12.392 1.00 2.44 H new ATOM 0 HG21 VAL A 61 6.444 19.465 -10.184 1.00 52.11 H new ATOM 0 HG22 VAL A 61 4.889 20.302 -9.962 1.00 52.11 H new ATOM 0 HG23 VAL A 61 5.362 18.994 -8.851 1.00 52.11 H new ATOM 919 N PHE A 62 3.239 18.601 -8.006 1.00 32.54 N ATOM 920 CA PHE A 62 3.190 18.273 -6.586 1.00 22.45 C ATOM 921 C PHE A 62 4.349 17.359 -6.198 1.00 44.13 C ATOM 922 O PHE A 62 4.788 16.524 -6.990 1.00 44.14 O ATOM 923 CB PHE A 62 1.859 17.601 -6.241 1.00 24.42 C ATOM 924 CG PHE A 62 0.677 18.520 -6.353 1.00 10.03 C ATOM 925 CD1 PHE A 62 0.042 18.708 -7.570 1.00 12.44 C ATOM 926 CD2 PHE A 62 0.201 19.196 -5.241 1.00 50.30 C ATOM 927 CE1 PHE A 62 -1.047 19.553 -7.676 1.00 42.40 C ATOM 928 CE2 PHE A 62 -0.887 20.042 -5.341 1.00 54.22 C ATOM 929 CZ PHE A 62 -1.511 20.222 -6.560 1.00 73.04 C ATOM 0 H PHE A 62 3.310 19.599 -8.207 1.00 32.54 H new ATOM 0 HA PHE A 62 3.278 19.201 -6.022 1.00 22.45 H new ATOM 0 HB2 PHE A 62 1.710 16.748 -6.903 1.00 24.42 H new ATOM 0 HB3 PHE A 62 1.911 17.211 -5.225 1.00 24.42 H new ATOM 0 HD1 PHE A 62 0.402 18.189 -8.446 1.00 12.44 H new ATOM 0 HD2 PHE A 62 0.686 19.060 -4.286 1.00 50.30 H new ATOM 0 HE1 PHE A 62 -1.534 19.690 -8.630 1.00 42.40 H new ATOM 0 HE2 PHE A 62 -1.249 20.562 -4.467 1.00 54.22 H new ATOM 0 HZ PHE A 62 -2.360 20.885 -6.641 1.00 73.04 H new ATOM 939 N LEU A 63 4.841 17.524 -4.975 1.00 64.24 N ATOM 940 CA LEU A 63 5.950 16.715 -4.481 1.00 44.05 C ATOM 941 C LEU A 63 6.408 17.199 -3.109 1.00 65.23 C ATOM 942 O LEU A 63 6.357 18.392 -2.810 1.00 50.14 O ATOM 943 CB LEU A 63 7.119 16.761 -5.467 1.00 63.52 C ATOM 944 CG LEU A 63 8.516 16.635 -4.858 1.00 62.43 C ATOM 945 CD1 LEU A 63 9.118 15.275 -5.179 1.00 14.05 C ATOM 946 CD2 LEU A 63 9.420 17.751 -5.361 1.00 13.32 C ATOM 0 H LEU A 63 4.490 18.210 -4.307 1.00 64.24 H new ATOM 0 HA LEU A 63 5.603 15.686 -4.386 1.00 44.05 H new ATOM 0 HB2 LEU A 63 6.987 15.959 -6.193 1.00 63.52 H new ATOM 0 HB3 LEU A 63 7.068 17.701 -6.017 1.00 63.52 H new ATOM 0 HG LEU A 63 8.428 16.725 -3.775 1.00 62.43 H new ATOM 0 HD11 LEU A 63 10.112 15.204 -4.737 1.00 14.05 H new ATOM 0 HD12 LEU A 63 8.482 14.490 -4.770 1.00 14.05 H new ATOM 0 HD13 LEU A 63 9.192 15.156 -6.260 1.00 14.05 H new ATOM 0 HD21 LEU A 63 10.410 17.645 -4.917 1.00 13.32 H new ATOM 0 HD22 LEU A 63 9.501 17.692 -6.446 1.00 13.32 H new ATOM 0 HD23 LEU A 63 8.998 18.716 -5.080 1.00 13.32 H new ATOM 958 N LYS A 64 6.859 16.265 -2.278 1.00 73.14 N ATOM 959 CA LYS A 64 7.330 16.595 -0.939 1.00 31.24 C ATOM 960 C LYS A 64 8.786 16.178 -0.756 1.00 33.02 C ATOM 961 O LYS A 64 9.175 15.069 -1.123 1.00 43.52 O ATOM 962 CB LYS A 64 6.456 15.910 0.115 1.00 61.13 C ATOM 963 CG LYS A 64 7.245 15.081 1.114 1.00 52.40 C ATOM 964 CD LYS A 64 6.327 14.275 2.017 1.00 31.31 C ATOM 965 CE LYS A 64 5.200 13.625 1.229 1.00 12.10 C ATOM 966 NZ LYS A 64 4.523 12.553 2.010 1.00 14.54 N ATOM 0 H LYS A 64 6.908 15.273 -2.509 1.00 73.14 H new ATOM 0 HA LYS A 64 7.261 17.676 -0.813 1.00 31.24 H new ATOM 0 HB2 LYS A 64 5.888 16.669 0.653 1.00 61.13 H new ATOM 0 HB3 LYS A 64 5.733 15.267 -0.387 1.00 61.13 H new ATOM 0 HG2 LYS A 64 7.915 14.407 0.580 1.00 52.40 H new ATOM 0 HG3 LYS A 64 7.869 15.737 1.720 1.00 52.40 H new ATOM 0 HD2 LYS A 64 6.904 13.506 2.531 1.00 31.31 H new ATOM 0 HD3 LYS A 64 5.908 14.925 2.785 1.00 31.31 H new ATOM 0 HE2 LYS A 64 4.470 14.384 0.946 1.00 12.10 H new ATOM 0 HE3 LYS A 64 5.598 13.205 0.305 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 3.761 12.135 1.438 1.00 14.54 H new ATOM 0 HZ2 LYS A 64 5.213 11.816 2.259 1.00 14.54 H new ATOM 0 HZ3 LYS A 64 4.121 12.958 2.879 1.00 14.54 H new ATOM 980 N VAL A 65 9.586 17.073 -0.184 1.00 74.24 N ATOM 981 CA VAL A 65 10.998 16.797 0.050 1.00 71.44 C ATOM 982 C VAL A 65 11.418 17.232 1.449 1.00 65.41 C ATOM 983 O VAL A 65 10.728 18.016 2.100 1.00 43.31 O ATOM 984 CB VAL A 65 11.888 17.508 -0.987 1.00 2.15 C ATOM 985 CG1 VAL A 65 11.095 17.822 -2.246 1.00 64.01 C ATOM 986 CG2 VAL A 65 12.487 18.775 -0.394 1.00 33.12 C ATOM 0 H VAL A 65 9.280 17.995 0.126 1.00 74.24 H new ATOM 0 HA VAL A 65 11.131 15.719 -0.047 1.00 71.44 H new ATOM 0 HB VAL A 65 12.705 16.839 -1.259 1.00 2.15 H new ATOM 0 HG11 VAL A 65 11.740 18.324 -2.967 1.00 64.01 H new ATOM 0 HG12 VAL A 65 10.719 16.895 -2.680 1.00 64.01 H new ATOM 0 HG13 VAL A 65 10.257 18.472 -1.995 1.00 64.01 H new ATOM 0 HG21 VAL A 65 13.113 19.265 -1.140 1.00 33.12 H new ATOM 0 HG22 VAL A 65 11.686 19.450 -0.093 1.00 33.12 H new ATOM 0 HG23 VAL A 65 13.092 18.519 0.476 1.00 33.12 H new ATOM 996 N ASP A 66 12.555 16.717 1.906 1.00 51.43 N ATOM 997 CA ASP A 66 13.069 17.054 3.228 1.00 24.21 C ATOM 998 C ASP A 66 14.280 17.977 3.122 1.00 74.52 C ATOM 999 O ASP A 66 15.235 17.684 2.402 1.00 10.45 O ATOM 1000 CB ASP A 66 13.447 15.783 3.990 1.00 20.24 C ATOM 1001 CG ASP A 66 13.500 16.001 5.490 1.00 40.03 C ATOM 1002 OD1 ASP A 66 12.449 16.328 6.079 1.00 52.33 O ATOM 1003 OD2 ASP A 66 14.593 15.845 6.074 1.00 11.40 O ATOM 0 H ASP A 66 13.137 16.065 1.380 1.00 51.43 H new ATOM 0 HA ASP A 66 12.283 17.576 3.774 1.00 24.21 H new ATOM 0 HB2 ASP A 66 12.724 14.999 3.765 1.00 20.24 H new ATOM 0 HB3 ASP A 66 14.418 15.430 3.643 1.00 20.24 H new ATOM 1008 N VAL A 67 14.232 19.093 3.842 1.00 35.43 N ATOM 1009 CA VAL A 67 15.324 20.059 3.829 1.00 34.42 C ATOM 1010 C VAL A 67 16.416 19.666 4.818 1.00 40.44 C ATOM 1011 O VAL A 67 17.109 20.524 5.365 1.00 10.13 O ATOM 1012 CB VAL A 67 14.824 21.475 4.169 1.00 52.41 C ATOM 1013 CG1 VAL A 67 13.534 21.780 3.423 1.00 74.31 C ATOM 1014 CG2 VAL A 67 14.629 21.626 5.670 1.00 24.31 C ATOM 0 H VAL A 67 13.448 19.351 4.442 1.00 35.43 H new ATOM 0 HA VAL A 67 15.735 20.060 2.819 1.00 34.42 H new ATOM 0 HB VAL A 67 15.579 22.193 3.850 1.00 52.41 H new ATOM 0 HG11 VAL A 67 13.196 22.785 3.676 1.00 74.31 H new ATOM 0 HG12 VAL A 67 13.711 21.716 2.349 1.00 74.31 H new ATOM 0 HG13 VAL A 67 12.769 21.058 3.708 1.00 74.31 H new ATOM 0 HG21 VAL A 67 14.275 22.633 5.891 1.00 24.31 H new ATOM 0 HG22 VAL A 67 13.894 20.899 6.016 1.00 24.31 H new ATOM 0 HG23 VAL A 67 15.577 21.454 6.179 1.00 24.31 H new ATOM 1024 N ASP A 68 16.565 18.365 5.041 1.00 53.42 N ATOM 1025 CA ASP A 68 17.575 17.858 5.963 1.00 54.24 C ATOM 1026 C ASP A 68 18.537 16.914 5.249 1.00 40.35 C ATOM 1027 O ASP A 68 19.649 16.675 5.719 1.00 74.44 O ATOM 1028 CB ASP A 68 16.909 17.137 7.135 1.00 30.44 C ATOM 1029 CG ASP A 68 17.488 17.551 8.474 1.00 62.51 C ATOM 1030 OD1 ASP A 68 17.540 18.768 8.747 1.00 71.15 O ATOM 1031 OD2 ASP A 68 17.891 16.657 9.248 1.00 13.14 O ATOM 0 H ASP A 68 15.999 17.642 4.596 1.00 53.42 H new ATOM 0 HA ASP A 68 18.143 18.707 6.344 1.00 54.24 H new ATOM 0 HB2 ASP A 68 15.839 17.345 7.125 1.00 30.44 H new ATOM 0 HB3 ASP A 68 17.026 16.061 7.009 1.00 30.44 H new ATOM 1036 N GLU A 69 18.101 16.381 4.112 1.00 53.25 N ATOM 1037 CA GLU A 69 18.924 15.462 3.334 1.00 33.14 C ATOM 1038 C GLU A 69 19.348 16.096 2.013 1.00 72.13 C ATOM 1039 O GLU A 69 20.454 15.860 1.525 1.00 71.05 O ATOM 1040 CB GLU A 69 18.162 14.162 3.068 1.00 63.32 C ATOM 1041 CG GLU A 69 16.866 14.362 2.301 1.00 60.32 C ATOM 1042 CD GLU A 69 15.965 13.143 2.351 1.00 53.31 C ATOM 1043 OE1 GLU A 69 16.491 12.012 2.297 1.00 2.43 O ATOM 1044 OE2 GLU A 69 14.732 13.322 2.444 1.00 70.40 O ATOM 0 H GLU A 69 17.183 16.570 3.709 1.00 53.25 H new ATOM 0 HA GLU A 69 19.820 15.238 3.913 1.00 33.14 H new ATOM 0 HB2 GLU A 69 18.804 13.482 2.508 1.00 63.32 H new ATOM 0 HB3 GLU A 69 17.940 13.680 4.020 1.00 63.32 H new ATOM 0 HG2 GLU A 69 16.334 15.220 2.712 1.00 60.32 H new ATOM 0 HG3 GLU A 69 17.096 14.597 1.262 1.00 60.32 H new ATOM 1051 N LEU A 70 18.461 16.901 1.438 1.00 1.03 N ATOM 1052 CA LEU A 70 18.742 17.570 0.172 1.00 30.44 C ATOM 1053 C LEU A 70 18.503 19.072 0.285 1.00 31.22 C ATOM 1054 O LEU A 70 18.251 19.748 -0.712 1.00 43.23 O ATOM 1055 CB LEU A 70 17.870 16.985 -0.940 1.00 60.12 C ATOM 1056 CG LEU A 70 16.435 17.509 -1.014 1.00 45.01 C ATOM 1057 CD1 LEU A 70 15.896 17.390 -2.431 1.00 41.11 C ATOM 1058 CD2 LEU A 70 15.542 16.759 -0.037 1.00 25.32 C ATOM 0 H LEU A 70 17.541 17.106 1.828 1.00 1.03 H new ATOM 0 HA LEU A 70 19.791 17.406 -0.073 1.00 30.44 H new ATOM 0 HB2 LEU A 70 18.356 17.180 -1.896 1.00 60.12 H new ATOM 0 HB3 LEU A 70 17.834 15.903 -0.815 1.00 60.12 H new ATOM 0 HG LEU A 70 16.439 18.563 -0.736 1.00 45.01 H new ATOM 0 HD11 LEU A 70 14.874 17.768 -2.464 1.00 41.11 H new ATOM 0 HD12 LEU A 70 16.521 17.973 -3.108 1.00 41.11 H new ATOM 0 HD13 LEU A 70 15.907 16.344 -2.738 1.00 41.11 H new ATOM 0 HD21 LEU A 70 14.525 17.145 -0.104 1.00 25.32 H new ATOM 0 HD22 LEU A 70 15.544 15.697 -0.284 1.00 25.32 H new ATOM 0 HD23 LEU A 70 15.917 16.896 0.977 1.00 25.32 H new ATOM 1070 N LYS A 71 18.585 19.589 1.506 1.00 21.35 N ATOM 1071 CA LYS A 71 18.381 21.012 1.751 1.00 65.41 C ATOM 1072 C LYS A 71 18.852 21.841 0.561 1.00 44.05 C ATOM 1073 O LYS A 71 18.258 22.868 0.235 1.00 70.01 O ATOM 1074 CB LYS A 71 19.128 21.445 3.015 1.00 75.21 C ATOM 1075 CG LYS A 71 20.172 20.444 3.478 1.00 60.01 C ATOM 1076 CD LYS A 71 21.452 21.136 3.916 1.00 13.13 C ATOM 1077 CE LYS A 71 22.440 21.260 2.767 1.00 25.42 C ATOM 1078 NZ LYS A 71 23.759 20.655 3.103 1.00 44.12 N ATOM 0 H LYS A 71 18.792 19.043 2.342 1.00 21.35 H new ATOM 0 HA LYS A 71 17.313 21.182 1.891 1.00 65.41 H new ATOM 0 HB2 LYS A 71 19.613 22.403 2.830 1.00 75.21 H new ATOM 0 HB3 LYS A 71 18.407 21.602 3.817 1.00 75.21 H new ATOM 0 HG2 LYS A 71 19.773 19.857 4.305 1.00 60.01 H new ATOM 0 HG3 LYS A 71 20.392 19.747 2.670 1.00 60.01 H new ATOM 0 HD2 LYS A 71 21.217 22.127 4.303 1.00 13.13 H new ATOM 0 HD3 LYS A 71 21.909 20.575 4.731 1.00 13.13 H new ATOM 0 HE2 LYS A 71 22.031 20.772 1.882 1.00 25.42 H new ATOM 0 HE3 LYS A 71 22.576 22.312 2.517 1.00 25.42 H new ATOM 0 HZ1 LYS A 71 24.405 20.760 2.295 1.00 44.12 H new ATOM 0 HZ2 LYS A 71 24.161 21.137 3.932 1.00 44.12 H new ATOM 0 HZ3 LYS A 71 23.633 19.645 3.317 1.00 44.12 H new ATOM 1092 N GLU A 72 19.922 21.387 -0.085 1.00 42.21 N ATOM 1093 CA GLU A 72 20.471 22.088 -1.240 1.00 1.41 C ATOM 1094 C GLU A 72 19.358 22.712 -2.077 1.00 42.21 C ATOM 1095 O GLU A 72 19.558 23.735 -2.733 1.00 31.14 O ATOM 1096 CB GLU A 72 21.296 21.130 -2.101 1.00 44.23 C ATOM 1097 CG GLU A 72 20.471 20.035 -2.756 1.00 13.51 C ATOM 1098 CD GLU A 72 20.935 18.645 -2.370 1.00 63.40 C ATOM 1099 OE1 GLU A 72 21.554 18.504 -1.294 1.00 74.40 O ATOM 1100 OE2 GLU A 72 20.681 17.698 -3.143 1.00 63.33 O ATOM 0 H GLU A 72 20.425 20.538 0.172 1.00 42.21 H new ATOM 0 HA GLU A 72 21.118 22.886 -0.875 1.00 1.41 H new ATOM 0 HB2 GLU A 72 21.807 21.701 -2.876 1.00 44.23 H new ATOM 0 HB3 GLU A 72 22.067 20.671 -1.482 1.00 44.23 H new ATOM 0 HG2 GLU A 72 19.425 20.156 -2.475 1.00 13.51 H new ATOM 0 HG3 GLU A 72 20.524 20.144 -3.839 1.00 13.51 H new ATOM 1107 N VAL A 73 18.185 22.088 -2.051 1.00 32.05 N ATOM 1108 CA VAL A 73 17.039 22.581 -2.806 1.00 23.11 C ATOM 1109 C VAL A 73 16.322 23.694 -2.051 1.00 55.44 C ATOM 1110 O VAL A 73 15.958 24.717 -2.632 1.00 31.13 O ATOM 1111 CB VAL A 73 16.037 21.451 -3.107 1.00 20.22 C ATOM 1112 CG1 VAL A 73 14.784 22.009 -3.763 1.00 54.22 C ATOM 1113 CG2 VAL A 73 16.681 20.388 -3.985 1.00 14.40 C ATOM 0 H VAL A 73 18.003 21.240 -1.515 1.00 32.05 H new ATOM 0 HA VAL A 73 17.425 22.974 -3.747 1.00 23.11 H new ATOM 0 HB VAL A 73 15.748 20.985 -2.165 1.00 20.22 H new ATOM 0 HG11 VAL A 73 14.088 21.196 -3.968 1.00 54.22 H new ATOM 0 HG12 VAL A 73 14.313 22.730 -3.094 1.00 54.22 H new ATOM 0 HG13 VAL A 73 15.051 22.502 -4.698 1.00 54.22 H new ATOM 0 HG21 VAL A 73 15.959 19.597 -4.188 1.00 14.40 H new ATOM 0 HG22 VAL A 73 17.001 20.837 -4.925 1.00 14.40 H new ATOM 0 HG23 VAL A 73 17.546 19.967 -3.472 1.00 14.40 H new ATOM 1123 N ALA A 74 16.121 23.489 -0.754 1.00 21.32 N ATOM 1124 CA ALA A 74 15.449 24.476 0.081 1.00 0.34 C ATOM 1125 C ALA A 74 16.293 25.738 0.226 1.00 55.42 C ATOM 1126 O ALA A 74 15.760 26.840 0.357 1.00 74.35 O ATOM 1127 CB ALA A 74 15.139 23.887 1.449 1.00 13.14 C ATOM 0 H ALA A 74 16.414 22.647 -0.258 1.00 21.32 H new ATOM 0 HA ALA A 74 14.513 24.750 -0.405 1.00 0.34 H new ATOM 0 HB1 ALA A 74 14.637 24.635 2.062 1.00 13.14 H new ATOM 0 HB2 ALA A 74 14.490 23.019 1.333 1.00 13.14 H new ATOM 0 HB3 ALA A 74 16.067 23.584 1.934 1.00 13.14 H new ATOM 1133 N GLU A 75 17.611 25.570 0.202 1.00 71.41 N ATOM 1134 CA GLU A 75 18.527 26.696 0.332 1.00 2.50 C ATOM 1135 C GLU A 75 18.428 27.621 -0.878 1.00 70.21 C ATOM 1136 O GLU A 75 18.790 28.796 -0.808 1.00 60.52 O ATOM 1137 CB GLU A 75 19.965 26.198 0.490 1.00 20.31 C ATOM 1138 CG GLU A 75 20.116 25.094 1.523 1.00 23.03 C ATOM 1139 CD GLU A 75 21.298 25.318 2.447 1.00 33.42 C ATOM 1140 OE1 GLU A 75 21.292 26.325 3.186 1.00 60.45 O ATOM 1141 OE2 GLU A 75 22.228 24.485 2.432 1.00 62.44 O ATOM 0 H GLU A 75 18.068 24.665 0.094 1.00 71.41 H new ATOM 0 HA GLU A 75 18.245 27.258 1.222 1.00 2.50 H new ATOM 0 HB2 GLU A 75 20.323 25.834 -0.473 1.00 20.31 H new ATOM 0 HB3 GLU A 75 20.602 27.037 0.771 1.00 20.31 H new ATOM 0 HG2 GLU A 75 19.204 25.029 2.116 1.00 23.03 H new ATOM 0 HG3 GLU A 75 20.234 24.138 1.013 1.00 23.03 H new ATOM 1148 N LYS A 76 17.935 27.082 -1.988 1.00 62.31 N ATOM 1149 CA LYS A 76 17.787 27.856 -3.215 1.00 32.13 C ATOM 1150 C LYS A 76 16.505 28.681 -3.185 1.00 54.52 C ATOM 1151 O LYS A 76 16.445 29.773 -3.751 1.00 52.40 O ATOM 1152 CB LYS A 76 17.780 26.927 -4.431 1.00 31.22 C ATOM 1153 CG LYS A 76 16.385 26.555 -4.904 1.00 24.51 C ATOM 1154 CD LYS A 76 16.395 25.266 -5.709 1.00 43.12 C ATOM 1155 CE LYS A 76 16.196 25.535 -7.193 1.00 31.30 C ATOM 1156 NZ LYS A 76 17.161 26.545 -7.708 1.00 53.23 N ATOM 0 H LYS A 76 17.631 26.111 -2.063 1.00 62.31 H new ATOM 0 HA LYS A 76 18.635 28.536 -3.291 1.00 32.13 H new ATOM 0 HB2 LYS A 76 18.315 27.409 -5.249 1.00 31.22 H new ATOM 0 HB3 LYS A 76 18.326 26.016 -4.185 1.00 31.22 H new ATOM 0 HG2 LYS A 76 15.726 26.443 -4.043 1.00 24.51 H new ATOM 0 HG3 LYS A 76 15.979 27.362 -5.513 1.00 24.51 H new ATOM 0 HD2 LYS A 76 17.341 24.747 -5.556 1.00 43.12 H new ATOM 0 HD3 LYS A 76 15.607 24.605 -5.349 1.00 43.12 H new ATOM 0 HE2 LYS A 76 16.312 24.605 -7.749 1.00 31.30 H new ATOM 0 HE3 LYS A 76 15.178 25.884 -7.365 1.00 31.30 H new ATOM 0 HZ1 LYS A 76 17.272 26.427 -8.735 1.00 53.23 H new ATOM 0 HZ2 LYS A 76 16.804 27.501 -7.506 1.00 53.23 H new ATOM 0 HZ3 LYS A 76 18.082 26.414 -7.243 1.00 53.23 H new ATOM 1170 N TYR A 77 15.482 28.154 -2.521 1.00 40.05 N ATOM 1171 CA TYR A 77 14.201 28.842 -2.419 1.00 54.22 C ATOM 1172 C TYR A 77 14.109 29.631 -1.117 1.00 14.42 C ATOM 1173 O TYR A 77 13.309 30.559 -0.995 1.00 63.42 O ATOM 1174 CB TYR A 77 13.050 27.837 -2.502 1.00 43.40 C ATOM 1175 CG TYR A 77 13.054 27.016 -3.771 1.00 64.42 C ATOM 1176 CD1 TYR A 77 13.423 27.579 -4.986 1.00 40.43 C ATOM 1177 CD2 TYR A 77 12.690 25.675 -3.755 1.00 23.31 C ATOM 1178 CE1 TYR A 77 13.427 26.832 -6.148 1.00 43.53 C ATOM 1179 CE2 TYR A 77 12.693 24.920 -4.912 1.00 21.32 C ATOM 1180 CZ TYR A 77 13.062 25.503 -6.106 1.00 12.20 C ATOM 1181 OH TYR A 77 13.066 24.755 -7.261 1.00 42.31 O ATOM 0 H TYR A 77 15.515 27.252 -2.045 1.00 40.05 H new ATOM 0 HA TYR A 77 14.125 29.541 -3.252 1.00 54.22 H new ATOM 0 HB2 TYR A 77 13.102 27.166 -1.645 1.00 43.40 H new ATOM 0 HB3 TYR A 77 12.104 28.374 -2.429 1.00 43.40 H new ATOM 0 HD1 TYR A 77 13.712 28.619 -5.023 1.00 40.43 H new ATOM 0 HD2 TYR A 77 12.400 25.215 -2.822 1.00 23.31 H new ATOM 0 HE1 TYR A 77 13.715 27.287 -7.085 1.00 43.53 H new ATOM 0 HE2 TYR A 77 12.408 23.879 -4.882 1.00 21.32 H new ATOM 0 HH TYR A 77 12.479 23.978 -7.150 1.00 42.31 H new ATOM 1191 N ASN A 78 14.934 29.256 -0.145 1.00 61.33 N ATOM 1192 CA ASN A 78 14.947 29.928 1.149 1.00 21.41 C ATOM 1193 C ASN A 78 13.750 29.504 1.994 1.00 34.31 C ATOM 1194 O ASN A 78 12.810 30.274 2.189 1.00 54.41 O ATOM 1195 CB ASN A 78 14.940 31.446 0.959 1.00 33.32 C ATOM 1196 CG ASN A 78 15.369 32.187 2.210 1.00 2.05 C ATOM 1197 OD1 ASN A 78 14.696 33.117 2.656 1.00 25.34 O ATOM 1198 ND2 ASN A 78 16.495 31.778 2.783 1.00 22.23 N ATOM 0 H ASN A 78 15.602 28.490 -0.229 1.00 61.33 H new ATOM 0 HA ASN A 78 15.859 29.639 1.672 1.00 21.41 H new ATOM 0 HB2 ASN A 78 15.606 31.710 0.137 1.00 33.32 H new ATOM 0 HB3 ASN A 78 13.939 31.769 0.674 1.00 33.32 H new ATOM 0 HD21 ASN A 78 16.834 32.239 3.627 1.00 22.23 H new ATOM 0 HD22 ASN A 78 17.021 31.003 2.379 1.00 22.23 H new ATOM 1246 N MET A 82 10.924 24.139 7.168 1.00 13.45 N ATOM 1247 CA MET A 82 9.505 24.051 7.494 1.00 51.24 C ATOM 1248 C MET A 82 8.732 23.365 6.372 1.00 53.12 C ATOM 1249 O MET A 82 9.236 23.172 5.265 1.00 3.25 O ATOM 1250 CB MET A 82 8.930 25.446 7.746 1.00 11.21 C ATOM 1251 CG MET A 82 9.988 26.492 8.057 1.00 11.43 C ATOM 1252 SD MET A 82 9.853 27.951 7.006 1.00 52.01 S ATOM 1253 CE MET A 82 9.803 27.195 5.383 1.00 52.11 C ATOM 0 HA MET A 82 9.402 23.455 8.401 1.00 51.24 H new ATOM 0 HB2 MET A 82 8.366 25.761 6.868 1.00 11.21 H new ATOM 0 HB3 MET A 82 8.226 25.395 8.576 1.00 11.21 H new ATOM 0 HG2 MET A 82 9.901 26.792 9.101 1.00 11.43 H new ATOM 0 HG3 MET A 82 10.977 26.051 7.934 1.00 11.43 H new ATOM 0 HE1 MET A 82 9.684 27.969 4.625 1.00 52.11 H new ATOM 0 HE2 MET A 82 10.732 26.652 5.206 1.00 52.11 H new ATOM 0 HE3 MET A 82 8.963 26.503 5.330 1.00 52.11 H new ATOM 1263 N PRO A 83 7.478 22.987 6.661 1.00 32.03 N ATOM 1264 CA PRO A 83 6.609 22.317 5.689 1.00 32.24 C ATOM 1265 C PRO A 83 6.172 23.248 4.563 1.00 25.32 C ATOM 1266 O PRO A 83 5.166 23.004 3.896 1.00 1.24 O ATOM 1267 CB PRO A 83 5.402 21.890 6.528 1.00 34.12 C ATOM 1268 CG PRO A 83 5.375 22.847 7.669 1.00 4.41 C ATOM 1269 CD PRO A 83 6.812 23.185 7.960 1.00 54.15 C ATOM 0 HA PRO A 83 7.115 21.489 5.193 1.00 32.24 H new ATOM 0 HB2 PRO A 83 4.480 21.939 5.949 1.00 34.12 H new ATOM 0 HB3 PRO A 83 5.506 20.862 6.876 1.00 34.12 H new ATOM 0 HG2 PRO A 83 4.807 23.742 7.414 1.00 4.41 H new ATOM 0 HG3 PRO A 83 4.895 22.402 8.540 1.00 4.41 H new ATOM 0 HD2 PRO A 83 6.920 24.210 8.315 1.00 54.15 H new ATOM 0 HD3 PRO A 83 7.230 22.536 8.729 1.00 54.15 H new ATOM 1277 N THR A 84 6.936 24.316 4.355 1.00 21.11 N ATOM 1278 CA THR A 84 6.628 25.284 3.310 1.00 30.20 C ATOM 1279 C THR A 84 6.336 24.588 1.985 1.00 2.42 C ATOM 1280 O THR A 84 7.118 23.757 1.524 1.00 43.15 O ATOM 1281 CB THR A 84 7.784 26.281 3.109 1.00 4.34 C ATOM 1282 OG1 THR A 84 7.495 27.509 3.787 1.00 4.21 O ATOM 1283 CG2 THR A 84 8.013 26.554 1.630 1.00 3.25 C ATOM 0 H THR A 84 7.773 24.532 4.897 1.00 21.11 H new ATOM 0 HA THR A 84 5.741 25.828 3.635 1.00 30.20 H new ATOM 0 HB THR A 84 8.690 25.841 3.525 1.00 4.34 H new ATOM 0 HG1 THR A 84 7.923 28.253 3.313 1.00 4.21 H new ATOM 0 HG21 THR A 84 8.834 27.261 1.513 1.00 3.25 H new ATOM 0 HG22 THR A 84 8.262 25.622 1.122 1.00 3.25 H new ATOM 0 HG23 THR A 84 7.107 26.975 1.193 1.00 3.25 H new ATOM 1291 N PHE A 85 5.206 24.934 1.377 1.00 23.12 N ATOM 1292 CA PHE A 85 4.811 24.342 0.104 1.00 1.13 C ATOM 1293 C PHE A 85 5.387 25.134 -1.066 1.00 14.51 C ATOM 1294 O PHE A 85 4.710 25.360 -2.070 1.00 40.41 O ATOM 1295 CB PHE A 85 3.286 24.285 -0.004 1.00 50.44 C ATOM 1296 CG PHE A 85 2.715 22.925 0.277 1.00 21.04 C ATOM 1297 CD1 PHE A 85 2.934 22.306 1.498 1.00 52.53 C ATOM 1298 CD2 PHE A 85 1.960 22.264 -0.679 1.00 2.45 C ATOM 1299 CE1 PHE A 85 2.410 21.055 1.760 1.00 35.24 C ATOM 1300 CE2 PHE A 85 1.433 21.013 -0.421 1.00 61.04 C ATOM 1301 CZ PHE A 85 1.659 20.407 0.799 1.00 61.20 C ATOM 0 H PHE A 85 4.548 25.621 1.745 1.00 23.12 H new ATOM 0 HA PHE A 85 5.209 23.328 0.064 1.00 1.13 H new ATOM 0 HB2 PHE A 85 2.853 25.003 0.693 1.00 50.44 H new ATOM 0 HB3 PHE A 85 2.989 24.595 -1.006 1.00 50.44 H new ATOM 0 HD1 PHE A 85 3.521 22.808 2.253 1.00 52.53 H new ATOM 0 HD2 PHE A 85 1.782 22.732 -1.636 1.00 2.45 H new ATOM 0 HE1 PHE A 85 2.587 20.584 2.716 1.00 35.24 H new ATOM 0 HE2 PHE A 85 0.844 20.509 -1.173 1.00 61.04 H new ATOM 0 HZ PHE A 85 1.249 19.428 1.001 1.00 61.20 H new ATOM 1311 N LEU A 86 6.639 25.555 -0.929 1.00 23.33 N ATOM 1312 CA LEU A 86 7.307 26.323 -1.974 1.00 23.23 C ATOM 1313 C LEU A 86 6.779 25.941 -3.353 1.00 33.04 C ATOM 1314 O LEU A 86 6.576 24.763 -3.647 1.00 33.22 O ATOM 1315 CB LEU A 86 8.819 26.096 -1.914 1.00 31.34 C ATOM 1316 CG LEU A 86 9.693 27.287 -2.308 1.00 73.11 C ATOM 1317 CD1 LEU A 86 8.965 28.176 -3.305 1.00 22.32 C ATOM 1318 CD2 LEU A 86 10.097 28.083 -1.076 1.00 54.40 C ATOM 0 H LEU A 86 7.213 25.378 -0.104 1.00 23.33 H new ATOM 0 HA LEU A 86 7.097 27.379 -1.804 1.00 23.23 H new ATOM 0 HB2 LEU A 86 9.081 25.799 -0.899 1.00 31.34 H new ATOM 0 HB3 LEU A 86 9.066 25.258 -2.566 1.00 31.34 H new ATOM 0 HG LEU A 86 10.598 26.908 -2.783 1.00 73.11 H new ATOM 0 HD11 LEU A 86 9.602 29.019 -3.574 1.00 22.32 H new ATOM 0 HD12 LEU A 86 8.727 27.601 -4.200 1.00 22.32 H new ATOM 0 HD13 LEU A 86 8.043 28.547 -2.857 1.00 22.32 H new ATOM 0 HD21 LEU A 86 10.719 28.927 -1.376 1.00 54.40 H new ATOM 0 HD22 LEU A 86 9.204 28.452 -0.572 1.00 54.40 H new ATOM 0 HD23 LEU A 86 10.659 27.442 -0.397 1.00 54.40 H new ATOM 1330 N PHE A 87 6.560 26.945 -4.195 1.00 74.23 N ATOM 1331 CA PHE A 87 6.056 26.714 -5.544 1.00 51.43 C ATOM 1332 C PHE A 87 7.081 27.147 -6.589 1.00 15.22 C ATOM 1333 O PHE A 87 7.904 28.028 -6.338 1.00 54.23 O ATOM 1334 CB PHE A 87 4.743 27.471 -5.757 1.00 70.34 C ATOM 1335 CG PHE A 87 3.599 26.926 -4.950 1.00 65.12 C ATOM 1336 CD1 PHE A 87 3.601 27.024 -3.568 1.00 54.52 C ATOM 1337 CD2 PHE A 87 2.524 26.315 -5.574 1.00 34.54 C ATOM 1338 CE1 PHE A 87 2.550 26.524 -2.822 1.00 52.44 C ATOM 1339 CE2 PHE A 87 1.470 25.813 -4.833 1.00 52.12 C ATOM 1340 CZ PHE A 87 1.483 25.917 -3.456 1.00 24.01 C ATOM 0 H PHE A 87 6.723 27.926 -3.968 1.00 74.23 H new ATOM 0 HA PHE A 87 5.874 25.645 -5.659 1.00 51.43 H new ATOM 0 HB2 PHE A 87 4.892 28.520 -5.500 1.00 70.34 H new ATOM 0 HB3 PHE A 87 4.480 27.436 -6.814 1.00 70.34 H new ATOM 0 HD1 PHE A 87 4.433 27.497 -3.068 1.00 54.52 H new ATOM 0 HD2 PHE A 87 2.509 26.230 -6.651 1.00 34.54 H new ATOM 0 HE1 PHE A 87 2.563 26.608 -1.745 1.00 52.44 H new ATOM 0 HE2 PHE A 87 0.637 25.340 -5.331 1.00 52.12 H new ATOM 0 HZ PHE A 87 0.661 25.525 -2.876 1.00 24.01 H new ATOM 1350 N ILE A 88 7.024 26.521 -7.759 1.00 52.14 N ATOM 1351 CA ILE A 88 7.946 26.841 -8.842 1.00 12.30 C ATOM 1352 C ILE A 88 7.225 26.876 -10.186 1.00 24.45 C ATOM 1353 O ILE A 88 7.282 25.919 -10.958 1.00 23.40 O ATOM 1354 CB ILE A 88 9.101 25.825 -8.917 1.00 55.01 C ATOM 1355 CG1 ILE A 88 9.648 25.538 -7.518 1.00 30.25 C ATOM 1356 CG2 ILE A 88 10.204 26.343 -9.827 1.00 51.53 C ATOM 1357 CD1 ILE A 88 10.609 26.593 -7.016 1.00 62.34 C ATOM 0 H ILE A 88 6.349 25.789 -7.982 1.00 52.14 H new ATOM 0 HA ILE A 88 8.355 27.828 -8.627 1.00 12.30 H new ATOM 0 HB ILE A 88 8.719 24.894 -9.335 1.00 55.01 H new ATOM 0 HG12 ILE A 88 8.814 25.456 -6.821 1.00 30.25 H new ATOM 0 HG13 ILE A 88 10.153 24.572 -7.525 1.00 30.25 H new ATOM 0 HG21 ILE A 88 11.013 25.614 -9.870 1.00 51.53 H new ATOM 0 HG22 ILE A 88 9.805 26.501 -10.829 1.00 51.53 H new ATOM 0 HG23 ILE A 88 10.586 27.286 -9.436 1.00 51.53 H new ATOM 0 HD11 ILE A 88 10.956 26.324 -6.019 1.00 62.34 H new ATOM 0 HD12 ILE A 88 11.462 26.659 -7.692 1.00 62.34 H new ATOM 0 HD13 ILE A 88 10.102 27.557 -6.976 1.00 62.34 H new ATOM 1369 N LYS A 89 6.549 27.986 -10.460 1.00 33.25 N ATOM 1370 CA LYS A 89 5.819 28.148 -11.711 1.00 52.23 C ATOM 1371 C LYS A 89 6.761 28.545 -12.843 1.00 42.11 C ATOM 1372 O LYS A 89 7.448 29.564 -12.763 1.00 72.13 O ATOM 1373 CB LYS A 89 4.722 29.204 -11.553 1.00 21.32 C ATOM 1374 CG LYS A 89 4.131 29.670 -12.872 1.00 70.51 C ATOM 1375 CD LYS A 89 2.628 29.868 -12.771 1.00 31.33 C ATOM 1376 CE LYS A 89 2.237 30.495 -11.441 1.00 72.23 C ATOM 1377 NZ LYS A 89 1.251 31.597 -11.617 1.00 4.43 N ATOM 0 H LYS A 89 6.492 28.788 -9.832 1.00 33.25 H new ATOM 0 HA LYS A 89 5.361 27.191 -11.961 1.00 52.23 H new ATOM 0 HB2 LYS A 89 3.925 28.797 -10.931 1.00 21.32 H new ATOM 0 HB3 LYS A 89 5.131 30.065 -11.024 1.00 21.32 H new ATOM 0 HG2 LYS A 89 4.603 30.606 -13.173 1.00 70.51 H new ATOM 0 HG3 LYS A 89 4.351 28.938 -13.649 1.00 70.51 H new ATOM 0 HD2 LYS A 89 2.288 30.504 -13.588 1.00 31.33 H new ATOM 0 HD3 LYS A 89 2.125 28.908 -12.884 1.00 31.33 H new ATOM 0 HE2 LYS A 89 1.815 29.730 -10.789 1.00 72.23 H new ATOM 0 HE3 LYS A 89 3.128 30.880 -10.945 1.00 72.23 H new ATOM 0 HZ1 LYS A 89 1.010 31.999 -10.688 1.00 4.43 H new ATOM 0 HZ2 LYS A 89 1.663 32.339 -12.218 1.00 4.43 H new ATOM 0 HZ3 LYS A 89 0.391 31.224 -12.067 1.00 4.43 H new ATOM 1391 N ASP A 90 6.788 27.736 -13.896 1.00 31.51 N ATOM 1392 CA ASP A 90 7.644 28.004 -15.045 1.00 63.13 C ATOM 1393 C ASP A 90 9.069 27.525 -14.785 1.00 60.42 C ATOM 1394 O ASP A 90 9.910 27.528 -15.683 1.00 53.13 O ATOM 1395 CB ASP A 90 7.647 29.499 -15.368 1.00 71.14 C ATOM 1396 CG ASP A 90 7.863 29.772 -16.844 1.00 25.02 C ATOM 1397 OD1 ASP A 90 6.985 29.403 -17.651 1.00 55.41 O ATOM 1398 OD2 ASP A 90 8.911 30.355 -17.191 1.00 45.02 O ATOM 0 H ASP A 90 6.226 26.888 -13.978 1.00 31.51 H new ATOM 0 HA ASP A 90 7.246 27.456 -15.899 1.00 63.13 H new ATOM 0 HB2 ASP A 90 6.699 29.937 -15.055 1.00 71.14 H new ATOM 0 HB3 ASP A 90 8.431 29.991 -14.792 1.00 71.14 H new ATOM 1403 N GLY A 91 9.333 27.113 -13.549 1.00 4.44 N ATOM 1404 CA GLY A 91 10.657 26.638 -13.192 1.00 4.30 C ATOM 1405 C GLY A 91 11.491 27.704 -12.508 1.00 30.40 C ATOM 1406 O GLY A 91 12.675 27.861 -12.806 1.00 15.23 O ATOM 0 H GLY A 91 8.654 27.100 -12.788 1.00 4.44 H new ATOM 0 HA2 GLY A 91 10.564 25.775 -12.533 1.00 4.30 H new ATOM 0 HA3 GLY A 91 11.172 26.299 -14.091 1.00 4.30 H new ATOM 1410 N ALA A 92 10.872 28.438 -11.590 1.00 12.14 N ATOM 1411 CA ALA A 92 11.565 29.494 -10.861 1.00 75.24 C ATOM 1412 C ALA A 92 11.067 29.586 -9.423 1.00 24.32 C ATOM 1413 O ALA A 92 11.627 28.961 -8.523 1.00 3.15 O ATOM 1414 CB ALA A 92 11.386 30.828 -11.570 1.00 12.41 C ATOM 0 H ALA A 92 9.892 28.321 -11.333 1.00 12.14 H new ATOM 0 HA ALA A 92 12.627 29.248 -10.835 1.00 75.24 H new ATOM 0 HB1 ALA A 92 11.908 31.608 -11.015 1.00 12.41 H new ATOM 0 HB2 ALA A 92 11.796 30.762 -12.578 1.00 12.41 H new ATOM 0 HB3 ALA A 92 10.325 31.071 -11.626 1.00 12.41 H new ATOM 1420 N GLU A 93 10.014 30.369 -9.214 1.00 74.24 N ATOM 1421 CA GLU A 93 9.443 30.543 -7.884 1.00 21.32 C ATOM 1422 C GLU A 93 8.176 31.392 -7.942 1.00 23.43 C ATOM 1423 O GLU A 93 8.239 32.609 -8.113 1.00 24.33 O ATOM 1424 CB GLU A 93 10.464 31.193 -6.948 1.00 51.40 C ATOM 1425 CG GLU A 93 10.207 30.913 -5.477 1.00 73.40 C ATOM 1426 CD GLU A 93 11.454 31.062 -4.628 1.00 1.12 C ATOM 1427 OE1 GLU A 93 11.735 32.194 -4.182 1.00 10.43 O ATOM 1428 OE2 GLU A 93 12.149 30.048 -4.410 1.00 0.05 O ATOM 0 H GLU A 93 9.539 30.893 -9.949 1.00 74.24 H new ATOM 0 HA GLU A 93 9.181 29.558 -7.497 1.00 21.32 H new ATOM 0 HB2 GLU A 93 11.461 30.837 -7.208 1.00 51.40 H new ATOM 0 HB3 GLU A 93 10.458 32.271 -7.110 1.00 51.40 H new ATOM 0 HG2 GLU A 93 9.439 31.594 -5.110 1.00 73.40 H new ATOM 0 HG3 GLU A 93 9.816 29.902 -5.367 1.00 73.40 H new ATOM 1435 N ALA A 94 7.027 30.740 -7.798 1.00 61.34 N ATOM 1436 CA ALA A 94 5.746 31.434 -7.833 1.00 32.53 C ATOM 1437 C ALA A 94 5.360 31.943 -6.448 1.00 71.31 C ATOM 1438 O ALA A 94 4.738 32.997 -6.315 1.00 5.11 O ATOM 1439 CB ALA A 94 4.663 30.516 -8.380 1.00 70.52 C ATOM 0 H ALA A 94 6.957 29.732 -7.656 1.00 61.34 H new ATOM 0 HA ALA A 94 5.845 32.295 -8.494 1.00 32.53 H new ATOM 0 HB1 ALA A 94 3.712 31.048 -8.400 1.00 70.52 H new ATOM 0 HB2 ALA A 94 4.926 30.205 -9.391 1.00 70.52 H new ATOM 0 HB3 ALA A 94 4.574 29.637 -7.741 1.00 70.52 H new ATOM 1445 N ASP A 95 5.731 31.187 -5.420 1.00 43.35 N ATOM 1446 CA ASP A 95 5.424 31.563 -4.045 1.00 62.41 C ATOM 1447 C ASP A 95 5.431 30.339 -3.134 1.00 12.33 C ATOM 1448 O ASP A 95 5.673 29.219 -3.582 1.00 71.51 O ATOM 1449 CB ASP A 95 4.064 32.259 -3.975 1.00 61.45 C ATOM 1450 CG ASP A 95 4.188 33.769 -3.948 1.00 14.40 C ATOM 1451 OD1 ASP A 95 5.152 34.274 -3.337 1.00 2.32 O ATOM 1452 OD2 ASP A 95 3.319 34.447 -4.537 1.00 21.11 O ATOM 0 H ASP A 95 6.245 30.311 -5.513 1.00 43.35 H new ATOM 0 HA ASP A 95 6.194 32.254 -3.702 1.00 62.41 H new ATOM 0 HB2 ASP A 95 3.462 31.962 -4.834 1.00 61.45 H new ATOM 0 HB3 ASP A 95 3.533 31.925 -3.083 1.00 61.45 H new ATOM 1457 N LYS A 96 5.164 30.562 -1.851 1.00 42.02 N ATOM 1458 CA LYS A 96 5.139 29.479 -0.875 1.00 52.12 C ATOM 1459 C LYS A 96 3.805 29.443 -0.137 1.00 12.55 C ATOM 1460 O LYS A 96 2.919 30.258 -0.395 1.00 75.23 O ATOM 1461 CB LYS A 96 6.284 29.641 0.127 1.00 64.25 C ATOM 1462 CG LYS A 96 7.577 30.132 -0.502 1.00 11.53 C ATOM 1463 CD LYS A 96 7.924 31.537 -0.037 1.00 54.13 C ATOM 1464 CE LYS A 96 9.064 31.526 0.969 1.00 32.24 C ATOM 1465 NZ LYS A 96 9.588 32.895 1.229 1.00 12.33 N ATOM 0 H LYS A 96 4.962 31.483 -1.463 1.00 42.02 H new ATOM 0 HA LYS A 96 5.264 28.538 -1.411 1.00 52.12 H new ATOM 0 HB2 LYS A 96 5.979 30.341 0.905 1.00 64.25 H new ATOM 0 HB3 LYS A 96 6.467 28.684 0.615 1.00 64.25 H new ATOM 0 HG2 LYS A 96 8.389 29.452 -0.245 1.00 11.53 H new ATOM 0 HG3 LYS A 96 7.482 30.120 -1.588 1.00 11.53 H new ATOM 0 HD2 LYS A 96 8.202 32.147 -0.896 1.00 54.13 H new ATOM 0 HD3 LYS A 96 7.045 32.000 0.412 1.00 54.13 H new ATOM 0 HE2 LYS A 96 8.719 31.086 1.904 1.00 32.24 H new ATOM 0 HE3 LYS A 96 9.870 30.893 0.597 1.00 32.24 H new ATOM 0 HZ1 LYS A 96 10.364 32.844 1.920 1.00 12.33 H new ATOM 0 HZ2 LYS A 96 9.941 33.306 0.341 1.00 12.33 H new ATOM 0 HZ3 LYS A 96 8.826 33.492 1.608 1.00 12.33 H new ATOM 1479 N VAL A 97 3.669 28.496 0.785 1.00 30.54 N ATOM 1480 CA VAL A 97 2.444 28.356 1.564 1.00 71.24 C ATOM 1481 C VAL A 97 2.728 27.742 2.930 1.00 72.32 C ATOM 1482 O VAL A 97 3.033 28.450 3.890 1.00 74.24 O ATOM 1483 CB VAL A 97 1.407 27.486 0.827 1.00 5.24 C ATOM 1484 CG1 VAL A 97 0.359 26.967 1.799 1.00 12.23 C ATOM 1485 CG2 VAL A 97 0.758 28.273 -0.301 1.00 33.11 C ATOM 0 H VAL A 97 4.392 27.814 1.011 1.00 30.54 H new ATOM 0 HA VAL A 97 2.037 29.358 1.698 1.00 71.24 H new ATOM 0 HB VAL A 97 1.920 26.628 0.392 1.00 5.24 H new ATOM 0 HG11 VAL A 97 -0.365 26.355 1.261 1.00 12.23 H new ATOM 0 HG12 VAL A 97 0.843 26.365 2.568 1.00 12.23 H new ATOM 0 HG13 VAL A 97 -0.153 27.809 2.265 1.00 12.23 H new ATOM 0 HG21 VAL A 97 0.029 27.644 -0.811 1.00 33.11 H new ATOM 0 HG22 VAL A 97 0.257 29.150 0.109 1.00 33.11 H new ATOM 0 HG23 VAL A 97 1.523 28.590 -1.010 1.00 33.11 H new ATOM 1495 N VAL A 98 2.626 26.419 3.011 1.00 61.24 N ATOM 1496 CA VAL A 98 2.873 25.708 4.259 1.00 24.23 C ATOM 1497 C VAL A 98 2.178 24.351 4.266 1.00 1.23 C ATOM 1498 O VAL A 98 1.014 24.236 3.885 1.00 0.50 O ATOM 1499 CB VAL A 98 2.394 26.524 5.474 1.00 4.23 C ATOM 1500 CG1 VAL A 98 1.702 25.622 6.485 1.00 43.13 C ATOM 1501 CG2 VAL A 98 3.562 27.259 6.115 1.00 12.34 C ATOM 0 H VAL A 98 2.374 25.818 2.226 1.00 61.24 H new ATOM 0 HA VAL A 98 3.951 25.561 4.331 1.00 24.23 H new ATOM 0 HB VAL A 98 1.672 27.265 5.130 1.00 4.23 H new ATOM 0 HG11 VAL A 98 1.371 26.217 7.336 1.00 43.13 H new ATOM 0 HG12 VAL A 98 0.840 25.146 6.018 1.00 43.13 H new ATOM 0 HG13 VAL A 98 2.399 24.856 6.826 1.00 43.13 H new ATOM 0 HG21 VAL A 98 3.206 27.831 6.972 1.00 12.34 H new ATOM 0 HG22 VAL A 98 4.309 26.537 6.445 1.00 12.34 H new ATOM 0 HG23 VAL A 98 4.009 27.936 5.387 1.00 12.34 H new ATOM 1511 N GLY A 99 2.900 23.324 4.704 1.00 45.04 N ATOM 1512 CA GLY A 99 2.336 21.988 4.753 1.00 63.13 C ATOM 1513 C GLY A 99 1.596 21.719 6.047 1.00 35.55 C ATOM 1514 O GLY A 99 1.719 20.641 6.628 1.00 30.33 O ATOM 0 H GLY A 99 3.865 23.394 5.026 1.00 45.04 H new ATOM 0 HA2 GLY A 99 1.654 21.854 3.913 1.00 63.13 H new ATOM 0 HA3 GLY A 99 3.134 21.255 4.635 1.00 63.13 H new ATOM 1518 N ALA A 100 0.825 22.701 6.502 1.00 53.23 N ATOM 1519 CA ALA A 100 0.061 22.565 7.736 1.00 61.22 C ATOM 1520 C ALA A 100 -1.162 23.476 7.728 1.00 21.32 C ATOM 1521 O ALA A 100 -1.775 23.716 8.768 1.00 32.23 O ATOM 1522 CB ALA A 100 0.942 22.871 8.938 1.00 30.21 C ATOM 0 H ALA A 100 0.713 23.600 6.034 1.00 53.23 H new ATOM 0 HA ALA A 100 -0.287 21.535 7.807 1.00 61.22 H new ATOM 0 HB1 ALA A 100 0.359 22.766 9.853 1.00 30.21 H new ATOM 0 HB2 ALA A 100 1.781 22.176 8.961 1.00 30.21 H new ATOM 0 HB3 ALA A 100 1.318 23.891 8.863 1.00 30.21 H new ATOM 1528 N ARG A 101 -1.511 23.981 6.549 1.00 24.53 N ATOM 1529 CA ARG A 101 -2.659 24.867 6.407 1.00 34.23 C ATOM 1530 C ARG A 101 -3.650 24.314 5.387 1.00 30.40 C ATOM 1531 O ARG A 101 -3.347 24.222 4.197 1.00 2.22 O ATOM 1532 CB ARG A 101 -2.203 26.265 5.985 1.00 31.41 C ATOM 1533 CG ARG A 101 -2.164 27.264 7.130 1.00 62.04 C ATOM 1534 CD ARG A 101 -1.147 26.861 8.186 1.00 2.31 C ATOM 1535 NE ARG A 101 -1.182 27.748 9.346 1.00 52.10 N ATOM 1536 CZ ARG A 101 -0.197 27.838 10.233 1.00 73.13 C ATOM 1537 NH1 ARG A 101 0.895 27.099 10.093 1.00 52.24 N ATOM 1538 NH2 ARG A 101 -0.303 28.668 11.262 1.00 14.51 N ATOM 0 H ARG A 101 -1.015 23.791 5.678 1.00 24.53 H new ATOM 0 HA ARG A 101 -3.157 24.932 7.374 1.00 34.23 H new ATOM 0 HB2 ARG A 101 -1.210 26.195 5.541 1.00 31.41 H new ATOM 0 HB3 ARG A 101 -2.873 26.638 5.211 1.00 31.41 H new ATOM 0 HG2 ARG A 101 -1.917 28.253 6.743 1.00 62.04 H new ATOM 0 HG3 ARG A 101 -3.152 27.337 7.584 1.00 62.04 H new ATOM 0 HD2 ARG A 101 -1.343 25.838 8.506 1.00 2.31 H new ATOM 0 HD3 ARG A 101 -0.148 26.873 7.750 1.00 2.31 H new ATOM 0 HE ARG A 101 -2.008 28.330 9.483 1.00 52.10 H new ATOM 0 HH11 ARG A 101 0.980 26.460 9.303 1.00 52.24 H new ATOM 0 HH12 ARG A 101 1.650 27.170 10.775 1.00 52.24 H new ATOM 0 HH21 ARG A 101 -1.141 29.238 11.373 1.00 14.51 H new ATOM 0 HH22 ARG A 101 0.454 28.736 11.942 1.00 14.51 H new ATOM 1552 N LYS A 102 -4.835 23.945 5.861 1.00 55.23 N ATOM 1553 CA LYS A 102 -5.872 23.401 4.991 1.00 10.52 C ATOM 1554 C LYS A 102 -6.736 24.517 4.412 1.00 72.24 C ATOM 1555 O LYS A 102 -7.793 24.260 3.835 1.00 34.03 O ATOM 1556 CB LYS A 102 -6.748 22.413 5.764 1.00 63.51 C ATOM 1557 CG LYS A 102 -7.216 21.233 4.929 1.00 43.21 C ATOM 1558 CD LYS A 102 -8.480 21.565 4.154 1.00 12.14 C ATOM 1559 CE LYS A 102 -9.366 20.341 3.983 1.00 33.21 C ATOM 1560 NZ LYS A 102 -10.779 20.621 4.362 1.00 1.13 N ATOM 0 H LYS A 102 -5.102 24.013 6.843 1.00 55.23 H new ATOM 0 HA LYS A 102 -5.384 22.878 4.168 1.00 10.52 H new ATOM 0 HB2 LYS A 102 -6.190 22.041 6.623 1.00 63.51 H new ATOM 0 HB3 LYS A 102 -7.619 22.940 6.153 1.00 63.51 H new ATOM 0 HG2 LYS A 102 -6.428 20.942 4.234 1.00 43.21 H new ATOM 0 HG3 LYS A 102 -7.400 20.377 5.578 1.00 43.21 H new ATOM 0 HD2 LYS A 102 -9.033 22.346 4.675 1.00 12.14 H new ATOM 0 HD3 LYS A 102 -8.214 21.963 3.175 1.00 12.14 H new ATOM 0 HE2 LYS A 102 -9.328 20.007 2.946 1.00 33.21 H new ATOM 0 HE3 LYS A 102 -8.981 19.526 4.595 1.00 33.21 H new ATOM 0 HZ1 LYS A 102 -11.350 19.762 4.231 1.00 1.13 H new ATOM 0 HZ2 LYS A 102 -10.819 20.915 5.359 1.00 1.13 H new ATOM 0 HZ3 LYS A 102 -11.155 21.382 3.761 1.00 1.13 H new ATOM 1574 N ASP A 103 -6.279 25.754 4.567 1.00 51.41 N ATOM 1575 CA ASP A 103 -7.009 26.909 4.057 1.00 75.15 C ATOM 1576 C ASP A 103 -6.087 27.826 3.260 1.00 52.51 C ATOM 1577 O ASP A 103 -6.535 28.805 2.661 1.00 23.22 O ATOM 1578 CB ASP A 103 -7.650 27.684 5.209 1.00 42.31 C ATOM 1579 CG ASP A 103 -6.753 28.789 5.732 1.00 52.42 C ATOM 1580 OD1 ASP A 103 -5.546 28.533 5.924 1.00 0.42 O ATOM 1581 OD2 ASP A 103 -7.259 29.911 5.948 1.00 64.43 O ATOM 0 H ASP A 103 -5.406 25.983 5.042 1.00 51.41 H new ATOM 0 HA ASP A 103 -7.794 26.547 3.393 1.00 75.15 H new ATOM 0 HB2 ASP A 103 -8.594 28.114 4.873 1.00 42.31 H new ATOM 0 HB3 ASP A 103 -7.884 26.995 6.021 1.00 42.31 H new ATOM 1586 N ASP A 104 -4.798 27.505 3.258 1.00 34.42 N ATOM 1587 CA ASP A 104 -3.813 28.300 2.535 1.00 23.23 C ATOM 1588 C ASP A 104 -3.252 27.522 1.349 1.00 44.32 C ATOM 1589 O ASP A 104 -2.875 28.107 0.332 1.00 21.30 O ATOM 1590 CB ASP A 104 -2.677 28.716 3.471 1.00 42.51 C ATOM 1591 CG ASP A 104 -2.155 30.107 3.165 1.00 71.31 C ATOM 1592 OD1 ASP A 104 -2.143 30.487 1.976 1.00 63.33 O ATOM 1593 OD2 ASP A 104 -1.758 30.814 4.115 1.00 54.33 O ATOM 0 H ASP A 104 -4.411 26.699 3.749 1.00 34.42 H new ATOM 0 HA ASP A 104 -4.309 29.194 2.158 1.00 23.23 H new ATOM 0 HB2 ASP A 104 -3.029 28.682 4.502 1.00 42.51 H new ATOM 0 HB3 ASP A 104 -1.861 27.998 3.388 1.00 42.51 H new ATOM 1598 N LEU A 105 -3.198 26.202 1.485 1.00 2.05 N ATOM 1599 CA LEU A 105 -2.682 25.343 0.425 1.00 4.50 C ATOM 1600 C LEU A 105 -3.578 25.402 -0.808 1.00 30.23 C ATOM 1601 O LEU A 105 -3.245 26.052 -1.798 1.00 70.11 O ATOM 1602 CB LEU A 105 -2.569 23.900 0.920 1.00 44.43 C ATOM 1603 CG LEU A 105 -2.349 22.837 -0.157 1.00 3.12 C ATOM 1604 CD1 LEU A 105 -0.911 22.868 -0.651 1.00 61.54 C ATOM 1605 CD2 LEU A 105 -2.702 21.457 0.377 1.00 22.52 C ATOM 0 H LEU A 105 -3.505 25.703 2.320 1.00 2.05 H new ATOM 0 HA LEU A 105 -1.691 25.704 0.149 1.00 4.50 H new ATOM 0 HB2 LEU A 105 -1.745 23.844 1.631 1.00 44.43 H new ATOM 0 HB3 LEU A 105 -3.479 23.652 1.467 1.00 44.43 H new ATOM 0 HG LEU A 105 -3.005 23.058 -0.999 1.00 3.12 H new ATOM 0 HD11 LEU A 105 -0.773 22.105 -1.417 1.00 61.54 H new ATOM 0 HD12 LEU A 105 -0.692 23.849 -1.073 1.00 61.54 H new ATOM 0 HD13 LEU A 105 -0.236 22.672 0.182 1.00 61.54 H new ATOM 0 HD21 LEU A 105 -2.540 20.713 -0.403 1.00 22.52 H new ATOM 0 HD22 LEU A 105 -2.071 21.227 1.236 1.00 22.52 H new ATOM 0 HD23 LEU A 105 -3.749 21.441 0.681 1.00 22.52 H new ATOM 1617 N GLN A 106 -4.717 24.720 -0.738 1.00 24.32 N ATOM 1618 CA GLN A 106 -5.661 24.696 -1.848 1.00 75.41 C ATOM 1619 C GLN A 106 -5.885 26.098 -2.403 1.00 51.50 C ATOM 1620 O GLN A 106 -6.067 26.279 -3.606 1.00 73.42 O ATOM 1621 CB GLN A 106 -6.994 24.094 -1.398 1.00 61.35 C ATOM 1622 CG GLN A 106 -7.539 24.710 -0.120 1.00 73.32 C ATOM 1623 CD GLN A 106 -7.566 23.729 1.035 1.00 25.33 C ATOM 1624 OE1 GLN A 106 -8.526 22.978 1.205 1.00 33.44 O ATOM 1625 NE2 GLN A 106 -6.507 23.730 1.837 1.00 33.05 N ATOM 0 H GLN A 106 -5.008 24.177 0.075 1.00 24.32 H new ATOM 0 HA GLN A 106 -5.238 24.076 -2.638 1.00 75.41 H new ATOM 0 HB2 GLN A 106 -7.728 24.221 -2.194 1.00 61.35 H new ATOM 0 HB3 GLN A 106 -6.867 23.022 -1.249 1.00 61.35 H new ATOM 0 HG2 GLN A 106 -6.928 25.570 0.153 1.00 73.32 H new ATOM 0 HG3 GLN A 106 -8.548 25.080 -0.301 1.00 73.32 H new ATOM 0 HE21 GLN A 106 -5.733 24.370 1.659 1.00 33.05 H new ATOM 0 HE22 GLN A 106 -6.468 23.091 2.631 1.00 33.05 H new ATOM 1634 N ASN A 107 -5.870 27.089 -1.517 1.00 53.22 N ATOM 1635 CA ASN A 107 -6.073 28.477 -1.919 1.00 24.42 C ATOM 1636 C ASN A 107 -4.959 28.940 -2.853 1.00 10.41 C ATOM 1637 O ASN A 107 -5.186 29.746 -3.757 1.00 21.33 O ATOM 1638 CB ASN A 107 -6.131 29.383 -0.687 1.00 62.52 C ATOM 1639 CG ASN A 107 -5.919 30.844 -1.034 1.00 33.33 C ATOM 1640 OD1 ASN A 107 -4.660 31.252 -1.132 1.00 5.12 O flip ATOM 1641 ND2 ASN A 107 -6.878 31.596 -1.211 1.00 65.12 N flip ATOM 0 H ASN A 107 -5.720 26.957 -0.517 1.00 53.22 H new ATOM 0 HA ASN A 107 -7.021 28.541 -2.453 1.00 24.42 H new ATOM 0 HB2 ASN A 107 -7.098 29.265 -0.198 1.00 62.52 H new ATOM 0 HB3 ASN A 107 -5.371 29.068 0.028 1.00 62.52 H new ATOM 0 HD21 ASN A 107 -7.829 31.238 -1.125 1.00 65.12 H new ATOM 0 HD22 ASN A 107 -6.721 32.577 -1.443 1.00 65.12 H new ATOM 1648 N THR A 108 -3.754 28.426 -2.629 1.00 44.12 N ATOM 1649 CA THR A 108 -2.604 28.787 -3.449 1.00 54.24 C ATOM 1650 C THR A 108 -2.591 27.999 -4.754 1.00 63.21 C ATOM 1651 O THR A 108 -2.394 28.565 -5.830 1.00 33.21 O ATOM 1652 CB THR A 108 -1.281 28.542 -2.701 1.00 3.12 C ATOM 1653 OG1 THR A 108 -1.084 29.555 -1.708 1.00 53.43 O ATOM 1654 CG2 THR A 108 -0.106 28.537 -3.667 1.00 24.21 C ATOM 0 H THR A 108 -3.549 27.758 -1.886 1.00 44.12 H new ATOM 0 HA THR A 108 -2.695 29.850 -3.670 1.00 54.24 H new ATOM 0 HB THR A 108 -1.338 27.567 -2.218 1.00 3.12 H new ATOM 0 HG1 THR A 108 -1.610 29.338 -0.910 1.00 53.43 H new ATOM 0 HG21 THR A 108 0.818 28.362 -3.115 1.00 24.21 H new ATOM 0 HG22 THR A 108 -0.244 27.746 -4.404 1.00 24.21 H new ATOM 0 HG23 THR A 108 -0.049 29.500 -4.175 1.00 24.21 H new ATOM 1662 N ILE A 109 -2.801 26.691 -4.652 1.00 21.12 N ATOM 1663 CA ILE A 109 -2.814 25.826 -5.825 1.00 33.22 C ATOM 1664 C ILE A 109 -3.795 26.338 -6.874 1.00 74.51 C ATOM 1665 O ILE A 109 -3.618 26.108 -8.070 1.00 62.44 O ATOM 1666 CB ILE A 109 -3.187 24.378 -5.453 1.00 2.43 C ATOM 1667 CG1 ILE A 109 -1.989 23.667 -4.819 1.00 52.42 C ATOM 1668 CG2 ILE A 109 -3.669 23.623 -6.682 1.00 63.21 C ATOM 1669 CD1 ILE A 109 -1.928 23.810 -3.315 1.00 14.35 C ATOM 0 H ILE A 109 -2.964 26.207 -3.769 1.00 21.12 H new ATOM 0 HA ILE A 109 -1.805 25.838 -6.237 1.00 33.22 H new ATOM 0 HB ILE A 109 -3.998 24.402 -4.725 1.00 2.43 H new ATOM 0 HG12 ILE A 109 -2.029 22.608 -5.074 1.00 52.42 H new ATOM 0 HG13 ILE A 109 -1.071 24.064 -5.251 1.00 52.42 H new ATOM 0 HG21 ILE A 109 -3.929 22.602 -6.403 1.00 63.21 H new ATOM 0 HG22 ILE A 109 -4.547 24.121 -7.094 1.00 63.21 H new ATOM 0 HG23 ILE A 109 -2.877 23.604 -7.431 1.00 63.21 H new ATOM 0 HD11 ILE A 109 -1.054 23.281 -2.934 1.00 14.35 H new ATOM 0 HD12 ILE A 109 -1.856 24.865 -3.052 1.00 14.35 H new ATOM 0 HD13 ILE A 109 -2.830 23.386 -2.872 1.00 14.35 H new ATOM 1681 N VAL A 110 -4.831 27.035 -6.418 1.00 32.33 N ATOM 1682 CA VAL A 110 -5.840 27.582 -7.317 1.00 2.51 C ATOM 1683 C VAL A 110 -5.339 28.852 -7.996 1.00 13.31 C ATOM 1684 O VAL A 110 -5.764 29.187 -9.102 1.00 43.11 O ATOM 1685 CB VAL A 110 -7.149 27.896 -6.568 1.00 23.31 C ATOM 1686 CG1 VAL A 110 -7.702 26.640 -5.911 1.00 41.11 C ATOM 1687 CG2 VAL A 110 -6.923 28.991 -5.537 1.00 51.40 C ATOM 0 H VAL A 110 -4.993 27.234 -5.431 1.00 32.33 H new ATOM 0 HA VAL A 110 -6.036 26.822 -8.073 1.00 2.51 H new ATOM 0 HB VAL A 110 -7.884 28.254 -7.289 1.00 23.31 H new ATOM 0 HG11 VAL A 110 -8.627 26.881 -5.387 1.00 41.11 H new ATOM 0 HG12 VAL A 110 -7.903 25.888 -6.674 1.00 41.11 H new ATOM 0 HG13 VAL A 110 -6.973 26.250 -5.201 1.00 41.11 H new ATOM 0 HG21 VAL A 110 -7.858 29.200 -5.017 1.00 51.40 H new ATOM 0 HG22 VAL A 110 -6.173 28.664 -4.817 1.00 51.40 H new ATOM 0 HG23 VAL A 110 -6.576 29.895 -6.037 1.00 51.40 H new ATOM 1697 N LYS A 111 -4.433 29.557 -7.326 1.00 72.24 N ATOM 1698 CA LYS A 111 -3.872 30.790 -7.865 1.00 3.14 C ATOM 1699 C LYS A 111 -2.734 30.492 -8.836 1.00 21.52 C ATOM 1700 O LYS A 111 -2.466 31.270 -9.752 1.00 21.32 O ATOM 1701 CB LYS A 111 -3.366 31.683 -6.729 1.00 70.30 C ATOM 1702 CG LYS A 111 -1.859 31.637 -6.544 1.00 71.22 C ATOM 1703 CD LYS A 111 -1.462 31.976 -5.117 1.00 43.14 C ATOM 1704 CE LYS A 111 -1.014 33.424 -4.993 1.00 51.50 C ATOM 1705 NZ LYS A 111 -0.127 33.632 -3.815 1.00 61.41 N ATOM 0 H LYS A 111 -4.072 29.295 -6.409 1.00 72.24 H new ATOM 0 HA LYS A 111 -4.661 31.312 -8.407 1.00 3.14 H new ATOM 0 HB2 LYS A 111 -3.668 32.712 -6.925 1.00 70.30 H new ATOM 0 HB3 LYS A 111 -3.847 31.381 -5.799 1.00 70.30 H new ATOM 0 HG2 LYS A 111 -1.490 30.643 -6.799 1.00 71.22 H new ATOM 0 HG3 LYS A 111 -1.386 32.339 -7.231 1.00 71.22 H new ATOM 0 HD2 LYS A 111 -2.306 31.797 -4.451 1.00 43.14 H new ATOM 0 HD3 LYS A 111 -0.656 31.316 -4.796 1.00 43.14 H new ATOM 0 HE2 LYS A 111 -0.488 33.720 -5.900 1.00 51.50 H new ATOM 0 HE3 LYS A 111 -1.889 34.069 -4.907 1.00 51.50 H new ATOM 0 HZ1 LYS A 111 0.156 34.631 -3.766 1.00 61.41 H new ATOM 0 HZ2 LYS A 111 -0.637 33.374 -2.946 1.00 61.41 H new ATOM 0 HZ3 LYS A 111 0.720 33.036 -3.909 1.00 61.41 H new ATOM 1719 N HIS A 112 -2.068 29.359 -8.631 1.00 14.35 N ATOM 1720 CA HIS A 112 -0.961 28.957 -9.490 1.00 5.21 C ATOM 1721 C HIS A 112 -1.401 27.878 -10.475 1.00 3.14 C ATOM 1722 O HIS A 112 -1.122 27.964 -11.671 1.00 34.13 O ATOM 1723 CB HIS A 112 0.208 28.448 -8.646 1.00 23.20 C ATOM 1724 CG HIS A 112 0.655 29.417 -7.595 1.00 20.53 C ATOM 1725 ND1 HIS A 112 1.082 29.212 -6.327 1.00 44.25 N flip ATOM 1726 CD2 HIS A 112 0.693 30.780 -7.795 1.00 4.23 C flip ATOM 1727 CE1 HIS A 112 1.369 30.443 -5.790 1.00 73.31 C flip ATOM 1728 NE2 HIS A 112 1.127 31.373 -6.697 1.00 44.44 N flip ATOM 0 H HIS A 112 -2.276 28.704 -7.877 1.00 14.35 H new ATOM 0 HA HIS A 112 -0.637 29.830 -10.056 1.00 5.21 H new ATOM 0 HB2 HIS A 112 -0.081 27.513 -8.167 1.00 23.20 H new ATOM 0 HB3 HIS A 112 1.049 28.223 -9.303 1.00 23.20 H new ATOM 0 HD1 HIS A 112 1.174 28.311 -5.858 1.00 44.25 H new ATOM 0 HD2 HIS A 112 0.412 31.285 -8.707 1.00 4.23 H new ATOM 0 HE1 HIS A 112 1.733 30.622 -4.789 1.00 73.31 H new ATOM 1736 N VAL A 113 -2.089 26.862 -9.963 1.00 41.23 N ATOM 1737 CA VAL A 113 -2.568 25.766 -10.798 1.00 2.55 C ATOM 1738 C VAL A 113 -3.995 26.018 -11.269 1.00 54.32 C ATOM 1739 O VAL A 113 -4.389 25.583 -12.350 1.00 71.04 O ATOM 1740 CB VAL A 113 -2.517 24.424 -10.044 1.00 60.02 C ATOM 1741 CG1 VAL A 113 -2.589 23.260 -11.021 1.00 45.31 C ATOM 1742 CG2 VAL A 113 -1.260 24.339 -9.192 1.00 63.11 C ATOM 0 H VAL A 113 -2.327 26.775 -8.975 1.00 41.23 H new ATOM 0 HA VAL A 113 -1.907 25.714 -11.663 1.00 2.55 H new ATOM 0 HB VAL A 113 -3.381 24.366 -9.382 1.00 60.02 H new ATOM 0 HG11 VAL A 113 -2.552 22.320 -10.470 1.00 45.31 H new ATOM 0 HG12 VAL A 113 -3.521 23.314 -11.584 1.00 45.31 H new ATOM 0 HG13 VAL A 113 -1.746 23.311 -11.710 1.00 45.31 H new ATOM 0 HG21 VAL A 113 -1.241 23.384 -8.666 1.00 63.11 H new ATOM 0 HG22 VAL A 113 -0.381 24.419 -9.831 1.00 63.11 H new ATOM 0 HG23 VAL A 113 -1.256 25.153 -8.467 1.00 63.11 H new ATOM 1752 N GLY A 114 -4.768 26.726 -10.450 1.00 23.52 N ATOM 1753 CA GLY A 114 -6.144 27.024 -10.801 1.00 21.13 C ATOM 1754 C GLY A 114 -6.255 28.165 -11.793 1.00 30.43 C ATOM 1755 O GLY A 114 -7.328 28.417 -12.340 1.00 44.54 O ATOM 0 H GLY A 114 -4.465 27.098 -9.550 1.00 23.52 H new ATOM 0 HA2 GLY A 114 -6.609 26.133 -11.223 1.00 21.13 H new ATOM 0 HA3 GLY A 114 -6.700 27.276 -9.898 1.00 21.13 H new ATOM 1759 N ALA A 115 -5.144 28.856 -12.024 1.00 1.34 N ATOM 1760 CA ALA A 115 -5.121 29.976 -12.956 1.00 51.14 C ATOM 1761 C ALA A 115 -6.399 30.802 -12.854 1.00 4.45 C ATOM 1762 O ALA A 115 -6.928 31.275 -13.860 1.00 32.00 O ATOM 1763 CB ALA A 115 -4.929 29.474 -14.380 1.00 25.44 C ATOM 0 H ALA A 115 -4.248 28.660 -11.578 1.00 1.34 H new ATOM 0 HA ALA A 115 -4.281 30.619 -12.692 1.00 51.14 H new ATOM 0 HB1 ALA A 115 -4.914 30.321 -15.066 1.00 25.44 H new ATOM 0 HB2 ALA A 115 -3.985 28.933 -14.451 1.00 25.44 H new ATOM 0 HB3 ALA A 115 -5.750 28.808 -14.645 1.00 25.44 H new