USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 497 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 1 ALA N :NH3+ -167:sc= 1.37! (180deg=0.578) USER MOD Set 1.2: A 56 HIS : no HE2:sc= -0.373 K(o=0.99,f=-13!) USER MOD Set 2.1: A 31 GLN :FLIP amide:sc= 1.3 F(o=4.7,f=5.7) USER MOD Set 2.2: A 33 TYR OH : rot 169:sc= 2.14 USER MOD Set 2.3: A 70 LYS NZ :NH3+ -132:sc= 2.29 (180deg=0.355) USER MOD Set 3.1: A 24 CYS SG : rot 7:sc= 1.13 USER MOD Set 3.2: A 26 HIS : no HE2:sc= 1.05 K(o=2.2,f=-6.6!) USER MOD Single : A 2 TYR OH : rot -79:sc= 1.24 USER MOD Single : A 5 THR OG1 : rot -74:sc= 0.995 USER MOD Single : A 8 CYS SG : rot -20:sc= -0.0318 USER MOD Single : A 16 CYS SG : rot 151:sc= -0.409 USER MOD Single : A 20 CYS SG : rot 180:sc= 0.0264 USER MOD Single : A 32 TYR OH : rot -26:sc= 1.26 USER MOD Single : A 39 CYS SG : rot 150:sc= 0.269 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= 0.02 USER MOD Single : A 49 CYS SG : rot 170:sc= 0.238 USER MOD Single : A 52 SER OG : rot -85:sc= 1.15 USER MOD Single : A 55 TYR OH : rot 93:sc= 0.827 USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 3.56 (180deg=3.41) USER MOD Single : A 66 SER OG : rot 108:sc= 1.23 USER MOD Single : A 67 TYR OH : rot -131:sc= 1.3 USER MOD Single : A 69 GLN : amide:sc= 0.662 K(o=0.66,f=0) USER MOD Single : A 71 ASN : amide:sc= -2.36! C(o=-2.4!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.115 -4.523 9.013 1.00 0.00 N ATOM 2 CA ALA A 1 -1.343 -3.621 8.152 1.00 0.00 C ATOM 3 C ALA A 1 -2.177 -3.096 6.993 1.00 0.00 C ATOM 4 O ALA A 1 -3.038 -3.802 6.459 1.00 0.00 O ATOM 5 CB ALA A 1 -0.092 -4.303 7.633 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.596 -4.685 9.900 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.038 -4.094 9.226 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.259 -5.430 8.525 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.047 -2.769 8.764 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.462 -3.612 6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.534 -4.604 8.473 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.371 -5.184 7.055 1.00 0.00 H new ATOM 12 N TYR A 2 -1.888 -1.856 6.595 1.00 0.00 N ATOM 13 CA TYR A 2 -2.491 -1.191 5.459 1.00 0.00 C ATOM 14 C TYR A 2 -1.605 -1.403 4.243 1.00 0.00 C ATOM 15 O TYR A 2 -0.419 -1.084 4.269 1.00 0.00 O ATOM 16 CB TYR A 2 -2.695 0.282 5.784 1.00 0.00 C ATOM 17 CG TYR A 2 -3.941 0.532 6.605 1.00 0.00 C ATOM 18 CD1 TYR A 2 -5.187 0.631 5.959 1.00 0.00 C ATOM 19 CD2 TYR A 2 -3.862 0.703 7.998 1.00 0.00 C ATOM 20 CE1 TYR A 2 -6.309 1.083 6.672 1.00 0.00 C ATOM 21 CE2 TYR A 2 -4.985 1.167 8.704 1.00 0.00 C ATOM 22 CZ TYR A 2 -6.162 1.484 8.010 1.00 0.00 C ATOM 23 OH TYR A 2 -7.050 2.362 8.547 1.00 0.00 O ATOM 0 H TYR A 2 -1.203 -1.274 7.077 1.00 0.00 H new ATOM 0 HA TYR A 2 -3.472 -1.609 5.235 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.826 0.654 6.327 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -2.757 0.849 4.855 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -5.280 0.360 4.918 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -2.945 0.479 8.522 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.277 1.122 6.195 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -4.942 1.279 9.777 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.825 3.272 8.259 1.00 0.00 H new ATOM 33 N VAL A 3 -2.182 -2.002 3.204 1.00 0.00 N ATOM 34 CA VAL A 3 -1.461 -2.527 2.060 1.00 0.00 C ATOM 35 C VAL A 3 -2.101 -2.009 0.783 1.00 0.00 C ATOM 36 O VAL A 3 -3.227 -1.517 0.761 1.00 0.00 O ATOM 37 CB VAL A 3 -1.441 -4.064 2.113 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.232 -4.633 1.357 1.00 0.00 C ATOM 39 CG2 VAL A 3 -1.413 -4.593 3.552 1.00 0.00 C ATOM 0 H VAL A 3 -3.191 -2.136 3.138 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.425 -2.188 2.080 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.363 -4.394 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.247 -5.721 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.277 -4.323 0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.688 -4.259 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.400 -5.683 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.520 -4.225 4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.299 -4.247 4.084 1.00 0.00 H new ATOM 49 N ILE A 4 -1.330 -2.094 -0.290 1.00 0.00 N ATOM 50 CA ILE A 4 -1.734 -1.629 -1.592 1.00 0.00 C ATOM 51 C ILE A 4 -2.895 -2.470 -2.134 1.00 0.00 C ATOM 52 O ILE A 4 -3.141 -3.579 -1.661 1.00 0.00 O ATOM 53 CB ILE A 4 -0.485 -1.726 -2.495 1.00 0.00 C ATOM 54 CG1 ILE A 4 -0.363 -0.514 -3.423 1.00 0.00 C ATOM 55 CG2 ILE A 4 -0.436 -3.033 -3.270 1.00 0.00 C ATOM 56 CD1 ILE A 4 0.260 0.653 -2.653 1.00 0.00 C ATOM 0 H ILE A 4 -0.393 -2.496 -0.272 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.098 -0.602 -1.554 1.00 0.00 H new ATOM 0 HB ILE A 4 0.382 -1.719 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.252 -0.764 -4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.345 -0.231 -3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.460 -3.055 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.414 -3.870 -2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.319 -3.113 -3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.348 1.517 -3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.373 0.907 -1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.249 0.367 -2.296 1.00 0.00 H new ATOM 68 N THR A 5 -3.539 -1.986 -3.196 1.00 0.00 N ATOM 69 CA THR A 5 -4.319 -2.836 -4.081 1.00 0.00 C ATOM 70 C THR A 5 -3.985 -2.500 -5.540 1.00 0.00 C ATOM 71 O THR A 5 -2.981 -2.964 -6.085 1.00 0.00 O ATOM 72 CB THR A 5 -5.822 -2.688 -3.785 1.00 0.00 C ATOM 73 OG1 THR A 5 -6.185 -1.322 -3.757 1.00 0.00 O ATOM 74 CG2 THR A 5 -6.245 -3.310 -2.463 1.00 0.00 C ATOM 0 H THR A 5 -3.532 -1.001 -3.461 1.00 0.00 H new ATOM 0 HA THR A 5 -4.061 -3.881 -3.907 1.00 0.00 H new ATOM 0 HB THR A 5 -6.331 -3.220 -4.588 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.852 -0.912 -2.932 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.316 -3.168 -2.320 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.019 -4.376 -2.474 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.704 -2.832 -1.646 1.00 0.00 H new ATOM 82 N GLU A 6 -4.862 -1.702 -6.149 1.00 0.00 N ATOM 83 CA GLU A 6 -5.147 -1.692 -7.575 1.00 0.00 C ATOM 84 C GLU A 6 -5.412 -0.255 -8.064 1.00 0.00 C ATOM 85 O GLU A 6 -4.766 0.181 -9.011 1.00 0.00 O ATOM 86 CB GLU A 6 -6.280 -2.683 -7.838 1.00 0.00 C ATOM 87 CG GLU A 6 -6.747 -2.753 -9.299 1.00 0.00 C ATOM 88 CD GLU A 6 -5.997 -3.813 -10.097 1.00 0.00 C ATOM 89 OE1 GLU A 6 -4.817 -4.059 -9.767 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.625 -4.376 -11.017 1.00 0.00 O ATOM 0 H GLU A 6 -5.415 -1.016 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.290 -2.023 -8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.955 -3.676 -7.527 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.131 -2.415 -7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.815 -2.969 -9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.606 -1.780 -9.770 1.00 0.00 H new ATOM 97 N PRO A 7 -6.277 0.566 -7.441 1.00 0.00 N ATOM 98 CA PRO A 7 -6.347 1.970 -7.835 1.00 0.00 C ATOM 99 C PRO A 7 -4.987 2.702 -7.867 1.00 0.00 C ATOM 100 O PRO A 7 -4.867 3.719 -8.541 1.00 0.00 O ATOM 101 CB PRO A 7 -7.349 2.634 -6.891 1.00 0.00 C ATOM 102 CG PRO A 7 -8.218 1.486 -6.371 1.00 0.00 C ATOM 103 CD PRO A 7 -7.398 0.209 -6.576 1.00 0.00 C ATOM 0 HA PRO A 7 -6.674 2.034 -8.873 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.842 3.148 -6.074 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.949 3.380 -7.412 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.463 1.628 -5.318 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.162 1.435 -6.913 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.042 -0.180 -5.622 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.006 -0.572 -7.032 1.00 0.00 H new ATOM 111 N CYS A 8 -3.963 2.196 -7.166 1.00 0.00 N ATOM 112 CA CYS A 8 -2.609 2.743 -7.172 1.00 0.00 C ATOM 113 C CYS A 8 -1.909 2.642 -8.540 1.00 0.00 C ATOM 114 O CYS A 8 -1.018 3.455 -8.809 1.00 0.00 O ATOM 115 CB CYS A 8 -1.792 2.026 -6.121 1.00 0.00 C ATOM 116 SG CYS A 8 -0.073 2.579 -5.935 1.00 0.00 S ATOM 0 H CYS A 8 -4.061 1.376 -6.567 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.688 3.808 -6.952 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.295 2.137 -5.160 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.787 0.962 -6.357 1.00 0.00 H new ATOM 0 HG CYS A 8 0.303 3.199 -7.014 1.00 0.00 H new ATOM 121 N ILE A 9 -2.261 1.638 -9.371 1.00 0.00 N ATOM 122 CA ILE A 9 -1.472 1.201 -10.525 1.00 0.00 C ATOM 123 C ILE A 9 -0.872 2.393 -11.281 1.00 0.00 C ATOM 124 O ILE A 9 -1.594 3.279 -11.737 1.00 0.00 O ATOM 125 CB ILE A 9 -2.273 0.243 -11.433 1.00 0.00 C ATOM 126 CG1 ILE A 9 -2.636 -1.117 -10.794 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.558 -0.049 -12.763 1.00 0.00 C ATOM 128 CD1 ILE A 9 -1.525 -2.125 -10.520 1.00 0.00 C ATOM 0 H ILE A 9 -3.121 1.103 -9.249 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.626 0.623 -10.153 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.197 0.797 -11.602 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.136 -0.913 -9.847 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.367 -1.601 -11.442 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.166 -0.728 -13.362 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.410 0.883 -13.309 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.591 -0.510 -12.563 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.951 -3.023 -10.071 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.032 -2.386 -11.456 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.797 -1.688 -9.836 1.00 0.00 H new ATOM 140 N GLY A 10 0.460 2.421 -11.363 1.00 0.00 N ATOM 141 CA GLY A 10 1.198 3.452 -12.075 1.00 0.00 C ATOM 142 C GLY A 10 1.589 4.614 -11.169 1.00 0.00 C ATOM 143 O GLY A 10 2.029 5.648 -11.665 1.00 0.00 O ATOM 0 H GLY A 10 1.058 1.718 -10.930 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.097 3.016 -12.512 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.592 3.826 -12.900 1.00 0.00 H new ATOM 216 N CYS A 16 2.710 7.856 -1.276 1.00 0.00 N ATOM 217 CA CYS A 16 2.486 7.625 0.144 1.00 0.00 C ATOM 218 C CYS A 16 3.828 7.490 0.888 1.00 0.00 C ATOM 219 O CYS A 16 3.865 7.160 2.073 1.00 0.00 O ATOM 220 CB CYS A 16 1.585 6.417 0.313 1.00 0.00 C ATOM 221 SG CYS A 16 1.854 5.004 -0.796 1.00 0.00 S ATOM 0 HA CYS A 16 1.979 8.479 0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.687 6.063 1.339 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.554 6.748 0.191 1.00 0.00 H new ATOM 0 HG CYS A 16 1.502 3.907 -0.194 1.00 0.00 H new ATOM 226 N VAL A 17 4.944 7.786 0.214 1.00 0.00 N ATOM 227 CA VAL A 17 6.262 7.863 0.832 1.00 0.00 C ATOM 228 C VAL A 17 6.336 9.069 1.790 1.00 0.00 C ATOM 229 O VAL A 17 5.500 9.972 1.721 1.00 0.00 O ATOM 230 CB VAL A 17 7.317 7.887 -0.293 1.00 0.00 C ATOM 231 CG1 VAL A 17 7.340 9.220 -1.054 1.00 0.00 C ATOM 232 CG2 VAL A 17 8.725 7.538 0.204 1.00 0.00 C ATOM 0 H VAL A 17 4.952 7.980 -0.787 1.00 0.00 H new ATOM 0 HA VAL A 17 6.464 6.991 1.455 1.00 0.00 H new ATOM 0 HB VAL A 17 7.006 7.107 -0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.101 9.181 -1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.365 9.397 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.571 10.030 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.424 7.571 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.032 8.258 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.721 6.537 0.635 1.00 0.00 H new ATOM 242 N GLU A 18 7.306 9.074 2.710 1.00 0.00 N ATOM 243 CA GLU A 18 7.691 10.108 3.662 1.00 0.00 C ATOM 244 C GLU A 18 6.691 10.292 4.805 1.00 0.00 C ATOM 245 O GLU A 18 7.087 10.555 5.940 1.00 0.00 O ATOM 246 CB GLU A 18 8.022 11.422 2.949 1.00 0.00 C ATOM 247 CG GLU A 18 9.388 11.382 2.254 1.00 0.00 C ATOM 248 CD GLU A 18 9.710 12.718 1.596 1.00 0.00 C ATOM 249 OE1 GLU A 18 9.870 13.697 2.355 1.00 0.00 O ATOM 250 OE2 GLU A 18 9.783 12.738 0.349 1.00 0.00 O ATOM 0 H GLU A 18 7.906 8.256 2.813 1.00 0.00 H new ATOM 0 HA GLU A 18 8.603 9.758 4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.248 11.637 2.212 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.009 12.238 3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.162 11.136 2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.394 10.593 1.502 1.00 0.00 H new ATOM 257 N VAL A 19 5.396 10.174 4.524 1.00 0.00 N ATOM 258 CA VAL A 19 4.359 10.412 5.524 1.00 0.00 C ATOM 259 C VAL A 19 4.307 9.288 6.567 1.00 0.00 C ATOM 260 O VAL A 19 3.906 9.522 7.706 1.00 0.00 O ATOM 261 CB VAL A 19 2.989 10.662 4.865 1.00 0.00 C ATOM 262 CG1 VAL A 19 3.065 11.825 3.866 1.00 0.00 C ATOM 263 CG2 VAL A 19 2.437 9.413 4.171 1.00 0.00 C ATOM 0 H VAL A 19 5.038 9.913 3.605 1.00 0.00 H new ATOM 0 HA VAL A 19 4.623 11.323 6.061 1.00 0.00 H new ATOM 0 HB VAL A 19 2.301 10.924 5.669 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.085 11.981 3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.374 12.732 4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.790 11.589 3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.470 9.643 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.130 9.092 3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.317 8.614 4.902 1.00 0.00 H new ATOM 273 N CYS A 20 4.678 8.062 6.183 1.00 0.00 N ATOM 274 CA CYS A 20 4.569 6.896 7.046 1.00 0.00 C ATOM 275 C CYS A 20 5.596 6.956 8.193 1.00 0.00 C ATOM 276 O CYS A 20 6.795 7.048 7.933 1.00 0.00 O ATOM 277 CB CYS A 20 4.727 5.649 6.214 1.00 0.00 C ATOM 278 SG CYS A 20 4.832 4.080 7.114 1.00 0.00 S ATOM 0 H CYS A 20 5.063 7.857 5.261 1.00 0.00 H new ATOM 0 HA CYS A 20 3.584 6.881 7.512 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.885 5.590 5.525 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.627 5.755 5.609 1.00 0.00 H new ATOM 0 HG CYS A 20 4.963 3.102 6.268 1.00 0.00 H new ATOM 283 N PRO A 21 5.159 6.883 9.467 1.00 0.00 N ATOM 284 CA PRO A 21 6.040 6.867 10.630 1.00 0.00 C ATOM 285 C PRO A 21 7.198 5.872 10.524 1.00 0.00 C ATOM 286 O PRO A 21 8.290 6.140 11.018 1.00 0.00 O ATOM 287 CB PRO A 21 5.141 6.507 11.817 1.00 0.00 C ATOM 288 CG PRO A 21 3.785 7.070 11.408 1.00 0.00 C ATOM 289 CD PRO A 21 3.768 6.850 9.898 1.00 0.00 C ATOM 0 HA PRO A 21 6.523 7.839 10.732 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.098 5.430 11.978 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.500 6.954 12.744 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.965 6.548 11.902 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.692 8.125 11.664 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.306 5.895 9.649 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.187 7.625 9.398 1.00 0.00 H new ATOM 297 N VAL A 22 6.938 4.709 9.921 1.00 0.00 N ATOM 298 CA VAL A 22 7.895 3.625 9.762 1.00 0.00 C ATOM 299 C VAL A 22 8.134 3.398 8.271 1.00 0.00 C ATOM 300 O VAL A 22 8.064 2.259 7.818 1.00 0.00 O ATOM 301 CB VAL A 22 7.382 2.360 10.487 1.00 0.00 C ATOM 302 CG1 VAL A 22 7.369 2.591 12.003 1.00 0.00 C ATOM 303 CG2 VAL A 22 5.983 1.912 10.027 1.00 0.00 C ATOM 0 H VAL A 22 6.025 4.495 9.519 1.00 0.00 H new ATOM 0 HA VAL A 22 8.851 3.880 10.219 1.00 0.00 H new ATOM 0 HB VAL A 22 8.074 1.559 10.226 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.006 1.694 12.505 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.379 2.815 12.346 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.712 3.429 12.238 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.687 1.019 10.578 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.265 2.710 10.217 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.005 1.689 8.960 1.00 0.00 H new ATOM 313 N ASP A 23 8.383 4.483 7.520 1.00 0.00 N ATOM 314 CA ASP A 23 8.461 4.442 6.063 1.00 0.00 C ATOM 315 C ASP A 23 9.220 3.225 5.541 1.00 0.00 C ATOM 316 O ASP A 23 10.440 3.121 5.672 1.00 0.00 O ATOM 317 CB ASP A 23 8.963 5.735 5.450 1.00 0.00 C ATOM 318 CG ASP A 23 8.751 5.781 3.935 1.00 0.00 C ATOM 319 OD1 ASP A 23 8.625 4.700 3.317 1.00 0.00 O ATOM 320 OD2 ASP A 23 8.699 6.911 3.409 1.00 0.00 O ATOM 0 H ASP A 23 8.535 5.412 7.913 1.00 0.00 H new ATOM 0 HA ASP A 23 7.430 4.331 5.728 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.448 6.577 5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.024 5.850 5.670 1.00 0.00 H new ATOM 325 N CYS A 24 8.453 2.311 4.954 1.00 0.00 N ATOM 326 CA CYS A 24 8.945 1.181 4.200 1.00 0.00 C ATOM 327 C CYS A 24 8.110 1.097 2.923 1.00 0.00 C ATOM 328 O CYS A 24 7.700 0.011 2.503 1.00 0.00 O ATOM 329 CB CYS A 24 8.846 -0.064 5.081 1.00 0.00 C ATOM 330 SG CYS A 24 9.974 -1.336 4.480 1.00 0.00 S ATOM 0 H CYS A 24 7.434 2.346 4.997 1.00 0.00 H new ATOM 0 HA CYS A 24 9.992 1.277 3.911 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.088 0.190 6.113 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.824 -0.442 5.077 1.00 0.00 H new ATOM 0 HG CYS A 24 10.712 -0.847 3.528 1.00 0.00 H new ATOM 336 N ILE A 25 7.816 2.271 2.342 1.00 0.00 N ATOM 337 CA ILE A 25 7.124 2.408 1.072 1.00 0.00 C ATOM 338 C ILE A 25 8.182 2.237 -0.009 1.00 0.00 C ATOM 339 O ILE A 25 9.223 2.895 0.015 1.00 0.00 O ATOM 340 CB ILE A 25 6.378 3.757 0.961 1.00 0.00 C ATOM 341 CG1 ILE A 25 5.080 3.770 1.782 1.00 0.00 C ATOM 342 CG2 ILE A 25 5.967 4.044 -0.494 1.00 0.00 C ATOM 343 CD1 ILE A 25 5.265 3.685 3.298 1.00 0.00 C ATOM 0 H ILE A 25 8.064 3.167 2.761 1.00 0.00 H new ATOM 0 HA ILE A 25 6.344 1.654 0.968 1.00 0.00 H new ATOM 0 HB ILE A 25 7.074 4.507 1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.532 4.683 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.458 2.934 1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.444 4.999 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.857 4.085 -1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.309 3.251 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.290 3.701 3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.781 2.759 3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.856 4.534 3.641 1.00 0.00 H new ATOM 355 N HIS A 26 7.940 1.318 -0.939 1.00 0.00 N ATOM 356 CA HIS A 26 8.887 0.954 -1.969 1.00 0.00 C ATOM 357 C HIS A 26 8.182 0.875 -3.314 1.00 0.00 C ATOM 358 O HIS A 26 6.962 0.988 -3.378 1.00 0.00 O ATOM 359 CB HIS A 26 9.457 -0.394 -1.564 1.00 0.00 C ATOM 360 CG HIS A 26 10.351 -0.314 -0.356 1.00 0.00 C ATOM 361 ND1 HIS A 26 11.378 0.584 -0.163 1.00 0.00 N ATOM 362 CD2 HIS A 26 10.186 -1.013 0.807 1.00 0.00 C ATOM 363 CE1 HIS A 26 11.835 0.410 1.088 1.00 0.00 C ATOM 364 NE2 HIS A 26 11.146 -0.556 1.713 1.00 0.00 N ATOM 0 H HIS A 26 7.063 0.801 -0.992 1.00 0.00 H new ATOM 0 HA HIS A 26 9.684 1.691 -2.070 1.00 0.00 H new ATOM 0 HB2 HIS A 26 8.637 -1.082 -1.358 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.020 -0.810 -2.399 1.00 0.00 H new ATOM 0 HD1 HIS A 26 11.727 1.257 -0.845 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.448 -1.779 0.992 1.00 0.00 H new ATOM 0 HE1 HIS A 26 12.646 0.971 1.530 1.00 0.00 H new ATOM 372 N GLU A 27 8.941 0.679 -4.390 1.00 0.00 N ATOM 373 CA GLU A 27 8.394 0.622 -5.733 1.00 0.00 C ATOM 374 C GLU A 27 8.180 -0.831 -6.161 1.00 0.00 C ATOM 375 O GLU A 27 8.838 -1.734 -5.645 1.00 0.00 O ATOM 376 CB GLU A 27 9.338 1.347 -6.702 1.00 0.00 C ATOM 377 CG GLU A 27 9.897 2.655 -6.125 1.00 0.00 C ATOM 378 CD GLU A 27 10.652 3.438 -7.190 1.00 0.00 C ATOM 379 OE1 GLU A 27 11.785 3.015 -7.500 1.00 0.00 O ATOM 380 OE2 GLU A 27 10.079 4.437 -7.677 1.00 0.00 O ATOM 0 H GLU A 27 9.953 0.556 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 27 7.425 1.120 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.166 0.686 -6.958 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.805 1.563 -7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.081 3.262 -5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.562 2.434 -5.290 1.00 0.00 H new ATOM 387 N GLY A 28 7.273 -1.049 -7.115 1.00 0.00 N ATOM 388 CA GLY A 28 7.059 -2.327 -7.772 1.00 0.00 C ATOM 389 C GLY A 28 7.288 -2.204 -9.273 1.00 0.00 C ATOM 390 O GLY A 28 7.886 -1.238 -9.740 1.00 0.00 O ATOM 0 H GLY A 28 6.652 -0.316 -7.457 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.735 -3.074 -7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.044 -2.675 -7.581 1.00 0.00 H new ATOM 394 N GLU A 29 6.791 -3.194 -10.019 1.00 0.00 N ATOM 395 CA GLU A 29 6.811 -3.264 -11.464 1.00 0.00 C ATOM 396 C GLU A 29 6.372 -1.936 -12.087 1.00 0.00 C ATOM 397 O GLU A 29 7.090 -1.339 -12.885 1.00 0.00 O ATOM 398 CB GLU A 29 5.855 -4.393 -11.891 1.00 0.00 C ATOM 399 CG GLU A 29 6.247 -5.795 -11.389 1.00 0.00 C ATOM 400 CD GLU A 29 5.550 -6.173 -10.090 1.00 0.00 C ATOM 401 OE1 GLU A 29 5.861 -5.526 -9.067 1.00 0.00 O ATOM 402 OE2 GLU A 29 4.659 -7.052 -10.112 1.00 0.00 O ATOM 0 H GLU A 29 6.342 -4.007 -9.598 1.00 0.00 H new ATOM 0 HA GLU A 29 7.825 -3.465 -11.810 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.854 -4.159 -11.528 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.803 -4.414 -12.980 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.003 -6.531 -12.155 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.326 -5.834 -11.242 1.00 0.00 H new ATOM 409 N ASP A 30 5.150 -1.537 -11.733 1.00 0.00 N ATOM 410 CA ASP A 30 4.442 -0.377 -12.253 1.00 0.00 C ATOM 411 C ASP A 30 3.952 0.491 -11.088 1.00 0.00 C ATOM 412 O ASP A 30 4.278 1.671 -10.972 1.00 0.00 O ATOM 413 CB ASP A 30 3.278 -0.902 -13.098 1.00 0.00 C ATOM 414 CG ASP A 30 2.487 0.247 -13.676 1.00 0.00 C ATOM 415 OD1 ASP A 30 2.883 0.754 -14.745 1.00 0.00 O ATOM 416 OD2 ASP A 30 1.494 0.590 -13.007 1.00 0.00 O ATOM 0 H ASP A 30 4.602 -2.045 -11.038 1.00 0.00 H new ATOM 0 HA ASP A 30 5.088 0.248 -12.869 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.659 -1.531 -13.903 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.628 -1.527 -12.485 1.00 0.00 H new ATOM 421 N GLN A 31 3.170 -0.131 -10.204 1.00 0.00 N ATOM 422 CA GLN A 31 2.691 0.464 -8.966 1.00 0.00 C ATOM 423 C GLN A 31 3.790 0.498 -7.899 1.00 0.00 C ATOM 424 O GLN A 31 4.884 -0.033 -8.098 1.00 0.00 O ATOM 425 CB GLN A 31 1.476 -0.340 -8.492 1.00 0.00 C ATOM 426 CG GLN A 31 1.843 -1.731 -7.968 1.00 0.00 C ATOM 427 CD GLN A 31 0.639 -2.609 -7.627 1.00 0.00 C ATOM 428 OE1 GLN A 31 -0.387 -2.058 -6.977 1.00 0.00 O flip ATOM 429 NE2 GLN A 31 0.647 -3.795 -7.942 1.00 0.00 N flip ATOM 0 H GLN A 31 2.846 -1.089 -10.338 1.00 0.00 H new ATOM 0 HA GLN A 31 2.403 1.500 -9.142 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.965 0.215 -7.705 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.772 -0.443 -9.318 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.450 -2.241 -8.716 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.462 -1.620 -7.077 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.448 -4.185 -8.439 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.147 -4.390 -7.707 1.00 0.00 H new ATOM 438 N TYR A 32 3.467 1.073 -6.739 1.00 0.00 N ATOM 439 CA TYR A 32 4.302 1.020 -5.546 1.00 0.00 C ATOM 440 C TYR A 32 3.745 -0.012 -4.560 1.00 0.00 C ATOM 441 O TYR A 32 2.654 -0.540 -4.759 1.00 0.00 O ATOM 442 CB TYR A 32 4.368 2.408 -4.893 1.00 0.00 C ATOM 443 CG TYR A 32 5.340 3.422 -5.478 1.00 0.00 C ATOM 444 CD1 TYR A 32 5.857 3.303 -6.785 1.00 0.00 C ATOM 445 CD2 TYR A 32 5.759 4.495 -4.668 1.00 0.00 C ATOM 446 CE1 TYR A 32 6.825 4.209 -7.249 1.00 0.00 C ATOM 447 CE2 TYR A 32 6.696 5.425 -5.149 1.00 0.00 C ATOM 448 CZ TYR A 32 7.250 5.266 -6.429 1.00 0.00 C ATOM 449 OH TYR A 32 8.252 6.093 -6.836 1.00 0.00 O ATOM 0 H TYR A 32 2.602 1.597 -6.604 1.00 0.00 H new ATOM 0 HA TYR A 32 5.311 0.719 -5.828 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.369 2.843 -4.929 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.619 2.272 -3.841 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.507 2.512 -7.432 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.358 4.604 -3.671 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.243 4.092 -8.238 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.990 6.262 -4.534 1.00 0.00 H new ATOM 0 HH TYR A 32 8.832 5.618 -7.467 1.00 0.00 H new ATOM 459 N TYR A 33 4.508 -0.290 -3.501 1.00 0.00 N ATOM 460 CA TYR A 33 4.157 -1.170 -2.394 1.00 0.00 C ATOM 461 C TYR A 33 4.509 -0.542 -1.053 1.00 0.00 C ATOM 462 O TYR A 33 5.212 0.463 -0.974 1.00 0.00 O ATOM 463 CB TYR A 33 4.960 -2.471 -2.500 1.00 0.00 C ATOM 464 CG TYR A 33 4.710 -3.262 -3.755 1.00 0.00 C ATOM 465 CD1 TYR A 33 3.391 -3.437 -4.190 1.00 0.00 C ATOM 466 CD2 TYR A 33 5.773 -3.751 -4.528 1.00 0.00 C ATOM 467 CE1 TYR A 33 3.121 -4.005 -5.436 1.00 0.00 C ATOM 468 CE2 TYR A 33 5.499 -4.352 -5.765 1.00 0.00 C ATOM 469 CZ TYR A 33 4.184 -4.400 -6.253 1.00 0.00 C ATOM 470 OH TYR A 33 3.926 -4.804 -7.524 1.00 0.00 O ATOM 0 H TYR A 33 5.437 0.117 -3.391 1.00 0.00 H new ATOM 0 HA TYR A 33 3.084 -1.351 -2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.022 -2.233 -2.442 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.727 -3.097 -1.639 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.574 -3.129 -3.555 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.790 -3.666 -4.175 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.101 -4.138 -5.765 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.304 -4.780 -6.345 1.00 0.00 H new ATOM 0 HH TYR A 33 4.768 -4.884 -8.019 1.00 0.00 H new ATOM 480 N ILE A 34 4.061 -1.220 0.001 1.00 0.00 N ATOM 481 CA ILE A 34 4.381 -0.953 1.395 1.00 0.00 C ATOM 482 C ILE A 34 4.789 -2.303 1.970 1.00 0.00 C ATOM 483 O ILE A 34 4.099 -3.281 1.686 1.00 0.00 O ATOM 484 CB ILE A 34 3.106 -0.471 2.125 1.00 0.00 C ATOM 485 CG1 ILE A 34 2.594 0.880 1.600 1.00 0.00 C ATOM 486 CG2 ILE A 34 3.300 -0.388 3.649 1.00 0.00 C ATOM 487 CD1 ILE A 34 1.065 0.933 1.552 1.00 0.00 C ATOM 0 H ILE A 34 3.430 -2.014 -0.104 1.00 0.00 H new ATOM 0 HA ILE A 34 5.157 -0.195 1.503 1.00 0.00 H new ATOM 0 HB ILE A 34 2.353 -1.229 1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.965 1.682 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.995 1.057 0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.376 -0.045 4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.558 -1.373 4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.103 0.313 3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.746 1.905 1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.694 0.149 0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.664 0.783 2.554 1.00 0.00 H new ATOM 499 N ASP A 35 5.848 -2.397 2.779 1.00 0.00 N ATOM 500 CA ASP A 35 6.042 -3.608 3.567 1.00 0.00 C ATOM 501 C ASP A 35 4.959 -3.689 4.656 1.00 0.00 C ATOM 502 O ASP A 35 4.926 -2.833 5.544 1.00 0.00 O ATOM 503 CB ASP A 35 7.438 -3.682 4.178 1.00 0.00 C ATOM 504 CG ASP A 35 7.597 -5.011 4.905 1.00 0.00 C ATOM 505 OD1 ASP A 35 6.850 -5.206 5.889 1.00 0.00 O ATOM 506 OD2 ASP A 35 8.406 -5.833 4.432 1.00 0.00 O ATOM 0 H ASP A 35 6.559 -1.675 2.901 1.00 0.00 H new ATOM 0 HA ASP A 35 5.951 -4.465 2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.194 -3.587 3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.589 -2.854 4.871 1.00 0.00 H new ATOM 511 N PRO A 36 4.061 -4.687 4.613 1.00 0.00 N ATOM 512 CA PRO A 36 2.925 -4.734 5.512 1.00 0.00 C ATOM 513 C PRO A 36 3.270 -5.464 6.813 1.00 0.00 C ATOM 514 O PRO A 36 2.397 -5.645 7.650 1.00 0.00 O ATOM 515 CB PRO A 36 1.872 -5.506 4.721 1.00 0.00 C ATOM 516 CG PRO A 36 2.724 -6.571 4.043 1.00 0.00 C ATOM 517 CD PRO A 36 4.024 -5.832 3.710 1.00 0.00 C ATOM 0 HA PRO A 36 2.591 -3.741 5.814 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.110 -5.941 5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.355 -4.873 4.000 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.903 -7.421 4.702 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.242 -6.959 3.146 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.891 -6.476 3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.038 -5.511 2.668 1.00 0.00 H new ATOM 525 N ASP A 37 4.504 -5.931 6.992 1.00 0.00 N ATOM 526 CA ASP A 37 4.948 -6.542 8.220 1.00 0.00 C ATOM 527 C ASP A 37 5.656 -5.475 9.064 1.00 0.00 C ATOM 528 O ASP A 37 5.629 -5.536 10.292 1.00 0.00 O ATOM 529 CB ASP A 37 5.796 -7.748 7.849 1.00 0.00 C ATOM 530 CG ASP A 37 5.011 -9.057 7.786 1.00 0.00 C ATOM 531 OD1 ASP A 37 3.787 -9.004 7.505 1.00 0.00 O ATOM 532 OD2 ASP A 37 5.644 -10.118 7.963 1.00 0.00 O ATOM 0 H ASP A 37 5.225 -5.890 6.272 1.00 0.00 H new ATOM 0 HA ASP A 37 4.135 -6.915 8.843 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.263 -7.568 6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.601 -7.852 8.577 1.00 0.00 H new ATOM 537 N VAL A 38 6.243 -4.463 8.414 1.00 0.00 N ATOM 538 CA VAL A 38 6.766 -3.272 9.060 1.00 0.00 C ATOM 539 C VAL A 38 5.620 -2.363 9.509 1.00 0.00 C ATOM 540 O VAL A 38 5.663 -1.844 10.624 1.00 0.00 O ATOM 541 CB VAL A 38 7.718 -2.539 8.102 1.00 0.00 C ATOM 542 CG1 VAL A 38 8.026 -1.127 8.613 1.00 0.00 C ATOM 543 CG2 VAL A 38 9.023 -3.328 7.935 1.00 0.00 C ATOM 0 H VAL A 38 6.366 -4.458 7.401 1.00 0.00 H new ATOM 0 HA VAL A 38 7.328 -3.560 9.949 1.00 0.00 H new ATOM 0 HB VAL A 38 7.224 -2.459 7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.702 -0.628 7.918 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.100 -0.558 8.690 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.496 -1.190 9.594 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.686 -2.795 7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.510 -3.436 8.904 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.802 -4.315 7.528 1.00 0.00 H new ATOM 553 N CYS A 39 4.635 -2.113 8.636 1.00 0.00 N ATOM 554 CA CYS A 39 3.530 -1.209 8.954 1.00 0.00 C ATOM 555 C CYS A 39 2.898 -1.562 10.310 1.00 0.00 C ATOM 556 O CYS A 39 2.485 -2.695 10.545 1.00 0.00 O ATOM 557 CB CYS A 39 2.492 -1.253 7.868 1.00 0.00 C ATOM 558 SG CYS A 39 0.962 -0.337 8.242 1.00 0.00 S ATOM 0 H CYS A 39 4.584 -2.526 7.705 1.00 0.00 H new ATOM 0 HA CYS A 39 3.930 -0.197 9.021 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.926 -0.851 6.953 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.237 -2.294 7.669 1.00 0.00 H new ATOM 0 HG CYS A 39 0.442 0.109 7.137 1.00 0.00 H new ATOM 563 N ILE A 40 2.831 -0.578 11.210 1.00 0.00 N ATOM 564 CA ILE A 40 2.402 -0.766 12.593 1.00 0.00 C ATOM 565 C ILE A 40 0.875 -0.745 12.778 1.00 0.00 C ATOM 566 O ILE A 40 0.416 -0.763 13.918 1.00 0.00 O ATOM 567 CB ILE A 40 3.075 0.295 13.474 1.00 0.00 C ATOM 568 CG1 ILE A 40 2.808 1.717 12.948 1.00 0.00 C ATOM 569 CG2 ILE A 40 4.581 0.038 13.609 1.00 0.00 C ATOM 570 CD1 ILE A 40 2.361 2.626 14.088 1.00 0.00 C ATOM 0 H ILE A 40 3.078 0.387 10.992 1.00 0.00 H new ATOM 0 HA ILE A 40 2.714 -1.765 12.896 1.00 0.00 H new ATOM 0 HB ILE A 40 2.631 0.217 14.467 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.711 2.117 12.487 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.041 1.688 12.174 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.026 0.808 14.239 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.744 -0.940 14.061 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.044 0.064 12.623 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.176 3.629 13.703 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.446 2.232 14.530 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.142 2.668 14.847 1.00 0.00 H new ATOM 582 N ASP A 41 0.105 -0.672 11.685 1.00 0.00 N ATOM 583 CA ASP A 41 -1.339 -0.447 11.662 1.00 0.00 C ATOM 584 C ASP A 41 -1.640 0.901 12.312 1.00 0.00 C ATOM 585 O ASP A 41 -1.966 0.987 13.494 1.00 0.00 O ATOM 586 CB ASP A 41 -2.152 -1.587 12.302 1.00 0.00 C ATOM 587 CG ASP A 41 -2.432 -2.742 11.361 1.00 0.00 C ATOM 588 OD1 ASP A 41 -3.008 -2.522 10.268 1.00 0.00 O ATOM 589 OD2 ASP A 41 -2.083 -3.887 11.700 1.00 0.00 O ATOM 0 H ASP A 41 0.495 -0.774 10.748 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.658 -0.433 10.620 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.612 -1.962 13.172 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.099 -1.187 12.663 1.00 0.00 H new ATOM 594 N CYS A 42 -1.526 1.959 11.508 1.00 0.00 N ATOM 595 CA CYS A 42 -1.804 3.326 11.910 1.00 0.00 C ATOM 596 C CYS A 42 -2.769 3.931 10.890 1.00 0.00 C ATOM 597 O CYS A 42 -3.110 3.260 9.920 1.00 0.00 O ATOM 598 CB CYS A 42 -0.508 4.088 12.029 1.00 0.00 C ATOM 599 SG CYS A 42 0.045 5.017 10.579 1.00 0.00 S ATOM 0 H CYS A 42 -1.230 1.880 10.535 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.279 3.372 12.890 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.602 4.786 12.861 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.277 3.380 12.295 1.00 0.00 H new ATOM 0 HG CYS A 42 1.168 5.613 10.848 1.00 0.00 H new ATOM 604 N GLY A 43 -3.214 5.170 11.103 1.00 0.00 N ATOM 605 CA GLY A 43 -4.058 5.888 10.158 1.00 0.00 C ATOM 606 C GLY A 43 -3.372 7.197 9.787 1.00 0.00 C ATOM 607 O GLY A 43 -3.074 7.995 10.676 1.00 0.00 O ATOM 0 H GLY A 43 -2.995 5.704 11.944 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.226 5.284 9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.035 6.085 10.598 1.00 0.00 H new ATOM 611 N ALA A 44 -3.111 7.409 8.495 1.00 0.00 N ATOM 612 CA ALA A 44 -2.467 8.586 7.924 1.00 0.00 C ATOM 613 C ALA A 44 -2.376 8.410 6.406 1.00 0.00 C ATOM 614 O ALA A 44 -2.900 9.213 5.630 1.00 0.00 O ATOM 615 CB ALA A 44 -1.063 8.785 8.519 1.00 0.00 C ATOM 0 H ALA A 44 -3.359 6.723 7.782 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.059 9.470 8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.603 9.669 8.078 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.141 8.917 9.598 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.449 7.910 8.303 1.00 0.00 H new ATOM 621 N CYS A 45 -1.678 7.353 5.992 1.00 0.00 N ATOM 622 CA CYS A 45 -1.353 7.073 4.604 1.00 0.00 C ATOM 623 C CYS A 45 -2.615 6.912 3.747 1.00 0.00 C ATOM 624 O CYS A 45 -2.697 7.493 2.665 1.00 0.00 O ATOM 625 CB CYS A 45 -0.399 5.905 4.542 1.00 0.00 C ATOM 626 SG CYS A 45 -1.003 4.356 5.261 1.00 0.00 S ATOM 0 H CYS A 45 -1.315 6.651 6.636 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.838 7.926 4.162 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.143 5.724 3.498 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.523 6.185 5.052 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.091 3.437 5.141 1.00 0.00 H new ATOM 631 N GLU A 46 -3.635 6.199 4.234 1.00 0.00 N ATOM 632 CA GLU A 46 -4.876 6.005 3.493 1.00 0.00 C ATOM 633 C GLU A 46 -5.589 7.337 3.272 1.00 0.00 C ATOM 634 O GLU A 46 -6.199 7.553 2.225 1.00 0.00 O ATOM 635 CB GLU A 46 -5.832 5.008 4.178 1.00 0.00 C ATOM 636 CG GLU A 46 -5.262 4.189 5.344 1.00 0.00 C ATOM 637 CD GLU A 46 -5.272 4.961 6.655 1.00 0.00 C ATOM 638 OE1 GLU A 46 -4.477 5.923 6.741 1.00 0.00 O ATOM 639 OE2 GLU A 46 -6.083 4.591 7.534 1.00 0.00 O ATOM 0 H GLU A 46 -3.620 5.745 5.147 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.595 5.578 2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.696 5.563 4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.196 4.313 3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.843 3.274 5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.240 3.890 5.109 1.00 0.00 H new ATOM 646 N ALA A 47 -5.545 8.211 4.283 1.00 0.00 N ATOM 647 CA ALA A 47 -6.184 9.514 4.212 1.00 0.00 C ATOM 648 C ALA A 47 -5.551 10.357 3.108 1.00 0.00 C ATOM 649 O ALA A 47 -6.266 11.015 2.355 1.00 0.00 O ATOM 650 CB ALA A 47 -6.113 10.227 5.567 1.00 0.00 C ATOM 0 H ALA A 47 -5.067 8.030 5.165 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.237 9.373 3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.597 11.201 5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.621 9.626 6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.070 10.362 5.853 1.00 0.00 H new ATOM 656 N VAL A 48 -4.215 10.363 3.020 1.00 0.00 N ATOM 657 CA VAL A 48 -3.544 11.159 2.000 1.00 0.00 C ATOM 658 C VAL A 48 -3.602 10.494 0.622 1.00 0.00 C ATOM 659 O VAL A 48 -3.667 11.216 -0.372 1.00 0.00 O ATOM 660 CB VAL A 48 -2.121 11.582 2.408 1.00 0.00 C ATOM 661 CG1 VAL A 48 -2.143 12.465 3.668 1.00 0.00 C ATOM 662 CG2 VAL A 48 -1.139 10.417 2.575 1.00 0.00 C ATOM 0 H VAL A 48 -3.593 9.835 3.632 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.106 12.089 1.914 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.744 12.166 1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.124 12.748 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.730 13.363 3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.591 11.911 4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.161 10.804 2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.504 9.741 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.052 9.876 1.633 1.00 0.00 H new ATOM 672 N CYS A 49 -3.577 9.153 0.540 1.00 0.00 N ATOM 673 CA CYS A 49 -3.632 8.442 -0.736 1.00 0.00 C ATOM 674 C CYS A 49 -4.852 8.913 -1.548 1.00 0.00 C ATOM 675 O CYS A 49 -5.996 8.678 -1.140 1.00 0.00 O ATOM 676 CB CYS A 49 -3.688 6.949 -0.533 1.00 0.00 C ATOM 677 SG CYS A 49 -3.749 6.027 -2.091 1.00 0.00 S ATOM 0 H CYS A 49 -3.518 8.541 1.354 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.720 8.670 -1.289 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.815 6.632 0.037 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.565 6.701 0.064 1.00 0.00 H new ATOM 0 HG CYS A 49 -3.580 4.760 -1.852 1.00 0.00 H new ATOM 682 N PRO A 50 -4.652 9.614 -2.676 1.00 0.00 N ATOM 683 CA PRO A 50 -5.756 10.145 -3.448 1.00 0.00 C ATOM 684 C PRO A 50 -6.597 8.992 -3.987 1.00 0.00 C ATOM 685 O PRO A 50 -6.117 8.200 -4.798 1.00 0.00 O ATOM 686 CB PRO A 50 -5.164 11.005 -4.568 1.00 0.00 C ATOM 687 CG PRO A 50 -3.647 10.884 -4.426 1.00 0.00 C ATOM 688 CD PRO A 50 -3.367 9.944 -3.261 1.00 0.00 C ATOM 0 HA PRO A 50 -6.415 10.764 -2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.495 10.655 -5.546 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.484 12.043 -4.475 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.206 10.497 -5.345 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.200 11.862 -4.245 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -2.855 9.045 -3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.718 10.420 -2.526 1.00 0.00 H new ATOM 696 N VAL A 51 -7.848 8.915 -3.529 1.00 0.00 N ATOM 697 CA VAL A 51 -8.782 7.841 -3.835 1.00 0.00 C ATOM 698 C VAL A 51 -8.273 6.517 -3.246 1.00 0.00 C ATOM 699 O VAL A 51 -8.372 5.473 -3.887 1.00 0.00 O ATOM 700 CB VAL A 51 -9.117 7.780 -5.346 1.00 0.00 C ATOM 701 CG1 VAL A 51 -10.420 7.004 -5.588 1.00 0.00 C ATOM 702 CG2 VAL A 51 -9.287 9.181 -5.954 1.00 0.00 C ATOM 0 H VAL A 51 -8.248 9.625 -2.915 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.737 8.048 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.277 7.276 -5.824 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.633 6.975 -6.657 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.313 5.987 -5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.240 7.499 -5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.521 9.091 -7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.099 9.702 -5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.362 9.745 -5.833 1.00 0.00 H new ATOM 712 N SER A 52 -7.758 6.585 -2.011 1.00 0.00 N ATOM 713 CA SER A 52 -7.397 5.493 -1.115 1.00 0.00 C ATOM 714 C SER A 52 -7.376 4.104 -1.760 1.00 0.00 C ATOM 715 O SER A 52 -8.284 3.296 -1.566 1.00 0.00 O ATOM 716 CB SER A 52 -8.286 5.558 0.130 1.00 0.00 C ATOM 717 OG SER A 52 -8.358 6.896 0.600 1.00 0.00 O ATOM 0 H SER A 52 -7.569 7.490 -1.581 1.00 0.00 H new ATOM 0 HA SER A 52 -6.355 5.641 -0.830 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.285 5.191 -0.106 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.884 4.910 0.909 1.00 0.00 H new ATOM 0 HG SER A 52 -7.590 7.080 1.181 1.00 0.00 H new ATOM 723 N ALA A 53 -6.308 3.835 -2.511 1.00 0.00 N ATOM 724 CA ALA A 53 -5.918 2.509 -2.960 1.00 0.00 C ATOM 725 C ALA A 53 -5.426 1.681 -1.774 1.00 0.00 C ATOM 726 O ALA A 53 -5.553 0.455 -1.771 1.00 0.00 O ATOM 727 CB ALA A 53 -4.790 2.644 -3.985 1.00 0.00 C ATOM 0 H ALA A 53 -5.671 4.564 -2.832 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.776 2.011 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.490 1.654 -4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.138 3.232 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.937 3.142 -3.524 1.00 0.00 H new ATOM 733 N ILE A 54 -4.821 2.352 -0.790 1.00 0.00 N ATOM 734 CA ILE A 54 -4.350 1.718 0.427 1.00 0.00 C ATOM 735 C ILE A 54 -5.552 1.169 1.199 1.00 0.00 C ATOM 736 O ILE A 54 -6.417 1.937 1.619 1.00 0.00 O ATOM 737 CB ILE A 54 -3.516 2.711 1.261 1.00 0.00 C ATOM 738 CG1 ILE A 54 -2.224 3.064 0.509 1.00 0.00 C ATOM 739 CG2 ILE A 54 -3.206 2.067 2.615 1.00 0.00 C ATOM 740 CD1 ILE A 54 -1.335 4.126 1.174 1.00 0.00 C ATOM 0 H ILE A 54 -4.647 3.356 -0.823 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.692 0.883 0.188 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.072 3.634 1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.638 2.153 0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.490 3.412 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.616 2.756 3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.138 1.839 3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.643 1.147 2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.451 4.298 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.893 5.057 1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.029 3.778 2.160 1.00 0.00 H new ATOM 752 N TYR A 55 -5.605 -0.154 1.381 1.00 0.00 N ATOM 753 CA TYR A 55 -6.643 -0.842 2.127 1.00 0.00 C ATOM 754 C TYR A 55 -6.027 -1.873 3.063 1.00 0.00 C ATOM 755 O TYR A 55 -4.930 -2.373 2.835 1.00 0.00 O ATOM 756 CB TYR A 55 -7.614 -1.500 1.155 1.00 0.00 C ATOM 757 CG TYR A 55 -8.522 -0.557 0.391 1.00 0.00 C ATOM 758 CD1 TYR A 55 -9.405 0.293 1.083 1.00 0.00 C ATOM 759 CD2 TYR A 55 -8.529 -0.572 -1.016 1.00 0.00 C ATOM 760 CE1 TYR A 55 -10.248 1.163 0.372 1.00 0.00 C ATOM 761 CE2 TYR A 55 -9.374 0.295 -1.726 1.00 0.00 C ATOM 762 CZ TYR A 55 -10.207 1.185 -1.032 1.00 0.00 C ATOM 763 OH TYR A 55 -10.785 2.216 -1.705 1.00 0.00 O ATOM 0 H TYR A 55 -4.903 -0.787 0.999 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.190 -0.122 2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.039 -2.083 0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.235 -2.202 1.711 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.434 0.276 2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.883 -1.252 -1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.926 1.814 0.904 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.383 0.277 -2.806 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.117 2.914 -1.871 1.00 0.00 H new ATOM 773 N HIS A 56 -6.731 -2.181 4.151 1.00 0.00 N ATOM 774 CA HIS A 56 -6.213 -3.092 5.151 1.00 0.00 C ATOM 775 C HIS A 56 -6.216 -4.514 4.599 1.00 0.00 C ATOM 776 O HIS A 56 -7.177 -4.906 3.938 1.00 0.00 O ATOM 777 CB HIS A 56 -7.038 -2.946 6.431 1.00 0.00 C ATOM 778 CG HIS A 56 -6.429 -3.694 7.589 1.00 0.00 C ATOM 779 ND1 HIS A 56 -6.722 -4.987 7.961 1.00 0.00 N ATOM 780 CD2 HIS A 56 -5.301 -3.318 8.267 1.00 0.00 C ATOM 781 CE1 HIS A 56 -5.767 -5.387 8.820 1.00 0.00 C ATOM 782 NE2 HIS A 56 -4.864 -4.411 9.026 1.00 0.00 N ATOM 0 H HIS A 56 -7.659 -1.810 4.356 1.00 0.00 H new ATOM 0 HA HIS A 56 -5.179 -2.853 5.399 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -7.124 -1.890 6.687 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.049 -3.314 6.254 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -7.518 -5.540 7.643 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.830 -2.347 8.224 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.730 -6.362 9.283 1.00 0.00 H new ATOM 790 N GLU A 57 -5.160 -5.289 4.866 1.00 0.00 N ATOM 791 CA GLU A 57 -4.944 -6.607 4.288 1.00 0.00 C ATOM 792 C GLU A 57 -6.159 -7.538 4.368 1.00 0.00 C ATOM 793 O GLU A 57 -6.367 -8.361 3.480 1.00 0.00 O ATOM 794 CB GLU A 57 -3.709 -7.220 4.952 1.00 0.00 C ATOM 795 CG GLU A 57 -3.801 -7.402 6.460 1.00 0.00 C ATOM 796 CD GLU A 57 -2.427 -7.620 7.077 1.00 0.00 C ATOM 797 OE1 GLU A 57 -1.642 -8.427 6.531 1.00 0.00 O ATOM 798 OE2 GLU A 57 -2.160 -6.924 8.074 1.00 0.00 O ATOM 0 H GLU A 57 -4.418 -5.005 5.506 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.781 -6.483 3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.517 -8.192 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.848 -6.589 4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.267 -6.524 6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.443 -8.253 6.687 1.00 0.00 H new ATOM 805 N ASP A 58 -6.960 -7.403 5.424 1.00 0.00 N ATOM 806 CA ASP A 58 -8.163 -8.187 5.639 1.00 0.00 C ATOM 807 C ASP A 58 -9.271 -7.743 4.685 1.00 0.00 C ATOM 808 O ASP A 58 -9.846 -8.558 3.962 1.00 0.00 O ATOM 809 CB ASP A 58 -8.615 -8.020 7.088 1.00 0.00 C ATOM 810 CG ASP A 58 -9.879 -8.829 7.329 1.00 0.00 C ATOM 811 OD1 ASP A 58 -9.788 -10.067 7.192 1.00 0.00 O ATOM 812 OD2 ASP A 58 -10.910 -8.185 7.614 1.00 0.00 O ATOM 0 H ASP A 58 -6.781 -6.728 6.168 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.948 -9.237 5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.827 -8.349 7.765 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.800 -6.967 7.302 1.00 0.00 H new ATOM 817 N PHE A 59 -9.540 -6.434 4.680 1.00 0.00 N ATOM 818 CA PHE A 59 -10.557 -5.769 3.904 1.00 0.00 C ATOM 819 C PHE A 59 -10.266 -5.938 2.420 1.00 0.00 C ATOM 820 O PHE A 59 -11.178 -6.014 1.601 1.00 0.00 O ATOM 821 CB PHE A 59 -10.495 -4.286 4.265 1.00 0.00 C ATOM 822 CG PHE A 59 -10.880 -3.859 5.671 1.00 0.00 C ATOM 823 CD1 PHE A 59 -11.202 -4.790 6.682 1.00 0.00 C ATOM 824 CD2 PHE A 59 -10.888 -2.483 5.972 1.00 0.00 C ATOM 825 CE1 PHE A 59 -11.474 -4.348 7.987 1.00 0.00 C ATOM 826 CE2 PHE A 59 -11.175 -2.041 7.274 1.00 0.00 C ATOM 827 CZ PHE A 59 -11.457 -2.976 8.287 1.00 0.00 C ATOM 0 H PHE A 59 -9.012 -5.781 5.259 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.541 -6.187 4.115 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.476 -3.944 4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -11.140 -3.750 3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.239 -5.844 6.451 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -10.672 -1.763 5.197 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -11.697 -5.066 8.763 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -11.179 -0.984 7.497 1.00 0.00 H new ATOM 0 HZ PHE A 59 -11.660 -2.639 9.293 1.00 0.00 H new ATOM 837 N VAL A 60 -8.976 -5.951 2.082 1.00 0.00 N ATOM 838 CA VAL A 60 -8.511 -6.189 0.727 1.00 0.00 C ATOM 839 C VAL A 60 -9.188 -7.450 0.168 1.00 0.00 C ATOM 840 O VAL A 60 -9.094 -8.510 0.791 1.00 0.00 O ATOM 841 CB VAL A 60 -6.979 -6.271 0.749 1.00 0.00 C ATOM 842 CG1 VAL A 60 -6.406 -7.157 -0.355 1.00 0.00 C ATOM 843 CG2 VAL A 60 -6.498 -4.841 0.552 1.00 0.00 C ATOM 0 H VAL A 60 -8.223 -5.795 2.752 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.784 -5.374 0.057 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.647 -6.718 1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.319 -7.171 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.790 -8.171 -0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.699 -6.762 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.408 -4.820 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.864 -4.462 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.876 -4.215 1.360 1.00 0.00 H new ATOM 853 N PRO A 61 -9.881 -7.354 -0.981 1.00 0.00 N ATOM 854 CA PRO A 61 -10.601 -8.484 -1.542 1.00 0.00 C ATOM 855 C PRO A 61 -9.632 -9.626 -1.831 1.00 0.00 C ATOM 856 O PRO A 61 -8.465 -9.384 -2.123 1.00 0.00 O ATOM 857 CB PRO A 61 -11.280 -7.984 -2.823 1.00 0.00 C ATOM 858 CG PRO A 61 -10.748 -6.571 -3.073 1.00 0.00 C ATOM 859 CD PRO A 61 -9.981 -6.168 -1.812 1.00 0.00 C ATOM 0 HA PRO A 61 -11.348 -8.870 -0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.052 -8.639 -3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.364 -7.976 -2.710 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.097 -6.550 -3.947 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.566 -5.877 -3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.991 -5.791 -2.067 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.500 -5.369 -1.283 1.00 0.00 H new ATOM 867 N GLU A 62 -10.104 -10.869 -1.765 1.00 0.00 N ATOM 868 CA GLU A 62 -9.384 -12.088 -2.018 1.00 0.00 C ATOM 869 C GLU A 62 -8.555 -11.989 -3.301 1.00 0.00 C ATOM 870 O GLU A 62 -7.367 -12.305 -3.304 1.00 0.00 O ATOM 871 CB GLU A 62 -10.475 -13.157 -2.067 1.00 0.00 C ATOM 872 CG GLU A 62 -10.823 -13.682 -0.663 1.00 0.00 C ATOM 873 CD GLU A 62 -11.279 -12.577 0.282 1.00 0.00 C ATOM 874 OE1 GLU A 62 -12.071 -11.730 -0.186 1.00 0.00 O ATOM 875 OE2 GLU A 62 -10.746 -12.524 1.411 1.00 0.00 O ATOM 0 H GLU A 62 -11.076 -11.050 -1.513 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.643 -12.322 -1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.369 -12.743 -2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.144 -13.986 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.610 -14.432 -0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.951 -14.180 -0.239 1.00 0.00 H new ATOM 882 N GLU A 63 -9.175 -11.477 -4.363 1.00 0.00 N ATOM 883 CA GLU A 63 -8.516 -11.111 -5.610 1.00 0.00 C ATOM 884 C GLU A 63 -7.173 -10.402 -5.355 1.00 0.00 C ATOM 885 O GLU A 63 -6.150 -10.748 -5.947 1.00 0.00 O ATOM 886 CB GLU A 63 -9.495 -10.241 -6.409 1.00 0.00 C ATOM 887 CG GLU A 63 -9.007 -9.911 -7.824 1.00 0.00 C ATOM 888 CD GLU A 63 -10.050 -9.148 -8.631 1.00 0.00 C ATOM 889 OE1 GLU A 63 -11.134 -8.879 -8.067 1.00 0.00 O ATOM 890 OE2 GLU A 63 -9.737 -8.850 -9.802 1.00 0.00 O ATOM 0 H GLU A 63 -10.180 -11.301 -4.377 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.265 -12.003 -6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.454 -10.755 -6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.668 -9.311 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.094 -9.319 -7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.753 -10.835 -8.343 1.00 0.00 H new ATOM 897 N TRP A 64 -7.177 -9.418 -4.453 1.00 0.00 N ATOM 898 CA TRP A 64 -6.054 -8.550 -4.127 1.00 0.00 C ATOM 899 C TRP A 64 -5.304 -8.968 -2.858 1.00 0.00 C ATOM 900 O TRP A 64 -4.197 -8.486 -2.627 1.00 0.00 O ATOM 901 CB TRP A 64 -6.538 -7.091 -4.168 1.00 0.00 C ATOM 902 CG TRP A 64 -7.028 -6.646 -5.523 1.00 0.00 C ATOM 903 CD1 TRP A 64 -6.706 -7.229 -6.703 1.00 0.00 C ATOM 904 CD2 TRP A 64 -7.977 -5.588 -5.872 1.00 0.00 C ATOM 905 NE1 TRP A 64 -7.416 -6.656 -7.731 1.00 0.00 N ATOM 906 CE2 TRP A 64 -8.233 -5.654 -7.274 1.00 0.00 C ATOM 907 CE3 TRP A 64 -8.665 -4.587 -5.150 1.00 0.00 C ATOM 908 CZ2 TRP A 64 -9.146 -4.813 -7.917 1.00 0.00 C ATOM 909 CZ3 TRP A 64 -9.537 -3.692 -5.799 1.00 0.00 C ATOM 910 CH2 TRP A 64 -9.793 -3.817 -7.175 1.00 0.00 C ATOM 0 H TRP A 64 -8.008 -9.198 -3.905 1.00 0.00 H new ATOM 0 HA TRP A 64 -5.275 -8.654 -4.882 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -7.342 -6.965 -3.443 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.722 -6.439 -3.856 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.992 -8.031 -6.819 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.344 -6.940 -8.708 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.520 -4.507 -4.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.350 -4.930 -8.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -10.013 -2.903 -5.235 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -10.487 -3.146 -7.659 1.00 0.00 H new ATOM 921 N LYS A 65 -5.790 -9.960 -2.108 1.00 0.00 N ATOM 922 CA LYS A 65 -4.962 -10.664 -1.126 1.00 0.00 C ATOM 923 C LYS A 65 -3.676 -11.177 -1.805 1.00 0.00 C ATOM 924 O LYS A 65 -2.610 -11.245 -1.187 1.00 0.00 O ATOM 925 CB LYS A 65 -5.750 -11.775 -0.425 1.00 0.00 C ATOM 926 CG LYS A 65 -6.780 -11.108 0.494 1.00 0.00 C ATOM 927 CD LYS A 65 -7.369 -12.085 1.517 1.00 0.00 C ATOM 928 CE LYS A 65 -7.920 -11.273 2.693 1.00 0.00 C ATOM 929 NZ LYS A 65 -9.215 -10.625 2.393 1.00 0.00 N ATOM 0 H LYS A 65 -6.752 -10.294 -2.162 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.666 -9.969 -0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.247 -12.412 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.080 -12.414 0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.310 -10.276 1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.585 -10.690 -0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.161 -12.680 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.604 -12.782 1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.040 -11.929 3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.194 -10.509 2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.496 -10.023 3.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.121 -10.042 1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.940 -11.354 2.237 1.00 0.00 H new ATOM 943 N SER A 66 -3.762 -11.499 -3.100 1.00 0.00 N ATOM 944 CA SER A 66 -2.624 -11.739 -3.973 1.00 0.00 C ATOM 945 C SER A 66 -1.572 -10.623 -3.879 1.00 0.00 C ATOM 946 O SER A 66 -0.391 -10.897 -3.675 1.00 0.00 O ATOM 947 CB SER A 66 -3.136 -11.882 -5.411 1.00 0.00 C ATOM 948 OG SER A 66 -4.289 -12.701 -5.417 1.00 0.00 O ATOM 0 H SER A 66 -4.657 -11.601 -3.578 1.00 0.00 H new ATOM 0 HA SER A 66 -2.128 -12.656 -3.655 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.370 -10.901 -5.825 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.363 -12.318 -6.043 1.00 0.00 H new ATOM 0 HG SER A 66 -5.080 -12.151 -5.596 1.00 0.00 H new ATOM 954 N TYR A 67 -1.982 -9.356 -4.022 1.00 0.00 N ATOM 955 CA TYR A 67 -1.056 -8.233 -3.932 1.00 0.00 C ATOM 956 C TYR A 67 -0.456 -8.158 -2.547 1.00 0.00 C ATOM 957 O TYR A 67 0.711 -7.810 -2.419 1.00 0.00 O ATOM 958 CB TYR A 67 -1.754 -6.885 -4.168 1.00 0.00 C ATOM 959 CG TYR A 67 -2.021 -6.539 -5.618 1.00 0.00 C ATOM 960 CD1 TYR A 67 -0.946 -6.424 -6.512 1.00 0.00 C ATOM 961 CD2 TYR A 67 -3.325 -6.266 -6.065 1.00 0.00 C ATOM 962 CE1 TYR A 67 -1.186 -6.187 -7.875 1.00 0.00 C ATOM 963 CE2 TYR A 67 -3.556 -5.926 -7.409 1.00 0.00 C ATOM 964 CZ TYR A 67 -2.485 -5.882 -8.315 1.00 0.00 C ATOM 965 OH TYR A 67 -2.690 -5.576 -9.625 1.00 0.00 O ATOM 0 H TYR A 67 -2.950 -9.089 -4.200 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.300 -8.405 -4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.703 -6.887 -3.632 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.142 -6.096 -3.730 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.068 -6.518 -6.151 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.153 -6.318 -5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.373 -6.239 -8.584 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.557 -5.699 -7.744 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.218 -4.753 -9.690 1.00 0.00 H new ATOM 975 N ILE A 68 -1.240 -8.413 -1.503 1.00 0.00 N ATOM 976 CA ILE A 68 -0.736 -8.288 -0.155 1.00 0.00 C ATOM 977 C ILE A 68 0.404 -9.284 0.033 1.00 0.00 C ATOM 978 O ILE A 68 1.494 -8.928 0.488 1.00 0.00 O ATOM 979 CB ILE A 68 -1.909 -8.510 0.809 1.00 0.00 C ATOM 980 CG1 ILE A 68 -2.800 -7.268 0.956 1.00 0.00 C ATOM 981 CG2 ILE A 68 -1.454 -8.968 2.197 1.00 0.00 C ATOM 982 CD1 ILE A 68 -2.859 -6.323 -0.252 1.00 0.00 C ATOM 0 H ILE A 68 -2.215 -8.704 -1.571 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.326 -7.299 0.048 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.496 -9.307 0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.814 -7.600 1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.453 -6.699 1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.325 -9.109 2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.911 -9.909 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.802 -8.212 2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.519 -5.485 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.859 -5.948 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.241 -6.863 -1.118 1.00 0.00 H new ATOM 994 N GLN A 69 0.159 -10.531 -0.373 1.00 0.00 N ATOM 995 CA GLN A 69 1.198 -11.530 -0.454 1.00 0.00 C ATOM 996 C GLN A 69 2.357 -11.017 -1.310 1.00 0.00 C ATOM 997 O GLN A 69 3.498 -11.179 -0.902 1.00 0.00 O ATOM 998 CB GLN A 69 0.584 -12.827 -0.976 1.00 0.00 C ATOM 999 CG GLN A 69 -0.170 -13.532 0.154 1.00 0.00 C ATOM 1000 CD GLN A 69 -1.154 -14.561 -0.383 1.00 0.00 C ATOM 1001 OE1 GLN A 69 -0.936 -15.763 -0.276 1.00 0.00 O ATOM 1002 NE2 GLN A 69 -2.252 -14.085 -0.957 1.00 0.00 N ATOM 0 H GLN A 69 -0.764 -10.865 -0.651 1.00 0.00 H new ATOM 0 HA GLN A 69 1.621 -11.737 0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.095 -12.613 -1.801 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.365 -13.479 -1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.543 -14.022 0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.705 -12.793 0.751 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.396 -13.078 -1.026 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.952 -14.727 -1.329 1.00 0.00 H new ATOM 1011 N LYS A 70 2.095 -10.370 -2.451 1.00 0.00 N ATOM 1012 CA LYS A 70 3.154 -9.817 -3.291 1.00 0.00 C ATOM 1013 C LYS A 70 4.009 -8.772 -2.563 1.00 0.00 C ATOM 1014 O LYS A 70 5.234 -8.872 -2.592 1.00 0.00 O ATOM 1015 CB LYS A 70 2.595 -9.281 -4.624 1.00 0.00 C ATOM 1016 CG LYS A 70 3.717 -9.230 -5.680 1.00 0.00 C ATOM 1017 CD LYS A 70 3.258 -8.943 -7.118 1.00 0.00 C ATOM 1018 CE LYS A 70 2.494 -7.618 -7.193 1.00 0.00 C ATOM 1019 NZ LYS A 70 2.644 -6.914 -8.485 1.00 0.00 N ATOM 0 H LYS A 70 1.153 -10.218 -2.812 1.00 0.00 H new ATOM 0 HA LYS A 70 3.827 -10.642 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.785 -9.921 -4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 70 2.175 -8.286 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.434 -8.464 -5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.246 -10.183 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.123 -8.907 -7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.622 -9.755 -7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.436 -7.809 -7.015 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.839 -6.965 -6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.876 -5.915 -8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.408 -7.356 -9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.754 -6.975 -9.019 1.00 0.00 H new ATOM 1033 N ASN A 71 3.402 -7.770 -1.916 1.00 0.00 N ATOM 1034 CA ASN A 71 4.114 -6.787 -1.119 1.00 0.00 C ATOM 1035 C ASN A 71 4.991 -7.493 -0.099 1.00 0.00 C ATOM 1036 O ASN A 71 6.167 -7.170 0.023 1.00 0.00 O ATOM 1037 CB ASN A 71 3.128 -5.874 -0.375 1.00 0.00 C ATOM 1038 CG ASN A 71 2.433 -4.814 -1.222 1.00 0.00 C ATOM 1039 OD1 ASN A 71 2.506 -3.621 -0.932 1.00 0.00 O ATOM 1040 ND2 ASN A 71 1.714 -5.226 -2.261 1.00 0.00 N ATOM 0 H ASN A 71 2.393 -7.625 -1.937 1.00 0.00 H new ATOM 0 HA ASN A 71 4.726 -6.183 -1.789 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.365 -6.498 0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.664 -5.373 0.431 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.211 -4.548 -2.834 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.666 -6.220 -2.486 1.00 0.00 H new ATOM 1047 N ARG A 72 4.434 -8.475 0.614 1.00 0.00 N ATOM 1048 CA ARG A 72 5.229 -9.302 1.499 1.00 0.00 C ATOM 1049 C ARG A 72 6.406 -9.898 0.727 1.00 0.00 C ATOM 1050 O ARG A 72 7.556 -9.687 1.102 1.00 0.00 O ATOM 1051 CB ARG A 72 4.326 -10.366 2.145 1.00 0.00 C ATOM 1052 CG ARG A 72 4.013 -9.942 3.582 1.00 0.00 C ATOM 1053 CD ARG A 72 2.782 -10.633 4.173 1.00 0.00 C ATOM 1054 NE ARG A 72 2.454 -10.028 5.478 1.00 0.00 N ATOM 1055 CZ ARG A 72 1.276 -9.529 5.880 1.00 0.00 C ATOM 1056 NH1 ARG A 72 0.163 -9.739 5.177 1.00 0.00 N ATOM 1057 NH2 ARG A 72 1.218 -8.804 6.995 1.00 0.00 N ATOM 0 H ARG A 72 3.441 -8.709 0.590 1.00 0.00 H new ATOM 0 HA ARG A 72 5.654 -8.708 2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.404 -10.475 1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.822 -11.337 2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.877 -10.157 4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.861 -8.863 3.608 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.936 -10.536 3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.973 -11.699 4.293 1.00 0.00 H new ATOM 0 HE ARG A 72 3.215 -9.984 6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.198 -10.287 4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.724 -9.351 5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.065 -8.632 7.536 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.326 -8.421 7.308 1.00 0.00 H new ATOM 1071 N ASP A 73 6.124 -10.617 -0.364 1.00 0.00 N ATOM 1072 CA ASP A 73 7.113 -11.373 -1.115 1.00 0.00 C ATOM 1073 C ASP A 73 8.294 -10.506 -1.505 1.00 0.00 C ATOM 1074 O ASP A 73 9.447 -10.902 -1.332 1.00 0.00 O ATOM 1075 CB ASP A 73 6.472 -11.993 -2.359 1.00 0.00 C ATOM 1076 CG ASP A 73 7.121 -13.330 -2.668 1.00 0.00 C ATOM 1077 OD1 ASP A 73 7.075 -14.211 -1.779 1.00 0.00 O ATOM 1078 OD2 ASP A 73 7.719 -13.437 -3.759 1.00 0.00 O ATOM 0 H ASP A 73 5.183 -10.687 -0.751 1.00 0.00 H new ATOM 0 HA ASP A 73 7.485 -12.171 -0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.402 -12.128 -2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.584 -11.320 -3.209 1.00 0.00 H new ATOM 1083 N PHE A 74 7.965 -9.310 -1.990 1.00 0.00 N ATOM 1084 CA PHE A 74 8.925 -8.298 -2.401 1.00 0.00 C ATOM 1085 C PHE A 74 10.031 -8.088 -1.365 1.00 0.00 C ATOM 1086 O PHE A 74 11.180 -7.865 -1.739 1.00 0.00 O ATOM 1087 CB PHE A 74 8.191 -6.989 -2.716 1.00 0.00 C ATOM 1088 CG PHE A 74 8.101 -6.706 -4.201 1.00 0.00 C ATOM 1089 CD1 PHE A 74 7.335 -7.554 -5.022 1.00 0.00 C ATOM 1090 CD2 PHE A 74 8.908 -5.711 -4.782 1.00 0.00 C ATOM 1091 CE1 PHE A 74 7.350 -7.386 -6.418 1.00 0.00 C ATOM 1092 CE2 PHE A 74 8.933 -5.551 -6.178 1.00 0.00 C ATOM 1093 CZ PHE A 74 8.156 -6.390 -6.995 1.00 0.00 C ATOM 0 H PHE A 74 6.996 -9.014 -2.109 1.00 0.00 H new ATOM 0 HA PHE A 74 9.423 -8.651 -3.304 1.00 0.00 H new ATOM 0 HB2 PHE A 74 7.185 -7.033 -2.298 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.705 -6.163 -2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.735 -8.335 -4.579 1.00 0.00 H new ATOM 0 HD2 PHE A 74 9.509 -5.069 -4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.743 -8.021 -7.046 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.549 -4.784 -6.623 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.178 -6.269 -8.068 1.00 0.00 H new ATOM 1103 N PHE A 75 9.691 -8.153 -0.076 1.00 0.00 N ATOM 1104 CA PHE A 75 10.629 -7.933 1.014 1.00 0.00 C ATOM 1105 C PHE A 75 10.896 -9.213 1.811 1.00 0.00 C ATOM 1106 O PHE A 75 11.421 -9.146 2.919 1.00 0.00 O ATOM 1107 CB PHE A 75 10.069 -6.817 1.900 1.00 0.00 C ATOM 1108 CG PHE A 75 9.614 -5.596 1.120 1.00 0.00 C ATOM 1109 CD1 PHE A 75 10.504 -4.942 0.247 1.00 0.00 C ATOM 1110 CD2 PHE A 75 8.248 -5.270 1.089 1.00 0.00 C ATOM 1111 CE1 PHE A 75 10.012 -4.049 -0.720 1.00 0.00 C ATOM 1112 CE2 PHE A 75 7.755 -4.369 0.131 1.00 0.00 C ATOM 1113 CZ PHE A 75 8.632 -3.798 -0.806 1.00 0.00 C ATOM 0 H PHE A 75 8.744 -8.363 0.238 1.00 0.00 H new ATOM 0 HA PHE A 75 11.596 -7.634 0.609 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.228 -7.206 2.473 1.00 0.00 H new ATOM 0 HB3 PHE A 75 10.832 -6.516 2.618 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.566 -5.127 0.321 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.573 -5.715 1.806 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.694 -3.556 -1.397 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.705 -4.116 0.115 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.246 -3.166 -1.592 1.00 0.00 H new