USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 424 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 105 THR OG1 : rot -140:sc= -1.74! USER MOD Set 1.2: A 107 GLN : amide:sc= -3.96! C(o=-5.7!,f=-6.9!) USER MOD Single : A 70 HIS : no HE2:sc= -5.72! C(o=-5.7!,f=-6.4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0986 USER MOD Single : A 72 TYR OH : rot 65:sc= -1.3! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 93 GLN : amide:sc= -1.99! K(o=-2!,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0401 USER MOD Single : A 99 LYS NZ :NH3+ -133:sc= -2.21 (180deg=-6.49!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.121 USER MOD Single : A 104 THR OG1 : rot 129:sc= 0.894 USER MOD Single : A 114 ASN : amide:sc= 0.469 K(o=0.47,f=-6.1!) USER MOD Single : A 118 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.245) USER MOD Single : A 120 ASN : amide:sc= -2.32 X(o=-2.3,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 65 1.050 3.775 10.715 1.00 0.00 N ATOM 16 CA LEU A 65 0.178 4.533 9.848 1.00 0.00 C ATOM 17 C LEU A 65 0.956 5.313 8.810 1.00 0.00 C ATOM 18 O LEU A 65 2.037 5.842 9.069 1.00 0.00 O ATOM 19 CB LEU A 65 -0.713 5.478 10.645 1.00 0.00 C ATOM 20 CG LEU A 65 -1.447 6.512 9.809 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.326 5.822 8.781 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.269 7.439 10.692 1.00 0.00 C ATOM 0 HA LEU A 65 -0.453 3.810 9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.446 4.888 11.195 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.102 5.995 11.384 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.711 7.121 9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.848 6.572 8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.707 5.207 8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.055 5.191 9.290 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.785 8.171 10.070 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.001 6.855 11.250 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.610 7.956 11.389 1.00 0.00 H new ATOM 34 N VAL A 66 0.376 5.362 7.632 1.00 0.00 N ATOM 35 CA VAL A 66 0.961 6.056 6.502 1.00 0.00 C ATOM 36 C VAL A 66 0.005 7.081 5.909 1.00 0.00 C ATOM 37 O VAL A 66 -1.099 7.289 6.408 1.00 0.00 O ATOM 38 CB VAL A 66 1.338 5.067 5.399 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.645 4.368 5.725 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.222 4.056 5.175 1.00 0.00 C ATOM 0 H VAL A 66 -0.520 4.920 7.428 1.00 0.00 H new ATOM 0 HA VAL A 66 1.848 6.567 6.877 1.00 0.00 H new ATOM 0 HB VAL A 66 1.477 5.627 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.893 3.669 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.440 5.108 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.542 3.824 6.664 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.512 3.362 4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.042 3.502 6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.689 4.578 4.882 1.00 0.00 H new ATOM 50 N ILE A 67 0.441 7.707 4.826 1.00 0.00 N ATOM 51 CA ILE A 67 -0.363 8.696 4.137 1.00 0.00 C ATOM 52 C ILE A 67 -0.094 8.656 2.638 1.00 0.00 C ATOM 53 O ILE A 67 1.049 8.757 2.192 1.00 0.00 O ATOM 54 CB ILE A 67 -0.135 10.116 4.711 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.373 10.524 5.495 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.165 11.130 3.613 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.403 11.972 5.933 1.00 0.00 C ATOM 0 H ILE A 67 1.356 7.543 4.405 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.412 8.448 4.301 1.00 0.00 H new ATOM 0 HB ILE A 67 0.736 10.097 5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.253 10.327 4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.450 9.891 6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.319 12.113 4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.065 10.830 3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.674 11.173 2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.323 12.166 6.484 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.546 12.176 6.575 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.362 12.618 5.056 1.00 0.00 H new ATOM 69 N ALA A 68 -1.162 8.487 1.872 1.00 0.00 N ATOM 70 CA ALA A 68 -1.063 8.406 0.418 1.00 0.00 C ATOM 71 C ALA A 68 -0.457 9.668 -0.185 1.00 0.00 C ATOM 72 O ALA A 68 -0.564 10.757 0.380 1.00 0.00 O ATOM 73 CB ALA A 68 -2.431 8.131 -0.192 1.00 0.00 C ATOM 0 H ALA A 68 -2.112 8.403 2.233 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.394 7.579 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.341 8.073 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.817 7.186 0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.116 8.936 0.073 1.00 0.00 H new ATOM 79 N LEU A 69 0.175 9.504 -1.342 1.00 0.00 N ATOM 80 CA LEU A 69 0.803 10.615 -2.048 1.00 0.00 C ATOM 81 C LEU A 69 0.214 10.774 -3.448 1.00 0.00 C ATOM 82 O LEU A 69 0.731 11.537 -4.265 1.00 0.00 O ATOM 83 CB LEU A 69 2.310 10.378 -2.151 1.00 0.00 C ATOM 84 CG LEU A 69 3.066 10.452 -0.822 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.545 10.127 -1.011 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.904 11.832 -0.204 1.00 0.00 C ATOM 0 H LEU A 69 0.266 8.604 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 69 0.613 11.529 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.479 9.397 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.733 11.114 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 69 2.641 9.708 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.056 10.187 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.648 9.119 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.989 10.842 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.446 11.873 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.303 12.584 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.847 12.029 -0.025 1.00 0.00 H new ATOM 98 N HIS A 70 -0.859 10.037 -3.727 1.00 0.00 N ATOM 99 CA HIS A 70 -1.504 10.085 -5.036 1.00 0.00 C ATOM 100 C HIS A 70 -2.876 9.422 -4.983 1.00 0.00 C ATOM 101 O HIS A 70 -3.063 8.419 -4.294 1.00 0.00 O ATOM 102 CB HIS A 70 -0.633 9.392 -6.100 1.00 0.00 C ATOM 103 CG HIS A 70 0.593 8.707 -5.560 1.00 0.00 C ATOM 104 ND1 HIS A 70 1.800 8.696 -6.224 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.795 8.018 -4.411 1.00 0.00 C ATOM 106 CE1 HIS A 70 2.690 8.033 -5.508 1.00 0.00 C ATOM 107 NE2 HIS A 70 2.107 7.611 -4.402 1.00 0.00 N ATOM 0 H HIS A 70 -1.300 9.400 -3.064 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.627 11.133 -5.310 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.242 8.656 -6.625 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.324 10.134 -6.836 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.979 9.132 -7.128 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.060 7.824 -3.644 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.721 7.865 -5.782 1.00 0.00 H new ATOM 116 N SER A 71 -3.833 9.978 -5.722 1.00 0.00 N ATOM 117 CA SER A 71 -5.183 9.424 -5.759 1.00 0.00 C ATOM 118 C SER A 71 -5.146 7.970 -6.209 1.00 0.00 C ATOM 119 O SER A 71 -4.612 7.654 -7.272 1.00 0.00 O ATOM 120 CB SER A 71 -6.071 10.236 -6.701 1.00 0.00 C ATOM 121 OG SER A 71 -5.587 11.561 -6.847 1.00 0.00 O ATOM 0 H SER A 71 -3.699 10.807 -6.300 1.00 0.00 H new ATOM 0 HA SER A 71 -5.600 9.474 -4.753 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.110 9.751 -7.676 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.090 10.259 -6.315 1.00 0.00 H new ATOM 0 HG SER A 71 -6.172 12.058 -7.456 1.00 0.00 H new ATOM 127 N TYR A 72 -5.696 7.085 -5.388 1.00 0.00 N ATOM 128 CA TYR A 72 -5.698 5.659 -5.709 1.00 0.00 C ATOM 129 C TYR A 72 -7.050 5.167 -6.213 1.00 0.00 C ATOM 130 O TYR A 72 -8.103 5.637 -5.783 1.00 0.00 O ATOM 131 CB TYR A 72 -5.294 4.827 -4.493 1.00 0.00 C ATOM 132 CG TYR A 72 -5.020 3.378 -4.829 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.192 3.033 -5.891 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.597 2.356 -4.090 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.950 1.709 -6.204 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.356 1.032 -4.395 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.534 0.715 -5.452 1.00 0.00 C ATOM 138 OH TYR A 72 -4.300 -0.603 -5.762 1.00 0.00 O ATOM 0 H TYR A 72 -6.143 7.323 -4.503 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.971 5.532 -6.511 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.403 5.264 -4.041 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.087 4.877 -3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.731 3.812 -6.480 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.246 2.601 -3.262 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.307 1.456 -7.034 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.810 0.248 -3.807 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.352 -0.809 -5.621 1.00 0.00 H new ATOM 148 N GLU A 73 -6.993 4.193 -7.115 1.00 0.00 N ATOM 149 CA GLU A 73 -8.178 3.586 -7.686 1.00 0.00 C ATOM 150 C GLU A 73 -7.991 2.071 -7.781 1.00 0.00 C ATOM 151 O GLU A 73 -7.422 1.562 -8.746 1.00 0.00 O ATOM 152 CB GLU A 73 -8.446 4.168 -9.056 1.00 0.00 C ATOM 153 CG GLU A 73 -9.752 4.933 -9.139 1.00 0.00 C ATOM 154 CD GLU A 73 -9.859 5.772 -10.398 1.00 0.00 C ATOM 155 OE1 GLU A 73 -9.858 5.189 -11.502 1.00 0.00 O ATOM 156 OE2 GLU A 73 -9.943 7.012 -10.278 1.00 0.00 O ATOM 0 H GLU A 73 -6.118 3.805 -7.468 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.033 3.795 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.626 4.833 -9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.458 3.362 -9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.584 4.229 -9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.846 5.580 -8.267 1.00 0.00 H new ATOM 163 N PRO A 74 -8.466 1.340 -6.763 1.00 0.00 N ATOM 164 CA PRO A 74 -8.368 -0.113 -6.674 1.00 0.00 C ATOM 165 C PRO A 74 -8.517 -0.812 -8.023 1.00 0.00 C ATOM 166 O PRO A 74 -9.438 -0.528 -8.788 1.00 0.00 O ATOM 167 CB PRO A 74 -9.526 -0.491 -5.734 1.00 0.00 C ATOM 168 CG PRO A 74 -10.133 0.803 -5.273 1.00 0.00 C ATOM 169 CD PRO A 74 -9.140 1.881 -5.596 1.00 0.00 C ATOM 0 HA PRO A 74 -7.387 -0.426 -6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.264 -1.104 -6.252 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.165 -1.075 -4.887 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.082 0.987 -5.776 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.340 0.775 -4.203 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.627 2.832 -5.812 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.448 2.057 -4.772 1.00 0.00 H new ATOM 177 N SER A 75 -7.597 -1.731 -8.301 1.00 0.00 N ATOM 178 CA SER A 75 -7.611 -2.483 -9.549 1.00 0.00 C ATOM 179 C SER A 75 -7.484 -3.981 -9.282 1.00 0.00 C ATOM 180 O SER A 75 -8.188 -4.790 -9.886 1.00 0.00 O ATOM 181 CB SER A 75 -6.475 -2.018 -10.462 1.00 0.00 C ATOM 182 OG SER A 75 -6.415 -0.604 -10.521 1.00 0.00 O ATOM 0 H SER A 75 -6.829 -1.973 -7.675 1.00 0.00 H new ATOM 0 HA SER A 75 -8.564 -2.299 -10.045 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.526 -2.410 -10.096 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.621 -2.421 -11.464 1.00 0.00 H new ATOM 0 HG SER A 75 -5.680 -0.332 -11.109 1.00 0.00 H new ATOM 188 N HIS A 76 -6.585 -4.343 -8.370 1.00 0.00 N ATOM 189 CA HIS A 76 -6.371 -5.743 -8.023 1.00 0.00 C ATOM 190 C HIS A 76 -7.444 -6.230 -7.055 1.00 0.00 C ATOM 191 O HIS A 76 -8.070 -5.434 -6.355 1.00 0.00 O ATOM 192 CB HIS A 76 -4.983 -5.939 -7.406 1.00 0.00 C ATOM 193 CG HIS A 76 -3.929 -6.298 -8.408 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.730 -7.584 -8.863 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.012 -5.529 -9.043 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.736 -7.592 -9.735 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.285 -6.357 -9.862 1.00 0.00 N ATOM 0 H HIS A 76 -5.995 -3.686 -7.859 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.435 -6.330 -8.939 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.689 -5.023 -6.894 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.037 -6.723 -6.651 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.878 -4.464 -8.927 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -2.358 -8.460 -10.255 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.520 -6.065 -10.470 1.00 0.00 H new ATOM 206 N ASP A 77 -7.655 -7.542 -7.021 1.00 0.00 N ATOM 207 CA ASP A 77 -8.655 -8.135 -6.141 1.00 0.00 C ATOM 208 C ASP A 77 -8.269 -7.958 -4.676 1.00 0.00 C ATOM 209 O ASP A 77 -7.154 -8.291 -4.273 1.00 0.00 O ATOM 210 CB ASP A 77 -8.827 -9.621 -6.459 1.00 0.00 C ATOM 211 CG ASP A 77 -9.923 -10.266 -5.635 1.00 0.00 C ATOM 212 OD1 ASP A 77 -11.089 -10.258 -6.085 1.00 0.00 O ATOM 213 OD2 ASP A 77 -9.618 -10.781 -4.539 1.00 0.00 O ATOM 0 H ASP A 77 -7.146 -8.215 -7.594 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.601 -7.621 -6.312 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.056 -9.739 -7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.886 -10.140 -6.276 1.00 0.00 H new ATOM 218 N GLY A 78 -9.199 -7.434 -3.883 1.00 0.00 N ATOM 219 CA GLY A 78 -8.938 -7.227 -2.471 1.00 0.00 C ATOM 220 C GLY A 78 -8.124 -5.977 -2.205 1.00 0.00 C ATOM 221 O GLY A 78 -7.375 -5.914 -1.231 1.00 0.00 O ATOM 0 H GLY A 78 -10.128 -7.149 -4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.886 -7.159 -1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.408 -8.092 -2.073 1.00 0.00 H new ATOM 225 N ASP A 79 -8.270 -4.976 -3.070 1.00 0.00 N ATOM 226 CA ASP A 79 -7.538 -3.727 -2.913 1.00 0.00 C ATOM 227 C ASP A 79 -8.388 -2.682 -2.201 1.00 0.00 C ATOM 228 O ASP A 79 -9.617 -2.749 -2.209 1.00 0.00 O ATOM 229 CB ASP A 79 -7.093 -3.190 -4.274 1.00 0.00 C ATOM 230 CG ASP A 79 -6.018 -4.048 -4.909 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.121 -5.290 -4.828 1.00 0.00 O ATOM 232 OD2 ASP A 79 -5.072 -3.475 -5.488 1.00 0.00 O ATOM 0 H ASP A 79 -8.886 -5.007 -3.882 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.657 -3.932 -2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.954 -3.138 -4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.720 -2.173 -4.156 1.00 0.00 H new ATOM 237 N LEU A 80 -7.717 -1.715 -1.589 1.00 0.00 N ATOM 238 CA LEU A 80 -8.393 -0.644 -0.872 1.00 0.00 C ATOM 239 C LEU A 80 -8.136 0.691 -1.563 1.00 0.00 C ATOM 240 O LEU A 80 -6.992 1.036 -1.860 1.00 0.00 O ATOM 241 CB LEU A 80 -7.911 -0.605 0.588 1.00 0.00 C ATOM 242 CG LEU A 80 -7.908 0.771 1.260 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.313 1.160 1.699 1.00 0.00 C ATOM 244 CD2 LEU A 80 -6.957 0.776 2.445 1.00 0.00 C ATOM 0 H LEU A 80 -6.699 -1.651 -1.576 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.467 -0.831 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.542 -1.272 1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.899 -1.008 0.626 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.564 1.508 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.287 2.141 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.969 1.195 0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.690 0.423 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.965 1.760 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.275 0.027 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.948 0.545 2.103 1.00 0.00 H new ATOM 256 N GLY A 81 -9.202 1.439 -1.815 1.00 0.00 N ATOM 257 CA GLY A 81 -9.060 2.726 -2.466 1.00 0.00 C ATOM 258 C GLY A 81 -8.948 3.864 -1.475 1.00 0.00 C ATOM 259 O GLY A 81 -9.614 3.866 -0.440 1.00 0.00 O ATOM 0 H GLY A 81 -10.160 1.178 -1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.175 2.713 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.917 2.898 -3.117 1.00 0.00 H new ATOM 263 N PHE A 82 -8.100 4.829 -1.796 1.00 0.00 N ATOM 264 CA PHE A 82 -7.893 5.982 -0.933 1.00 0.00 C ATOM 265 C PHE A 82 -7.603 7.223 -1.757 1.00 0.00 C ATOM 266 O PHE A 82 -7.514 7.162 -2.984 1.00 0.00 O ATOM 267 CB PHE A 82 -6.743 5.730 0.043 1.00 0.00 C ATOM 268 CG PHE A 82 -5.611 4.924 -0.537 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.774 3.578 -0.817 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.382 5.513 -0.798 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.736 2.836 -1.348 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.339 4.771 -1.327 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.519 3.433 -1.603 1.00 0.00 C ATOM 0 H PHE A 82 -7.543 4.836 -2.650 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.809 6.142 -0.364 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.354 6.689 0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.132 5.212 0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.723 3.102 -0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.237 6.562 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.878 1.787 -1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.386 5.240 -1.523 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.708 2.853 -2.018 1.00 0.00 H new ATOM 283 N GLU A 83 -7.460 8.351 -1.080 1.00 0.00 N ATOM 284 CA GLU A 83 -7.184 9.607 -1.753 1.00 0.00 C ATOM 285 C GLU A 83 -5.754 10.063 -1.493 1.00 0.00 C ATOM 286 O GLU A 83 -5.048 9.485 -0.668 1.00 0.00 O ATOM 287 CB GLU A 83 -8.169 10.671 -1.271 1.00 0.00 C ATOM 288 CG GLU A 83 -9.238 11.012 -2.291 1.00 0.00 C ATOM 289 CD GLU A 83 -9.438 12.507 -2.453 1.00 0.00 C ATOM 290 OE1 GLU A 83 -8.474 13.194 -2.850 1.00 0.00 O ATOM 291 OE2 GLU A 83 -10.558 12.989 -2.181 1.00 0.00 O ATOM 0 H GLU A 83 -7.531 8.421 -0.065 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.301 9.460 -2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.649 10.323 -0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.618 11.577 -1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.966 10.580 -3.254 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.180 10.554 -1.990 1.00 0.00 H new ATOM 298 N LYS A 84 -5.335 11.113 -2.188 1.00 0.00 N ATOM 299 CA LYS A 84 -3.997 11.650 -2.003 1.00 0.00 C ATOM 300 C LYS A 84 -3.926 12.347 -0.650 1.00 0.00 C ATOM 301 O LYS A 84 -4.771 13.182 -0.325 1.00 0.00 O ATOM 302 CB LYS A 84 -3.642 12.604 -3.147 1.00 0.00 C ATOM 303 CG LYS A 84 -2.532 13.594 -2.815 1.00 0.00 C ATOM 304 CD LYS A 84 -2.643 14.855 -3.654 1.00 0.00 C ATOM 305 CE LYS A 84 -2.120 14.635 -5.064 1.00 0.00 C ATOM 306 NZ LYS A 84 -1.735 15.916 -5.720 1.00 0.00 N ATOM 0 H LYS A 84 -5.900 11.606 -2.880 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.267 10.841 -2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.342 12.017 -4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.535 13.160 -3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.579 13.854 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.562 13.126 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.684 15.174 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.082 15.660 -3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.257 13.970 -5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.884 14.137 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.384 15.723 -6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.564 16.541 -5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.988 16.380 -5.165 1.00 0.00 H new ATOM 320 N GLY A 85 -2.939 11.970 0.152 1.00 0.00 N ATOM 321 CA GLY A 85 -2.807 12.537 1.480 1.00 0.00 C ATOM 322 C GLY A 85 -3.622 11.759 2.494 1.00 0.00 C ATOM 323 O GLY A 85 -3.415 11.889 3.701 1.00 0.00 O ATOM 0 H GLY A 85 -2.227 11.282 -0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.758 12.536 1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.134 13.577 1.468 1.00 0.00 H new ATOM 327 N GLU A 86 -4.542 10.929 1.997 1.00 0.00 N ATOM 328 CA GLU A 86 -5.378 10.103 2.853 1.00 0.00 C ATOM 329 C GLU A 86 -4.510 9.295 3.796 1.00 0.00 C ATOM 330 O GLU A 86 -3.304 9.179 3.590 1.00 0.00 O ATOM 331 CB GLU A 86 -6.223 9.156 1.996 1.00 0.00 C ATOM 332 CG GLU A 86 -7.643 8.898 2.491 1.00 0.00 C ATOM 333 CD GLU A 86 -8.041 9.722 3.705 1.00 0.00 C ATOM 334 OE1 GLU A 86 -8.297 10.933 3.542 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.095 9.154 4.815 1.00 0.00 O ATOM 0 H GLU A 86 -4.723 10.815 1.000 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.037 10.748 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.279 9.563 0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.704 8.200 1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.341 9.106 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.744 7.840 2.735 1.00 0.00 H new ATOM 342 N GLN A 87 -5.123 8.730 4.818 1.00 0.00 N ATOM 343 CA GLN A 87 -4.384 7.930 5.781 1.00 0.00 C ATOM 344 C GLN A 87 -4.947 6.527 5.875 1.00 0.00 C ATOM 345 O GLN A 87 -6.149 6.304 5.731 1.00 0.00 O ATOM 346 CB GLN A 87 -4.385 8.591 7.156 1.00 0.00 C ATOM 347 CG GLN A 87 -4.133 10.084 7.103 1.00 0.00 C ATOM 348 CD GLN A 87 -4.941 10.852 8.131 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.474 11.924 7.844 1.00 0.00 O ATOM 350 NE2 GLN A 87 -5.038 10.306 9.338 1.00 0.00 N ATOM 0 H GLN A 87 -6.123 8.808 5.004 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.354 7.863 5.429 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.345 8.408 7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.622 8.122 7.777 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.072 10.275 7.265 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.375 10.454 6.107 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.580 9.416 9.533 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.570 10.777 10.070 1.00 0.00 H new ATOM 359 N LEU A 88 -4.053 5.590 6.120 1.00 0.00 N ATOM 360 CA LEU A 88 -4.411 4.186 6.243 1.00 0.00 C ATOM 361 C LEU A 88 -3.512 3.504 7.248 1.00 0.00 C ATOM 362 O LEU A 88 -2.287 3.571 7.149 1.00 0.00 O ATOM 363 CB LEU A 88 -4.289 3.456 4.906 1.00 0.00 C ATOM 364 CG LEU A 88 -4.503 4.308 3.656 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.429 4.003 2.626 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.887 4.056 3.087 1.00 0.00 C ATOM 0 H LEU A 88 -3.058 5.778 6.240 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.449 4.145 6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.298 3.006 4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.011 2.640 4.893 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.429 5.362 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.591 4.616 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.448 4.225 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.476 2.949 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.031 4.667 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.986 3.003 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.639 4.317 3.831 1.00 0.00 H new ATOM 378 N ARG A 89 -4.123 2.830 8.198 1.00 0.00 N ATOM 379 CA ARG A 89 -3.381 2.118 9.203 1.00 0.00 C ATOM 380 C ARG A 89 -2.907 0.792 8.629 1.00 0.00 C ATOM 381 O ARG A 89 -3.683 -0.150 8.476 1.00 0.00 O ATOM 382 CB ARG A 89 -4.250 1.911 10.433 1.00 0.00 C ATOM 383 CG ARG A 89 -3.668 0.913 11.395 1.00 0.00 C ATOM 384 CD ARG A 89 -4.495 0.819 12.659 1.00 0.00 C ATOM 385 NE ARG A 89 -3.744 0.221 13.758 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.306 -0.407 14.789 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.626 -0.515 14.873 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.544 -0.926 15.743 1.00 0.00 N ATOM 0 H ARG A 89 -5.137 2.763 8.291 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.507 2.696 9.504 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.384 2.865 10.943 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.239 1.575 10.121 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.616 -0.066 10.919 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.647 1.200 11.647 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.830 1.815 12.948 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.389 0.226 12.465 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.726 0.288 13.735 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.218 -0.115 14.145 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.049 -0.998 15.666 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.529 -0.844 15.686 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.973 -1.407 16.533 1.00 0.00 H new ATOM 402 N ILE A 90 -1.632 0.745 8.286 1.00 0.00 N ATOM 403 CA ILE A 90 -1.039 -0.441 7.690 1.00 0.00 C ATOM 404 C ILE A 90 -1.172 -1.659 8.586 1.00 0.00 C ATOM 405 O ILE A 90 -0.566 -1.741 9.655 1.00 0.00 O ATOM 406 CB ILE A 90 0.449 -0.217 7.340 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.609 1.052 6.506 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.012 -1.412 6.588 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.003 0.957 5.124 1.00 0.00 C ATOM 0 H ILE A 90 -0.982 1.521 8.411 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.594 -0.629 6.771 1.00 0.00 H new ATOM 0 HB ILE A 90 1.006 -0.103 8.270 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.152 1.886 7.039 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.670 1.280 6.408 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.061 -1.232 6.352 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.927 -2.305 7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.452 -1.557 5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.151 1.896 4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.470 0.145 4.571 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.072 0.761 5.212 1.00 0.00 H new ATOM 421 N LEU A 91 -1.957 -2.614 8.113 1.00 0.00 N ATOM 422 CA LEU A 91 -2.178 -3.860 8.820 1.00 0.00 C ATOM 423 C LEU A 91 -0.993 -4.772 8.581 1.00 0.00 C ATOM 424 O LEU A 91 -0.435 -5.359 9.508 1.00 0.00 O ATOM 425 CB LEU A 91 -3.461 -4.507 8.310 1.00 0.00 C ATOM 426 CG LEU A 91 -4.663 -3.558 8.265 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.890 -4.239 7.690 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.955 -3.003 9.651 1.00 0.00 C ATOM 0 H LEU A 91 -2.458 -2.544 7.227 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.280 -3.678 9.890 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.284 -4.900 7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.706 -5.356 8.948 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.408 -2.730 7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.722 -3.536 7.674 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.678 -4.574 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.153 -5.098 8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.812 -2.331 9.601 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.178 -3.824 10.332 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.085 -2.456 10.014 1.00 0.00 H new ATOM 440 N GLU A 92 -0.600 -4.851 7.319 1.00 0.00 N ATOM 441 CA GLU A 92 0.540 -5.648 6.916 1.00 0.00 C ATOM 442 C GLU A 92 1.267 -4.968 5.770 1.00 0.00 C ATOM 443 O GLU A 92 0.646 -4.479 4.830 1.00 0.00 O ATOM 444 CB GLU A 92 0.113 -7.057 6.526 1.00 0.00 C ATOM 445 CG GLU A 92 0.752 -8.114 7.401 1.00 0.00 C ATOM 446 CD GLU A 92 -0.258 -8.886 8.227 1.00 0.00 C ATOM 447 OE1 GLU A 92 -0.824 -9.868 7.705 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.482 -8.508 9.397 1.00 0.00 O ATOM 0 H GLU A 92 -1.063 -4.365 6.551 1.00 0.00 H new ATOM 0 HA GLU A 92 1.221 -5.733 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.972 -7.138 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.380 -7.240 5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.309 -8.810 6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.472 -7.640 8.068 1.00 0.00 H new ATOM 455 N GLN A 93 2.585 -4.915 5.866 1.00 0.00 N ATOM 456 CA GLN A 93 3.391 -4.265 4.845 1.00 0.00 C ATOM 457 C GLN A 93 4.367 -5.239 4.208 1.00 0.00 C ATOM 458 O GLN A 93 5.488 -4.876 3.855 1.00 0.00 O ATOM 459 CB GLN A 93 4.134 -3.082 5.449 1.00 0.00 C ATOM 460 CG GLN A 93 4.534 -3.327 6.875 1.00 0.00 C ATOM 461 CD GLN A 93 5.162 -2.117 7.540 1.00 0.00 C ATOM 462 OE1 GLN A 93 6.215 -2.219 8.170 1.00 0.00 O ATOM 463 NE2 GLN A 93 4.517 -0.963 7.407 1.00 0.00 N ATOM 0 H GLN A 93 3.119 -5.313 6.638 1.00 0.00 H new ATOM 0 HA GLN A 93 2.725 -3.906 4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.024 -2.874 4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.502 -2.195 5.399 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.655 -3.630 7.444 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.238 -4.158 6.910 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.647 -0.923 6.876 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.892 -0.117 7.836 1.00 0.00 H new ATOM 472 N SER A 94 3.923 -6.477 4.052 1.00 0.00 N ATOM 473 CA SER A 94 4.744 -7.508 3.440 1.00 0.00 C ATOM 474 C SER A 94 4.430 -7.607 1.954 1.00 0.00 C ATOM 475 O SER A 94 3.284 -7.832 1.565 1.00 0.00 O ATOM 476 CB SER A 94 4.507 -8.856 4.123 1.00 0.00 C ATOM 477 OG SER A 94 3.427 -8.787 5.036 1.00 0.00 O ATOM 0 H SER A 94 2.997 -6.791 4.342 1.00 0.00 H new ATOM 0 HA SER A 94 5.793 -7.240 3.563 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.301 -9.617 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.411 -9.164 4.648 1.00 0.00 H new ATOM 0 HG SER A 94 3.297 -9.663 5.456 1.00 0.00 H new ATOM 483 N GLY A 95 5.449 -7.426 1.127 1.00 0.00 N ATOM 484 CA GLY A 95 5.251 -7.488 -0.308 1.00 0.00 C ATOM 485 C GLY A 95 4.943 -6.140 -0.912 1.00 0.00 C ATOM 486 O GLY A 95 4.511 -5.218 -0.222 1.00 0.00 O ATOM 0 H GLY A 95 6.407 -7.238 1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.147 -7.896 -0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.435 -8.176 -0.529 1.00 0.00 H new ATOM 490 N GLU A 96 5.166 -6.038 -2.213 1.00 0.00 N ATOM 491 CA GLU A 96 4.915 -4.812 -2.951 1.00 0.00 C ATOM 492 C GLU A 96 3.522 -4.247 -2.643 1.00 0.00 C ATOM 493 O GLU A 96 3.266 -3.063 -2.855 1.00 0.00 O ATOM 494 CB GLU A 96 5.072 -5.085 -4.444 1.00 0.00 C ATOM 495 CG GLU A 96 4.107 -4.304 -5.288 1.00 0.00 C ATOM 496 CD GLU A 96 4.368 -4.443 -6.775 1.00 0.00 C ATOM 497 OE1 GLU A 96 5.456 -4.029 -7.228 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.485 -4.967 -7.486 1.00 0.00 O ATOM 0 H GLU A 96 5.525 -6.802 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 96 5.641 -4.060 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.090 -4.842 -4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.930 -6.150 -4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.092 -4.637 -5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.163 -3.251 -5.013 1.00 0.00 H new ATOM 505 N TRP A 97 2.624 -5.093 -2.148 1.00 0.00 N ATOM 506 CA TRP A 97 1.274 -4.659 -1.818 1.00 0.00 C ATOM 507 C TRP A 97 1.042 -4.721 -0.310 1.00 0.00 C ATOM 508 O TRP A 97 0.992 -5.802 0.277 1.00 0.00 O ATOM 509 CB TRP A 97 0.254 -5.524 -2.555 1.00 0.00 C ATOM 510 CG TRP A 97 0.098 -5.134 -3.992 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.837 -5.583 -5.047 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.845 -4.201 -4.528 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.415 -4.981 -6.209 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.617 -4.130 -5.916 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.859 -3.419 -3.971 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.366 -3.304 -6.750 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.600 -2.602 -4.798 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.351 -2.549 -6.175 1.00 0.00 C ATOM 0 H TRP A 97 2.807 -6.080 -1.968 1.00 0.00 H new ATOM 0 HA TRP A 97 1.151 -3.624 -2.136 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.560 -6.569 -2.497 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.711 -5.447 -2.055 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.637 -6.306 -4.979 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.806 -5.142 -7.137 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.059 -3.454 -2.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.176 -3.261 -7.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.386 -1.993 -4.377 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.949 -1.898 -6.796 1.00 0.00 H new ATOM 529 N TRP A 98 0.916 -3.550 0.312 1.00 0.00 N ATOM 530 CA TRP A 98 0.708 -3.468 1.754 1.00 0.00 C ATOM 531 C TRP A 98 -0.769 -3.415 2.119 1.00 0.00 C ATOM 532 O TRP A 98 -1.547 -2.682 1.509 1.00 0.00 O ATOM 533 CB TRP A 98 1.403 -2.234 2.325 1.00 0.00 C ATOM 534 CG TRP A 98 2.895 -2.329 2.317 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.654 -3.348 1.826 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.806 -1.363 2.838 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.988 -3.075 2.013 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.106 -1.855 2.630 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.640 -0.130 3.458 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.239 -1.146 3.024 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.761 0.577 3.850 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.048 0.068 3.630 1.00 0.00 C ATOM 0 H TRP A 98 0.954 -2.647 -0.161 1.00 0.00 H new ATOM 0 HA TRP A 98 1.137 -4.373 2.185 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.100 -1.359 1.751 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.063 -2.077 3.349 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.264 -4.240 1.358 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.762 -3.679 1.738 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.651 0.269 3.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.231 -1.539 2.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.643 1.536 4.333 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.906 0.644 3.944 1.00 0.00 H new ATOM 553 N LYS A 99 -1.133 -4.170 3.145 1.00 0.00 N ATOM 554 CA LYS A 99 -2.500 -4.190 3.635 1.00 0.00 C ATOM 555 C LYS A 99 -2.710 -3.019 4.582 1.00 0.00 C ATOM 556 O LYS A 99 -2.092 -2.958 5.642 1.00 0.00 O ATOM 557 CB LYS A 99 -2.789 -5.503 4.370 1.00 0.00 C ATOM 558 CG LYS A 99 -4.169 -5.565 5.005 1.00 0.00 C ATOM 559 CD LYS A 99 -5.205 -4.882 4.142 1.00 0.00 C ATOM 560 CE LYS A 99 -6.615 -5.305 4.519 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.311 -5.991 3.397 1.00 0.00 N ATOM 0 H LYS A 99 -0.495 -4.780 3.656 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.181 -4.109 2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.686 -6.331 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.037 -5.647 5.145 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.453 -6.606 5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.141 -5.091 5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.109 -3.801 4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.021 -5.120 3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.575 -5.970 5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.188 -4.428 4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.267 -5.596 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.775 -5.849 2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.378 -7.009 3.600 1.00 0.00 H new ATOM 575 N ALA A 100 -3.569 -2.084 4.200 1.00 0.00 N ATOM 576 CA ALA A 100 -3.825 -0.921 5.036 1.00 0.00 C ATOM 577 C ALA A 100 -5.279 -0.832 5.442 1.00 0.00 C ATOM 578 O ALA A 100 -6.177 -1.130 4.656 1.00 0.00 O ATOM 579 CB ALA A 100 -3.419 0.359 4.322 1.00 0.00 C ATOM 0 H ALA A 100 -4.095 -2.107 3.326 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.223 -1.038 5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.620 1.215 4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.355 0.323 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.991 0.458 3.399 1.00 0.00 H new ATOM 585 N GLN A 101 -5.505 -0.377 6.663 1.00 0.00 N ATOM 586 CA GLN A 101 -6.851 -0.195 7.154 1.00 0.00 C ATOM 587 C GLN A 101 -7.111 1.289 7.270 1.00 0.00 C ATOM 588 O GLN A 101 -6.533 1.969 8.116 1.00 0.00 O ATOM 589 CB GLN A 101 -7.059 -0.881 8.502 1.00 0.00 C ATOM 590 CG GLN A 101 -8.396 -0.564 9.129 1.00 0.00 C ATOM 591 CD GLN A 101 -8.458 -0.919 10.600 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.962 -1.978 10.975 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.943 -0.032 11.443 1.00 0.00 N ATOM 0 H GLN A 101 -4.772 -0.129 7.328 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.553 -0.653 6.457 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.973 -1.960 8.371 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.264 -0.578 9.183 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.605 0.499 9.008 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.178 -1.105 8.597 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.535 0.833 11.087 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.955 -0.215 12.446 1.00 0.00 H new ATOM 602 N SER A 102 -7.974 1.791 6.409 1.00 0.00 N ATOM 603 CA SER A 102 -8.302 3.196 6.401 1.00 0.00 C ATOM 604 C SER A 102 -8.644 3.664 7.807 1.00 0.00 C ATOM 605 O SER A 102 -8.797 2.853 8.720 1.00 0.00 O ATOM 606 CB SER A 102 -9.459 3.430 5.443 1.00 0.00 C ATOM 607 OG SER A 102 -9.041 4.153 4.299 1.00 0.00 O ATOM 0 H SER A 102 -8.462 1.240 5.703 1.00 0.00 H new ATOM 0 HA SER A 102 -7.444 3.776 6.062 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.880 2.472 5.137 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.251 3.978 5.953 1.00 0.00 H new ATOM 0 HG SER A 102 -9.805 4.287 3.700 1.00 0.00 H new ATOM 613 N LEU A 103 -8.733 4.967 7.990 1.00 0.00 N ATOM 614 CA LEU A 103 -9.032 5.513 9.306 1.00 0.00 C ATOM 615 C LEU A 103 -10.226 6.453 9.275 1.00 0.00 C ATOM 616 O LEU A 103 -10.904 6.642 10.284 1.00 0.00 O ATOM 617 CB LEU A 103 -7.799 6.204 9.858 1.00 0.00 C ATOM 618 CG LEU A 103 -6.716 5.225 10.313 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.674 5.065 9.227 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.073 5.663 11.618 1.00 0.00 C ATOM 0 H LEU A 103 -8.605 5.663 7.256 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.306 4.690 9.966 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.387 6.863 9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.089 6.833 10.700 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.189 4.260 10.496 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.906 4.366 9.559 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.147 4.682 8.323 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.217 6.032 9.016 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.309 4.941 11.907 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.615 6.643 11.487 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.833 5.719 12.397 1.00 0.00 H new ATOM 632 N THR A 104 -10.502 7.013 8.109 1.00 0.00 N ATOM 633 CA THR A 104 -11.635 7.896 7.946 1.00 0.00 C ATOM 634 C THR A 104 -12.884 7.059 7.721 1.00 0.00 C ATOM 635 O THR A 104 -13.961 7.344 8.246 1.00 0.00 O ATOM 636 CB THR A 104 -11.399 8.818 6.758 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.034 9.185 6.668 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.209 10.076 6.839 1.00 0.00 C ATOM 0 H THR A 104 -9.953 6.869 7.262 1.00 0.00 H new ATOM 0 HA THR A 104 -11.764 8.505 8.841 1.00 0.00 H new ATOM 0 HB THR A 104 -11.706 8.254 5.877 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.710 9.021 5.758 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.003 10.698 5.968 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.269 9.825 6.863 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.944 10.621 7.745 1.00 0.00 H new ATOM 646 N THR A 105 -12.699 6.015 6.933 1.00 0.00 N ATOM 647 CA THR A 105 -13.746 5.070 6.590 1.00 0.00 C ATOM 648 C THR A 105 -13.466 3.736 7.265 1.00 0.00 C ATOM 649 O THR A 105 -14.366 3.015 7.694 1.00 0.00 O ATOM 650 CB THR A 105 -13.748 4.876 5.081 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.922 3.785 4.710 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.263 6.087 4.318 1.00 0.00 C ATOM 0 H THR A 105 -11.799 5.796 6.505 1.00 0.00 H new ATOM 0 HA THR A 105 -14.713 5.448 6.923 1.00 0.00 H new ATOM 0 HB THR A 105 -14.791 4.692 4.821 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.427 4.012 3.895 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.291 5.878 3.249 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.907 6.938 4.539 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.241 6.319 4.616 1.00 0.00 H new ATOM 660 N GLY A 106 -12.181 3.445 7.331 1.00 0.00 N ATOM 661 CA GLY A 106 -11.673 2.238 7.918 1.00 0.00 C ATOM 662 C GLY A 106 -11.719 1.053 6.981 1.00 0.00 C ATOM 663 O GLY A 106 -11.290 -0.043 7.340 1.00 0.00 O ATOM 0 H GLY A 106 -11.452 4.060 6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.643 2.402 8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.250 2.007 8.814 1.00 0.00 H new ATOM 667 N GLN A 107 -12.222 1.267 5.769 1.00 0.00 N ATOM 668 CA GLN A 107 -12.297 0.213 4.789 1.00 0.00 C ATOM 669 C GLN A 107 -10.960 -0.492 4.641 1.00 0.00 C ATOM 670 O GLN A 107 -9.936 0.133 4.366 1.00 0.00 O ATOM 671 CB GLN A 107 -12.758 0.794 3.474 1.00 0.00 C ATOM 672 CG GLN A 107 -14.261 0.860 3.395 1.00 0.00 C ATOM 673 CD GLN A 107 -14.809 2.253 3.631 1.00 0.00 C ATOM 674 OE1 GLN A 107 -15.460 2.514 4.642 1.00 0.00 O ATOM 675 NE2 GLN A 107 -14.547 3.157 2.695 1.00 0.00 N ATOM 0 H GLN A 107 -12.582 2.167 5.451 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.017 -0.535 5.120 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.342 1.794 3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.376 0.187 2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.583 0.511 2.414 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.688 0.179 4.131 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.003 2.897 1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.890 4.112 2.798 1.00 0.00 H new ATOM 684 N GLU A 108 -10.983 -1.796 4.850 1.00 0.00 N ATOM 685 CA GLU A 108 -9.772 -2.601 4.769 1.00 0.00 C ATOM 686 C GLU A 108 -9.543 -3.128 3.357 1.00 0.00 C ATOM 687 O GLU A 108 -10.490 -3.457 2.642 1.00 0.00 O ATOM 688 CB GLU A 108 -9.845 -3.761 5.758 1.00 0.00 C ATOM 689 CG GLU A 108 -10.040 -3.320 7.195 1.00 0.00 C ATOM 690 CD GLU A 108 -11.199 -4.025 7.874 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.496 -5.178 7.495 1.00 0.00 O ATOM 692 OE2 GLU A 108 -11.807 -3.425 8.784 1.00 0.00 O ATOM 0 H GLU A 108 -11.826 -2.323 5.077 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.928 -1.961 5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.666 -4.419 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.928 -4.346 5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.125 -3.511 7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.210 -2.244 7.220 1.00 0.00 H new ATOM 699 N GLY A 109 -8.275 -3.205 2.968 1.00 0.00 N ATOM 700 CA GLY A 109 -7.931 -3.692 1.647 1.00 0.00 C ATOM 701 C GLY A 109 -6.447 -3.575 1.357 1.00 0.00 C ATOM 702 O GLY A 109 -5.682 -3.086 2.187 1.00 0.00 O ATOM 0 H GLY A 109 -7.478 -2.938 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.235 -4.735 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.490 -3.131 0.899 1.00 0.00 H new ATOM 706 N PHE A 110 -6.044 -4.026 0.176 1.00 0.00 N ATOM 707 CA PHE A 110 -4.650 -3.978 -0.231 1.00 0.00 C ATOM 708 C PHE A 110 -4.329 -2.643 -0.892 1.00 0.00 C ATOM 709 O PHE A 110 -5.179 -2.053 -1.558 1.00 0.00 O ATOM 710 CB PHE A 110 -4.359 -5.127 -1.192 1.00 0.00 C ATOM 711 CG PHE A 110 -3.738 -6.323 -0.528 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.228 -6.792 0.682 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.667 -6.978 -1.113 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.660 -7.892 1.295 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.094 -8.079 -0.504 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.592 -8.537 0.701 1.00 0.00 C ATOM 0 H PHE A 110 -6.670 -4.432 -0.520 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.020 -4.080 0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.288 -5.431 -1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.693 -4.772 -1.979 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.063 -6.292 1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.275 -6.625 -2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.050 -8.247 2.237 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.258 -8.580 -0.969 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.147 -9.398 1.178 1.00 0.00 H new ATOM 726 N ILE A 111 -3.107 -2.164 -0.702 1.00 0.00 N ATOM 727 CA ILE A 111 -2.701 -0.891 -1.282 1.00 0.00 C ATOM 728 C ILE A 111 -1.254 -0.916 -1.768 1.00 0.00 C ATOM 729 O ILE A 111 -0.375 -1.499 -1.133 1.00 0.00 O ATOM 730 CB ILE A 111 -2.865 0.261 -0.266 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.895 0.074 0.902 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.300 0.334 0.230 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.384 1.369 1.490 1.00 0.00 C ATOM 0 H ILE A 111 -2.385 -2.633 -0.155 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.354 -0.723 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.631 1.203 -0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.392 -0.498 1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.046 -0.520 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.397 1.151 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.968 0.509 -0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.566 -0.605 0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.702 1.151 2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.857 1.934 0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.224 1.957 1.861 1.00 0.00 H new ATOM 745 N PRO A 112 -0.995 -0.258 -2.903 1.00 0.00 N ATOM 746 CA PRO A 112 0.338 -0.165 -3.485 1.00 0.00 C ATOM 747 C PRO A 112 1.360 0.327 -2.461 1.00 0.00 C ATOM 748 O PRO A 112 1.300 1.472 -2.014 1.00 0.00 O ATOM 749 CB PRO A 112 0.179 0.856 -4.626 1.00 0.00 C ATOM 750 CG PRO A 112 -1.183 1.448 -4.460 1.00 0.00 C ATOM 751 CD PRO A 112 -1.991 0.457 -3.691 1.00 0.00 C ATOM 0 HA PRO A 112 0.704 -1.132 -3.829 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.949 1.626 -4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.279 0.374 -5.598 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.130 2.399 -3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.638 1.649 -5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.729 0.947 -3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.537 -0.215 -4.353 1.00 0.00 H new ATOM 759 N PHE A 113 2.285 -0.549 -2.076 1.00 0.00 N ATOM 760 CA PHE A 113 3.303 -0.203 -1.085 1.00 0.00 C ATOM 761 C PHE A 113 4.049 1.081 -1.456 1.00 0.00 C ATOM 762 O PHE A 113 4.607 1.753 -0.588 1.00 0.00 O ATOM 763 CB PHE A 113 4.291 -1.364 -0.905 1.00 0.00 C ATOM 764 CG PHE A 113 5.397 -1.399 -1.927 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.127 -1.212 -3.273 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.709 -1.617 -1.536 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.143 -1.241 -4.210 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.729 -1.648 -2.467 1.00 0.00 C ATOM 769 CZ PHE A 113 7.445 -1.459 -3.806 1.00 0.00 C ATOM 0 H PHE A 113 2.351 -1.502 -2.434 1.00 0.00 H new ATOM 0 HA PHE A 113 2.791 -0.022 -0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.733 -1.299 0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.741 -2.304 -0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.110 -1.041 -3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.936 -1.764 -0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.919 -1.093 -5.256 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.747 -1.820 -2.149 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.241 -1.482 -4.536 1.00 0.00 H new ATOM 779 N ASN A 114 4.061 1.415 -2.742 1.00 0.00 N ATOM 780 CA ASN A 114 4.745 2.615 -3.209 1.00 0.00 C ATOM 781 C ASN A 114 3.757 3.753 -3.449 1.00 0.00 C ATOM 782 O ASN A 114 3.960 4.588 -4.330 1.00 0.00 O ATOM 783 CB ASN A 114 5.514 2.315 -4.497 1.00 0.00 C ATOM 784 CG ASN A 114 4.668 1.580 -5.519 1.00 0.00 C ATOM 785 OD1 ASN A 114 3.510 1.252 -5.264 1.00 0.00 O ATOM 786 ND2 ASN A 114 5.247 1.316 -6.685 1.00 0.00 N ATOM 0 H ASN A 114 3.606 0.874 -3.477 1.00 0.00 H new ATOM 0 HA ASN A 114 5.445 2.927 -2.434 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.871 3.250 -4.930 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.394 1.717 -4.260 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.729 0.823 -7.412 1.00 0.00 H new ATOM 0 HD22 ASN A 114 6.210 1.607 -6.854 1.00 0.00 H new ATOM 793 N PHE A 115 2.685 3.777 -2.664 1.00 0.00 N ATOM 794 CA PHE A 115 1.663 4.810 -2.799 1.00 0.00 C ATOM 795 C PHE A 115 1.517 5.638 -1.526 1.00 0.00 C ATOM 796 O PHE A 115 1.057 6.778 -1.571 1.00 0.00 O ATOM 797 CB PHE A 115 0.314 4.170 -3.126 1.00 0.00 C ATOM 798 CG PHE A 115 -0.317 4.698 -4.377 1.00 0.00 C ATOM 799 CD1 PHE A 115 0.417 4.827 -5.544 1.00 0.00 C ATOM 800 CD2 PHE A 115 -1.649 5.065 -4.382 1.00 0.00 C ATOM 801 CE1 PHE A 115 -0.172 5.315 -6.695 1.00 0.00 C ATOM 802 CE2 PHE A 115 -2.242 5.552 -5.524 1.00 0.00 C ATOM 803 CZ PHE A 115 -1.505 5.677 -6.686 1.00 0.00 C ATOM 0 H PHE A 115 2.501 3.094 -1.929 1.00 0.00 H new ATOM 0 HA PHE A 115 1.978 5.471 -3.606 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.448 3.093 -3.224 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.367 4.332 -2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.459 4.544 -5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.232 4.968 -3.478 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.409 5.413 -7.600 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.284 5.837 -5.512 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.970 6.056 -7.584 1.00 0.00 H new ATOM 813 N VAL A 116 1.872 5.051 -0.388 1.00 0.00 N ATOM 814 CA VAL A 116 1.730 5.740 0.888 1.00 0.00 C ATOM 815 C VAL A 116 3.064 6.035 1.562 1.00 0.00 C ATOM 816 O VAL A 116 4.035 5.293 1.419 1.00 0.00 O ATOM 817 CB VAL A 116 0.857 4.926 1.860 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.583 4.900 1.379 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.403 3.511 2.028 1.00 0.00 C ATOM 0 H VAL A 116 2.257 4.109 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 116 1.252 6.691 0.655 1.00 0.00 H new ATOM 0 HB VAL A 116 0.884 5.410 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.189 4.321 2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.967 5.919 1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.628 4.442 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.769 2.956 2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.413 3.008 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.418 3.557 2.424 1.00 0.00 H new ATOM 829 N ALA A 117 3.077 7.130 2.318 1.00 0.00 N ATOM 830 CA ALA A 117 4.255 7.558 3.057 1.00 0.00 C ATOM 831 C ALA A 117 3.846 7.985 4.463 1.00 0.00 C ATOM 832 O ALA A 117 2.788 8.583 4.649 1.00 0.00 O ATOM 833 CB ALA A 117 4.955 8.697 2.329 1.00 0.00 C ATOM 0 H ALA A 117 2.270 7.743 2.434 1.00 0.00 H new ATOM 0 HA ALA A 117 4.955 6.726 3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.834 9.005 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.261 8.362 1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.272 9.541 2.232 1.00 0.00 H new ATOM 839 N LYS A 118 4.676 7.664 5.451 1.00 0.00 N ATOM 840 CA LYS A 118 4.386 8.001 6.847 1.00 0.00 C ATOM 841 C LYS A 118 3.762 9.387 6.985 1.00 0.00 C ATOM 842 O LYS A 118 4.177 10.333 6.317 1.00 0.00 O ATOM 843 CB LYS A 118 5.665 7.928 7.684 1.00 0.00 C ATOM 844 CG LYS A 118 6.269 6.535 7.755 1.00 0.00 C ATOM 845 CD LYS A 118 5.214 5.492 8.080 1.00 0.00 C ATOM 846 CE LYS A 118 5.816 4.100 8.179 1.00 0.00 C ATOM 847 NZ LYS A 118 4.779 3.062 8.443 1.00 0.00 N ATOM 0 H LYS A 118 5.558 7.170 5.313 1.00 0.00 H new ATOM 0 HA LYS A 118 3.663 7.272 7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.402 8.613 7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.447 8.272 8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.742 6.293 6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.051 6.514 8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.728 5.747 9.022 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.443 5.502 7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.338 3.864 7.252 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.559 4.082 8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.237 2.193 8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 4.115 3.410 9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.261 2.857 7.565 1.00 0.00 H new ATOM 861 N ALA A 119 2.762 9.495 7.861 1.00 0.00 N ATOM 862 CA ALA A 119 2.080 10.769 8.098 1.00 0.00 C ATOM 863 C ALA A 119 2.995 11.756 8.818 1.00 0.00 C ATOM 864 O ALA A 119 2.643 12.294 9.868 1.00 0.00 O ATOM 865 CB ALA A 119 0.799 10.563 8.904 1.00 0.00 C ATOM 0 H ALA A 119 2.407 8.717 8.417 1.00 0.00 H new ATOM 0 HA ALA A 119 1.817 11.185 7.125 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.312 11.525 9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.126 9.904 8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.043 10.113 9.866 1.00 0.00 H new ATOM 871 N ASN A 120 4.171 11.989 8.249 1.00 0.00 N ATOM 872 CA ASN A 120 5.136 12.909 8.838 1.00 0.00 C ATOM 873 C ASN A 120 5.188 14.219 8.058 1.00 0.00 C ATOM 874 O ASN A 120 5.490 15.262 8.674 1.00 0.00 O ATOM 875 CB ASN A 120 6.525 12.270 8.875 1.00 0.00 C ATOM 876 CG ASN A 120 6.959 11.750 7.519 1.00 0.00 C ATOM 877 OD1 ASN A 120 6.707 12.379 6.490 1.00 0.00 O ATOM 878 ND2 ASN A 120 7.615 10.596 7.509 1.00 0.00 N ATOM 879 OXT ASN A 120 4.925 14.189 6.837 1.00 0.00 O ATOM 0 H ASN A 120 4.480 11.553 7.380 1.00 0.00 H new ATOM 0 HA ASN A 120 4.816 13.127 9.857 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.250 13.003 9.229 1.00 0.00 H new ATOM 0 HB3 ASN A 120 6.525 11.450 9.593 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.932 10.197 6.625 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.802 10.108 8.385 1.00 0.00 H new