USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 658 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 75 ASN :FLIP amide:sc= -4.7! C(o=-17!,f=-9.9!) USER MOD Set 1.2: A 77 THR OG1 : rot 86:sc= -5.24! USER MOD Set 2.1: A 43 CYS SG : rot 141:sc= -2 USER MOD Set 2.2: A 45 GLN :FLIP amide:sc= -2.89 F(o=-14!,f=-13) USER MOD Set 2.3: A 48 CYS SG : rot -150:sc= 0.0321 USER MOD Set 2.4: A 64 HIS : no HE2:sc= -4.63! X(o=-13!,f=-13) USER MOD Set 2.5: A 70 HIS :FLIP no HD1:sc= -3.62 X(o=-13,f=-13) USER MOD Set 3.1: A 30 CYS SG : rot -153:sc= -1.05! USER MOD Set 3.2: A 33 CYS SG : rot -152:sc= 0.0301 USER MOD Set 3.3: A 53 CYS SG : rot -115:sc= 1.46 USER MOD Set 3.4: A 60 HIS :FLIP no HD1:sc= -2.05 F(o=-4!,f=-1.6) USER MOD Set 4.1: A 31 GLN :FLIP amide:sc= -4.49! C(o=-7.3!,f=-5.9!) USER MOD Set 4.2: A 32 SER OG : rot -2:sc= -1.41! USER MOD Set 5.1: A 8 CYS SG : rot 149:sc= -4.65 USER MOD Set 5.2: A 10 HIS : no HD1:sc= -2.94! C(o=-19!,f=-24!) USER MOD Set 5.3: A 83 CYS SG : rot -158:sc= -5.22! USER MOD Set 5.4: A 86 CYS SG : rot 132:sc= -6.28! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.496 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= 1.19 (180deg=0.614) USER MOD Single : A 26 SER OG : rot -49:sc= -0.836 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0993 USER MOD Single : A 36 THR OG1 : rot -93:sc= -0.715! USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -150:sc= -1.74! USER MOD Single : A 61 SER OG : rot -119:sc= -0.433 USER MOD Single : A 62 THR OG1 : rot -53:sc= -0.0841! USER MOD Single : A 66 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.9!) USER MOD Single : A 68 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.455) USER MOD Single : A 69 LYS NZ :NH3+ 150:sc= -0.184 (180deg=-1.24!) USER MOD Single : A 71 ASN : amide:sc= -1.98! C(o=-2!,f=-2!) USER MOD Single : A 73 THR OG1 : rot 28:sc= -0.459! USER MOD Single : A 78 THR OG1 : rot -110:sc= -2.42! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -124:sc= -0.896 (180deg=-2.91!) USER MOD Single : A 94 GLN : amide:sc= -0.0773 X(o=-0.077,f=0) USER MOD ----------------------------------------------------------------- ATOM 72 N ASP A 6 12.797 5.618 5.717 1.00 0.00 N ATOM 73 CA ASP A 6 11.383 5.559 5.244 1.00 0.00 C ATOM 74 C ASP A 6 11.217 4.386 4.272 1.00 0.00 C ATOM 75 O ASP A 6 10.145 3.838 4.120 1.00 0.00 O ATOM 76 CB ASP A 6 11.045 6.871 4.526 1.00 0.00 C ATOM 77 CG ASP A 6 9.621 7.310 4.881 1.00 0.00 C ATOM 78 OD1 ASP A 6 9.365 8.502 4.853 1.00 0.00 O ATOM 79 OD2 ASP A 6 8.812 6.445 5.174 1.00 0.00 O ATOM 0 HA ASP A 6 10.714 5.419 6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.756 7.646 4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.136 6.739 3.448 1.00 0.00 H new ATOM 84 N LEU A 7 12.274 4.007 3.612 1.00 0.00 N ATOM 85 CA LEU A 7 12.190 2.878 2.642 1.00 0.00 C ATOM 86 C LEU A 7 12.101 1.543 3.395 1.00 0.00 C ATOM 87 O LEU A 7 12.455 1.447 4.553 1.00 0.00 O ATOM 88 CB LEU A 7 13.424 2.926 1.709 1.00 0.00 C ATOM 89 CG LEU A 7 14.551 1.959 2.149 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.845 2.085 3.656 1.00 0.00 C ATOM 91 CD2 LEU A 7 14.175 0.505 1.801 1.00 0.00 C ATOM 0 H LEU A 7 13.197 4.431 3.702 1.00 0.00 H new ATOM 0 HA LEU A 7 11.290 2.970 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.115 2.678 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.815 3.943 1.684 1.00 0.00 H new ATOM 0 HG LEU A 7 15.456 2.234 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.641 1.392 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.157 3.105 3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.945 1.847 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.976 -0.163 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.253 0.234 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 7 14.029 0.415 0.725 1.00 0.00 H new ATOM 103 N CYS A 8 11.624 0.514 2.741 1.00 0.00 N ATOM 104 CA CYS A 8 11.508 -0.823 3.400 1.00 0.00 C ATOM 105 C CYS A 8 12.161 -1.875 2.494 1.00 0.00 C ATOM 106 O CYS A 8 12.325 -1.667 1.309 1.00 0.00 O ATOM 107 CB CYS A 8 10.022 -1.171 3.638 1.00 0.00 C ATOM 108 SG CYS A 8 9.603 -2.750 2.833 1.00 0.00 S ATOM 0 H CYS A 8 11.308 0.543 1.772 1.00 0.00 H new ATOM 0 HA CYS A 8 12.013 -0.805 4.366 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.824 -1.237 4.708 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.388 -0.376 3.245 1.00 0.00 H new ATOM 0 HG CYS A 8 8.672 -3.350 3.513 1.00 0.00 H new ATOM 113 N PRO A 9 12.535 -2.993 3.049 1.00 0.00 N ATOM 114 CA PRO A 9 13.187 -4.103 2.286 1.00 0.00 C ATOM 115 C PRO A 9 12.336 -4.538 1.091 1.00 0.00 C ATOM 116 O PRO A 9 12.777 -4.540 -0.041 1.00 0.00 O ATOM 117 CB PRO A 9 13.280 -5.243 3.316 1.00 0.00 C ATOM 118 CG PRO A 9 12.316 -4.866 4.391 1.00 0.00 C ATOM 119 CD PRO A 9 12.371 -3.348 4.459 1.00 0.00 C ATOM 0 HA PRO A 9 14.152 -3.810 1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.019 -6.202 2.869 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.292 -5.340 3.709 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.310 -5.214 4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.595 -5.314 5.345 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.461 -2.924 4.885 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.203 -2.996 5.069 1.00 0.00 H new ATOM 127 N HIS A 10 11.116 -4.904 1.352 1.00 0.00 N ATOM 128 CA HIS A 10 10.205 -5.344 0.253 1.00 0.00 C ATOM 129 C HIS A 10 9.714 -4.118 -0.517 1.00 0.00 C ATOM 130 O HIS A 10 8.969 -4.227 -1.469 1.00 0.00 O ATOM 131 CB HIS A 10 9.006 -6.101 0.848 1.00 0.00 C ATOM 132 CG HIS A 10 9.453 -6.868 2.061 1.00 0.00 C ATOM 133 ND1 HIS A 10 9.496 -6.303 3.335 1.00 0.00 N ATOM 134 CD2 HIS A 10 9.884 -8.163 2.207 1.00 0.00 C ATOM 135 CE1 HIS A 10 9.943 -7.259 4.175 1.00 0.00 C ATOM 136 NE2 HIS A 10 10.190 -8.404 3.539 1.00 0.00 N ATOM 0 H HIS A 10 10.704 -4.919 2.285 1.00 0.00 H new ATOM 0 HA HIS A 10 10.743 -6.006 -0.425 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.216 -5.400 1.118 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.588 -6.782 0.107 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.972 -8.884 1.408 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.084 -7.114 5.236 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.532 -9.275 3.946 1.00 0.00 H new ATOM 144 N LEU A 11 10.131 -2.953 -0.109 1.00 0.00 N ATOM 145 CA LEU A 11 9.695 -1.712 -0.807 1.00 0.00 C ATOM 146 C LEU A 11 10.413 -1.604 -2.153 1.00 0.00 C ATOM 147 O LEU A 11 9.910 -1.017 -3.090 1.00 0.00 O ATOM 148 CB LEU A 11 10.040 -0.507 0.073 1.00 0.00 C ATOM 149 CG LEU A 11 9.281 0.745 -0.403 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.843 1.578 0.809 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.192 1.593 -1.303 1.00 0.00 C ATOM 0 H LEU A 11 10.758 -2.806 0.682 1.00 0.00 H new ATOM 0 HA LEU A 11 8.620 -1.738 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.784 -0.722 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.114 -0.322 0.042 1.00 0.00 H new ATOM 0 HG LEU A 11 8.401 0.435 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.306 2.463 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.190 0.980 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.722 1.883 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.651 2.478 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.075 1.898 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.497 1.005 -2.169 1.00 0.00 H new ATOM 163 N ASP A 12 11.581 -2.171 -2.257 1.00 0.00 N ATOM 164 CA ASP A 12 12.330 -2.107 -3.544 1.00 0.00 C ATOM 165 C ASP A 12 11.878 -3.256 -4.449 1.00 0.00 C ATOM 166 O ASP A 12 12.037 -3.209 -5.653 1.00 0.00 O ATOM 167 CB ASP A 12 13.827 -2.240 -3.266 1.00 0.00 C ATOM 168 CG ASP A 12 14.593 -2.265 -4.589 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.802 -1.202 -5.151 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.958 -3.346 -5.020 1.00 0.00 O ATOM 0 H ASP A 12 12.051 -2.677 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 12 12.133 -1.154 -4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.169 -1.407 -2.652 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.023 -3.153 -2.703 1.00 0.00 H new ATOM 175 N SER A 13 11.324 -4.291 -3.878 1.00 0.00 N ATOM 176 CA SER A 13 10.870 -5.447 -4.704 1.00 0.00 C ATOM 177 C SER A 13 9.502 -5.141 -5.324 1.00 0.00 C ATOM 178 O SER A 13 9.187 -5.599 -6.404 1.00 0.00 O ATOM 179 CB SER A 13 10.759 -6.689 -3.818 1.00 0.00 C ATOM 180 OG SER A 13 10.676 -7.845 -4.640 1.00 0.00 O ATOM 0 H SER A 13 11.166 -4.386 -2.875 1.00 0.00 H new ATOM 0 HA SER A 13 11.592 -5.625 -5.501 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.624 -6.758 -3.159 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.878 -6.618 -3.180 1.00 0.00 H new ATOM 0 HG SER A 13 10.606 -8.643 -4.076 1.00 0.00 H new ATOM 186 N ILE A 14 8.686 -4.379 -4.649 1.00 0.00 N ATOM 187 CA ILE A 14 7.338 -4.057 -5.203 1.00 0.00 C ATOM 188 C ILE A 14 7.477 -3.101 -6.392 1.00 0.00 C ATOM 189 O ILE A 14 6.514 -2.506 -6.833 1.00 0.00 O ATOM 190 CB ILE A 14 6.477 -3.405 -4.120 1.00 0.00 C ATOM 191 CG1 ILE A 14 7.264 -2.299 -3.406 1.00 0.00 C ATOM 192 CG2 ILE A 14 6.067 -4.465 -3.092 1.00 0.00 C ATOM 193 CD1 ILE A 14 7.516 -1.121 -4.353 1.00 0.00 C ATOM 0 H ILE A 14 8.893 -3.966 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 14 6.862 -4.979 -5.538 1.00 0.00 H new ATOM 0 HB ILE A 14 5.593 -2.971 -4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.710 -1.958 -2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.214 -2.695 -3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.453 -4.003 -2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.497 -5.251 -3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.959 -4.896 -2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.076 -0.346 -3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 14 8.090 -1.463 -5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.562 -0.715 -4.690 1.00 0.00 H new ATOM 205 N GLY A 15 8.667 -2.955 -6.915 1.00 0.00 N ATOM 206 CA GLY A 15 8.881 -2.044 -8.083 1.00 0.00 C ATOM 207 C GLY A 15 8.008 -0.790 -7.952 1.00 0.00 C ATOM 208 O GLY A 15 7.876 -0.221 -6.887 1.00 0.00 O ATOM 0 H GLY A 15 9.506 -3.430 -6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.931 -1.759 -8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.640 -2.567 -9.009 1.00 0.00 H new ATOM 212 N GLU A 16 7.414 -0.355 -9.033 1.00 0.00 N ATOM 213 CA GLU A 16 6.548 0.861 -8.982 1.00 0.00 C ATOM 214 C GLU A 16 5.308 0.637 -9.853 1.00 0.00 C ATOM 215 O GLU A 16 5.340 0.812 -11.055 1.00 0.00 O ATOM 216 CB GLU A 16 7.337 2.072 -9.504 1.00 0.00 C ATOM 217 CG GLU A 16 6.385 3.247 -9.797 1.00 0.00 C ATOM 218 CD GLU A 16 6.068 3.301 -11.295 1.00 0.00 C ATOM 219 OE1 GLU A 16 6.982 3.122 -12.082 1.00 0.00 O ATOM 220 OE2 GLU A 16 4.916 3.525 -11.629 1.00 0.00 O ATOM 0 H GLU A 16 7.492 -0.791 -9.952 1.00 0.00 H new ATOM 0 HA GLU A 16 6.239 1.049 -7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.082 2.374 -8.767 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.878 1.799 -10.410 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.464 3.131 -9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.842 4.184 -9.479 1.00 0.00 H new ATOM 227 N VAL A 17 4.213 0.255 -9.253 1.00 0.00 N ATOM 228 CA VAL A 17 2.969 0.025 -10.041 1.00 0.00 C ATOM 229 C VAL A 17 2.512 1.362 -10.643 1.00 0.00 C ATOM 230 O VAL A 17 3.211 2.350 -10.567 1.00 0.00 O ATOM 231 CB VAL A 17 1.888 -0.556 -9.112 1.00 0.00 C ATOM 232 CG1 VAL A 17 1.089 0.574 -8.456 1.00 0.00 C ATOM 233 CG2 VAL A 17 0.941 -1.465 -9.912 1.00 0.00 C ATOM 0 H VAL A 17 4.127 0.092 -8.250 1.00 0.00 H new ATOM 0 HA VAL A 17 3.150 -0.683 -10.850 1.00 0.00 H new ATOM 0 HB VAL A 17 2.375 -1.143 -8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.328 0.149 -7.802 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.761 1.202 -7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.609 1.176 -9.228 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.179 -1.872 -9.247 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.462 -0.886 -10.702 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.510 -2.282 -10.355 1.00 0.00 H new ATOM 243 N THR A 18 1.347 1.410 -11.234 1.00 0.00 N ATOM 244 CA THR A 18 0.873 2.693 -11.825 1.00 0.00 C ATOM 245 C THR A 18 0.532 3.662 -10.694 1.00 0.00 C ATOM 246 O THR A 18 -0.161 3.321 -9.758 1.00 0.00 O ATOM 247 CB THR A 18 -0.373 2.428 -12.687 1.00 0.00 C ATOM 248 OG1 THR A 18 -0.798 1.086 -12.498 1.00 0.00 O ATOM 249 CG2 THR A 18 -0.039 2.650 -14.165 1.00 0.00 C ATOM 0 H THR A 18 0.708 0.621 -11.332 1.00 0.00 H new ATOM 0 HA THR A 18 1.651 3.127 -12.452 1.00 0.00 H new ATOM 0 HB THR A 18 -1.168 3.112 -12.391 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.593 0.915 -13.045 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.925 2.461 -14.771 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.289 3.679 -14.313 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.757 1.969 -14.464 1.00 0.00 H new ATOM 257 N LYS A 19 1.003 4.873 -10.777 1.00 0.00 N ATOM 258 CA LYS A 19 0.687 5.859 -9.709 1.00 0.00 C ATOM 259 C LYS A 19 -0.826 6.034 -9.701 1.00 0.00 C ATOM 260 O LYS A 19 -1.483 5.843 -8.698 1.00 0.00 O ATOM 261 CB LYS A 19 1.386 7.201 -9.998 1.00 0.00 C ATOM 262 CG LYS A 19 2.275 7.071 -11.244 1.00 0.00 C ATOM 263 CD LYS A 19 3.426 8.089 -11.180 1.00 0.00 C ATOM 264 CE LYS A 19 4.667 7.431 -10.566 1.00 0.00 C ATOM 265 NZ LYS A 19 5.617 8.486 -10.116 1.00 0.00 N ATOM 0 H LYS A 19 1.590 5.222 -11.534 1.00 0.00 H new ATOM 0 HA LYS A 19 1.040 5.511 -8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.642 7.983 -10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.989 7.499 -9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.677 6.060 -11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.681 7.237 -12.143 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.655 8.456 -12.180 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.128 8.952 -10.584 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.379 6.802 -9.723 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.148 6.782 -11.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.459 8.040 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.900 9.068 -10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.156 9.088 -9.404 1.00 0.00 H new ATOM 279 N GLU A 20 -1.386 6.357 -10.832 1.00 0.00 N ATOM 280 CA GLU A 20 -2.854 6.495 -10.922 1.00 0.00 C ATOM 281 C GLU A 20 -3.477 5.303 -10.207 1.00 0.00 C ATOM 282 O GLU A 20 -4.502 5.408 -9.575 1.00 0.00 O ATOM 283 CB GLU A 20 -3.274 6.515 -12.388 1.00 0.00 C ATOM 284 CG GLU A 20 -4.771 6.213 -12.518 1.00 0.00 C ATOM 285 CD GLU A 20 -5.130 6.028 -13.993 1.00 0.00 C ATOM 286 OE1 GLU A 20 -5.249 4.890 -14.416 1.00 0.00 O ATOM 287 OE2 GLU A 20 -5.277 7.028 -14.676 1.00 0.00 O ATOM 0 H GLU A 20 -0.881 6.531 -11.701 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.187 7.424 -10.458 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.054 7.490 -12.823 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.698 5.779 -12.948 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.021 5.313 -11.957 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.355 7.028 -12.090 1.00 0.00 H new ATOM 294 N ASP A 21 -2.846 4.164 -10.285 1.00 0.00 N ATOM 295 CA ASP A 21 -3.398 2.975 -9.584 1.00 0.00 C ATOM 296 C ASP A 21 -3.630 3.359 -8.128 1.00 0.00 C ATOM 297 O ASP A 21 -4.634 3.028 -7.535 1.00 0.00 O ATOM 298 CB ASP A 21 -2.410 1.806 -9.669 1.00 0.00 C ATOM 299 CG ASP A 21 -3.162 0.483 -9.507 1.00 0.00 C ATOM 300 OD1 ASP A 21 -2.574 -0.548 -9.786 1.00 0.00 O ATOM 301 OD2 ASP A 21 -4.314 0.525 -9.108 1.00 0.00 O ATOM 0 H ASP A 21 -1.979 4.007 -10.800 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.333 2.662 -10.048 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.890 1.825 -10.627 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.651 1.901 -8.893 1.00 0.00 H new ATOM 306 N LEU A 22 -2.714 4.087 -7.556 1.00 0.00 N ATOM 307 CA LEU A 22 -2.889 4.521 -6.146 1.00 0.00 C ATOM 308 C LEU A 22 -3.971 5.592 -6.115 1.00 0.00 C ATOM 309 O LEU A 22 -4.589 5.850 -5.101 1.00 0.00 O ATOM 310 CB LEU A 22 -1.574 5.092 -5.599 1.00 0.00 C ATOM 311 CG LEU A 22 -0.387 4.340 -6.206 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.913 4.858 -5.588 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.521 2.845 -5.922 1.00 0.00 C ATOM 0 H LEU A 22 -1.853 4.400 -8.004 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.175 3.672 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.502 6.154 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.554 5.005 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.372 4.503 -7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.759 4.323 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.014 5.924 -5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.893 4.697 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.327 2.315 -6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.539 2.679 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.446 2.473 -6.362 1.00 0.00 H new ATOM 325 N LEU A 23 -4.199 6.208 -7.234 1.00 0.00 N ATOM 326 CA LEU A 23 -5.234 7.264 -7.319 1.00 0.00 C ATOM 327 C LEU A 23 -6.612 6.607 -7.438 1.00 0.00 C ATOM 328 O LEU A 23 -7.501 6.892 -6.660 1.00 0.00 O ATOM 329 CB LEU A 23 -4.921 8.137 -8.540 1.00 0.00 C ATOM 330 CG LEU A 23 -3.465 8.636 -8.447 1.00 0.00 C ATOM 331 CD1 LEU A 23 -3.219 9.714 -9.515 1.00 0.00 C ATOM 332 CD2 LEU A 23 -3.202 9.237 -7.059 1.00 0.00 C ATOM 0 H LEU A 23 -3.704 6.021 -8.106 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.237 7.890 -6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.064 7.565 -9.457 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.606 8.984 -8.582 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.793 7.793 -8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.189 10.065 -9.447 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.394 9.292 -10.505 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.899 10.550 -9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.171 9.587 -7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.879 10.075 -6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.369 8.477 -6.296 1.00 0.00 H new ATOM 344 N LEU A 24 -6.806 5.705 -8.368 1.00 0.00 N ATOM 345 CA LEU A 24 -8.135 5.044 -8.445 1.00 0.00 C ATOM 346 C LEU A 24 -8.322 4.246 -7.171 1.00 0.00 C ATOM 347 O LEU A 24 -9.360 4.294 -6.565 1.00 0.00 O ATOM 348 CB LEU A 24 -8.246 4.118 -9.661 1.00 0.00 C ATOM 349 CG LEU A 24 -7.237 2.961 -9.580 1.00 0.00 C ATOM 350 CD1 LEU A 24 -7.914 1.710 -9.007 1.00 0.00 C ATOM 351 CD2 LEU A 24 -6.728 2.637 -10.989 1.00 0.00 C ATOM 0 H LEU A 24 -6.118 5.406 -9.059 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.908 5.804 -8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.258 3.717 -9.723 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.073 4.690 -10.573 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.410 3.257 -8.934 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.190 0.897 -8.954 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.291 1.926 -8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.743 1.417 -9.652 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.012 1.817 -10.938 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.567 2.347 -11.621 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.243 3.517 -11.412 1.00 0.00 H new ATOM 363 N LYS A 25 -7.315 3.534 -6.733 1.00 0.00 N ATOM 364 CA LYS A 25 -7.462 2.770 -5.467 1.00 0.00 C ATOM 365 C LYS A 25 -8.055 3.723 -4.430 1.00 0.00 C ATOM 366 O LYS A 25 -8.970 3.390 -3.703 1.00 0.00 O ATOM 367 CB LYS A 25 -6.091 2.268 -5.011 1.00 0.00 C ATOM 368 CG LYS A 25 -5.675 1.064 -5.864 1.00 0.00 C ATOM 369 CD LYS A 25 -4.180 0.790 -5.679 1.00 0.00 C ATOM 370 CE LYS A 25 -3.862 -0.647 -6.098 1.00 0.00 C ATOM 371 NZ LYS A 25 -2.421 -0.931 -5.849 1.00 0.00 N ATOM 0 H LYS A 25 -6.409 3.451 -7.194 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.111 1.905 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.352 3.064 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.127 1.986 -3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.253 0.186 -5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.891 1.259 -6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.596 1.491 -6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.898 0.946 -4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.483 -1.346 -5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.094 -0.789 -7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.115 -1.725 -6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.857 -0.088 -6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.284 -1.179 -4.848 1.00 0.00 H new ATOM 385 N SER A 26 -7.552 4.927 -4.394 1.00 0.00 N ATOM 386 CA SER A 26 -8.082 5.948 -3.456 1.00 0.00 C ATOM 387 C SER A 26 -9.492 6.339 -3.914 1.00 0.00 C ATOM 388 O SER A 26 -10.055 7.316 -3.460 1.00 0.00 O ATOM 389 CB SER A 26 -7.176 7.187 -3.505 1.00 0.00 C ATOM 390 OG SER A 26 -7.324 7.929 -2.302 1.00 0.00 O ATOM 0 H SER A 26 -6.785 5.248 -4.985 1.00 0.00 H new ATOM 0 HA SER A 26 -8.111 5.553 -2.440 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.136 6.886 -3.634 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.436 7.808 -4.362 1.00 0.00 H new ATOM 0 HG SER A 26 -8.277 8.061 -2.114 1.00 0.00 H new ATOM 396 N LYS A 27 -10.050 5.602 -4.842 1.00 0.00 N ATOM 397 CA LYS A 27 -11.402 5.956 -5.362 1.00 0.00 C ATOM 398 C LYS A 27 -12.361 6.227 -4.200 1.00 0.00 C ATOM 399 O LYS A 27 -13.027 7.244 -4.179 1.00 0.00 O ATOM 400 CB LYS A 27 -11.956 4.833 -6.257 1.00 0.00 C ATOM 401 CG LYS A 27 -11.562 3.447 -5.717 1.00 0.00 C ATOM 402 CD LYS A 27 -12.715 2.465 -5.931 1.00 0.00 C ATOM 403 CE LYS A 27 -12.933 2.270 -7.432 1.00 0.00 C ATOM 404 NZ LYS A 27 -14.038 1.294 -7.652 1.00 0.00 N ATOM 0 H LYS A 27 -9.627 4.773 -5.260 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.311 6.860 -5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.042 4.910 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.577 4.952 -7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.667 3.089 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.321 3.514 -4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.489 1.510 -5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.624 2.845 -5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.177 3.223 -7.902 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.017 1.909 -7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.186 1.162 -8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.788 0.383 -7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.912 1.656 -7.220 1.00 0.00 H new ATOM 418 N GLY A 28 -12.439 5.359 -3.222 1.00 0.00 N ATOM 419 CA GLY A 28 -13.355 5.638 -2.085 1.00 0.00 C ATOM 420 C GLY A 28 -13.998 4.357 -1.578 1.00 0.00 C ATOM 421 O GLY A 28 -14.888 4.401 -0.760 1.00 0.00 O ATOM 0 H GLY A 28 -11.916 4.485 -3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.802 6.117 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.129 6.338 -2.400 1.00 0.00 H new ATOM 425 N THR A 29 -13.586 3.214 -2.048 1.00 0.00 N ATOM 426 CA THR A 29 -14.228 1.972 -1.547 1.00 0.00 C ATOM 427 C THR A 29 -13.343 0.742 -1.798 1.00 0.00 C ATOM 428 O THR A 29 -12.627 0.661 -2.777 1.00 0.00 O ATOM 429 CB THR A 29 -15.567 1.799 -2.267 1.00 0.00 C ATOM 430 OG1 THR A 29 -15.657 2.744 -3.323 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.730 2.014 -1.292 1.00 0.00 C ATOM 0 H THR A 29 -12.849 3.087 -2.742 1.00 0.00 H new ATOM 0 HA THR A 29 -14.376 2.058 -0.470 1.00 0.00 H new ATOM 0 HB THR A 29 -15.625 0.787 -2.667 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.513 2.635 -3.787 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.675 1.887 -1.820 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.666 1.286 -0.483 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.677 3.021 -0.879 1.00 0.00 H new ATOM 439 N CYS A 30 -13.434 -0.235 -0.933 1.00 0.00 N ATOM 440 CA CYS A 30 -12.654 -1.498 -1.117 1.00 0.00 C ATOM 441 C CYS A 30 -13.135 -2.152 -2.412 1.00 0.00 C ATOM 442 O CYS A 30 -14.308 -2.114 -2.726 1.00 0.00 O ATOM 443 CB CYS A 30 -12.925 -2.447 0.061 1.00 0.00 C ATOM 444 SG CYS A 30 -11.983 -3.984 -0.157 1.00 0.00 S ATOM 0 H CYS A 30 -14.021 -0.212 -0.099 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.586 -1.286 -1.162 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.644 -1.967 0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.990 -2.669 0.124 1.00 0.00 H new ATOM 0 HG CYS A 30 -12.597 -4.959 0.445 1.00 0.00 H new ATOM 449 N GLN A 31 -12.261 -2.741 -3.179 1.00 0.00 N ATOM 450 CA GLN A 31 -12.728 -3.366 -4.450 1.00 0.00 C ATOM 451 C GLN A 31 -13.370 -4.724 -4.162 1.00 0.00 C ATOM 452 O GLN A 31 -14.037 -5.291 -5.005 1.00 0.00 O ATOM 453 CB GLN A 31 -11.561 -3.544 -5.424 1.00 0.00 C ATOM 454 CG GLN A 31 -10.386 -4.254 -4.743 1.00 0.00 C ATOM 455 CD GLN A 31 -10.723 -5.731 -4.522 1.00 0.00 C ATOM 456 OE1 GLN A 31 -11.572 -6.325 -5.316 1.00 0.00 O flip ATOM 457 NE2 GLN A 31 -10.205 -6.352 -3.616 1.00 0.00 N flip ATOM 0 H GLN A 31 -11.262 -2.817 -2.988 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.467 -2.707 -4.905 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.888 -4.121 -6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.239 -2.571 -5.794 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.491 -4.165 -5.358 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.166 -3.776 -3.788 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.541 -5.889 -2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.434 -7.336 -3.476 1.00 0.00 H new ATOM 466 N SER A 32 -13.182 -5.251 -2.980 1.00 0.00 N ATOM 467 CA SER A 32 -13.790 -6.573 -2.646 1.00 0.00 C ATOM 468 C SER A 32 -14.851 -6.397 -1.555 1.00 0.00 C ATOM 469 O SER A 32 -15.629 -7.292 -1.293 1.00 0.00 O ATOM 470 CB SER A 32 -12.702 -7.524 -2.149 1.00 0.00 C ATOM 471 OG SER A 32 -11.888 -7.920 -3.245 1.00 0.00 O ATOM 0 H SER A 32 -12.635 -4.824 -2.233 1.00 0.00 H new ATOM 0 HA SER A 32 -14.258 -6.988 -3.539 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.094 -7.034 -1.388 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.153 -8.399 -1.682 1.00 0.00 H new ATOM 0 HG SER A 32 -12.236 -7.524 -4.071 1.00 0.00 H new ATOM 477 N CYS A 33 -14.889 -5.254 -0.915 1.00 0.00 N ATOM 478 CA CYS A 33 -15.905 -5.034 0.161 1.00 0.00 C ATOM 479 C CYS A 33 -16.696 -3.754 -0.113 1.00 0.00 C ATOM 480 O CYS A 33 -17.788 -3.578 0.391 1.00 0.00 O ATOM 481 CB CYS A 33 -15.205 -4.911 1.518 1.00 0.00 C ATOM 482 SG CYS A 33 -14.137 -6.340 1.778 1.00 0.00 S ATOM 0 H CYS A 33 -14.264 -4.467 -1.090 1.00 0.00 H new ATOM 0 HA CYS A 33 -16.588 -5.884 0.175 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.617 -3.994 1.554 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -15.945 -4.847 2.316 1.00 0.00 H new ATOM 0 HG CYS A 33 -14.017 -6.566 3.053 1.00 0.00 H new ATOM 487 N GLY A 34 -16.164 -2.847 -0.888 1.00 0.00 N ATOM 488 CA GLY A 34 -16.915 -1.587 -1.151 1.00 0.00 C ATOM 489 C GLY A 34 -17.328 -0.985 0.192 1.00 0.00 C ATOM 490 O GLY A 34 -18.490 -0.955 0.544 1.00 0.00 O ATOM 0 H GLY A 34 -15.255 -2.922 -1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.295 -0.884 -1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.794 -1.790 -1.763 1.00 0.00 H new ATOM 494 N VAL A 35 -16.369 -0.546 0.960 1.00 0.00 N ATOM 495 CA VAL A 35 -16.673 0.016 2.310 1.00 0.00 C ATOM 496 C VAL A 35 -16.596 1.549 2.320 1.00 0.00 C ATOM 497 O VAL A 35 -17.484 2.203 2.825 1.00 0.00 O ATOM 498 CB VAL A 35 -15.661 -0.551 3.309 1.00 0.00 C ATOM 499 CG1 VAL A 35 -15.700 -2.085 3.250 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.256 -0.057 2.947 1.00 0.00 C ATOM 0 H VAL A 35 -15.380 -0.552 0.710 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.691 -0.264 2.582 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.911 -0.218 4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.981 -2.495 3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.701 -2.434 3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.446 -2.417 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.534 -0.460 3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.001 -0.391 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.232 1.032 2.984 1.00 0.00 H new ATOM 510 N THR A 36 -15.549 2.134 1.790 1.00 0.00 N ATOM 511 CA THR A 36 -15.438 3.624 1.806 1.00 0.00 C ATOM 512 C THR A 36 -13.992 4.016 1.498 1.00 0.00 C ATOM 513 O THR A 36 -13.162 3.178 1.224 1.00 0.00 O ATOM 514 CB THR A 36 -15.828 4.176 3.194 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.839 3.119 4.142 1.00 0.00 O ATOM 516 CG2 THR A 36 -17.215 4.835 3.142 1.00 0.00 C ATOM 0 H THR A 36 -14.770 1.645 1.349 1.00 0.00 H new ATOM 0 HA THR A 36 -16.112 4.042 1.058 1.00 0.00 H new ATOM 0 HB THR A 36 -15.095 4.926 3.490 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.745 2.753 4.213 1.00 0.00 H new ATOM 0 HG21 THR A 36 -17.473 5.218 4.129 1.00 0.00 H new ATOM 0 HG22 THR A 36 -17.201 5.657 2.426 1.00 0.00 H new ATOM 0 HG23 THR A 36 -17.957 4.098 2.834 1.00 0.00 H new ATOM 524 N GLY A 37 -13.696 5.288 1.530 1.00 0.00 N ATOM 525 CA GLY A 37 -12.311 5.752 1.227 1.00 0.00 C ATOM 526 C GLY A 37 -11.486 5.865 2.507 1.00 0.00 C ATOM 527 O GLY A 37 -10.502 5.175 2.682 1.00 0.00 O ATOM 0 H GLY A 37 -14.359 6.030 1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.831 5.055 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.348 6.719 0.726 1.00 0.00 H new ATOM 531 N PRO A 38 -11.858 6.745 3.391 1.00 0.00 N ATOM 532 CA PRO A 38 -11.115 6.945 4.653 1.00 0.00 C ATOM 533 C PRO A 38 -10.740 5.623 5.319 1.00 0.00 C ATOM 534 O PRO A 38 -11.560 4.746 5.511 1.00 0.00 O ATOM 535 CB PRO A 38 -12.058 7.756 5.549 1.00 0.00 C ATOM 536 CG PRO A 38 -13.314 7.996 4.756 1.00 0.00 C ATOM 537 CD PRO A 38 -13.011 7.643 3.296 1.00 0.00 C ATOM 0 HA PRO A 38 -10.170 7.457 4.472 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.279 7.213 6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.598 8.701 5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.131 7.383 5.137 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.629 9.036 4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.860 7.156 2.817 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.780 8.531 2.708 1.00 0.00 H new ATOM 545 N ASN A 39 -9.500 5.493 5.672 1.00 0.00 N ATOM 546 CA ASN A 39 -9.011 4.252 6.337 1.00 0.00 C ATOM 547 C ASN A 39 -8.940 3.101 5.331 1.00 0.00 C ATOM 548 O ASN A 39 -9.013 1.946 5.700 1.00 0.00 O ATOM 549 CB ASN A 39 -9.944 3.873 7.500 1.00 0.00 C ATOM 550 CG ASN A 39 -9.132 3.731 8.792 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.242 4.549 9.684 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.319 2.721 8.930 1.00 0.00 N ATOM 0 H ASN A 39 -8.786 6.206 5.527 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.011 4.439 6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.713 4.636 7.625 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.456 2.937 7.277 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.775 2.617 9.787 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.227 2.035 8.181 1.00 0.00 H new ATOM 559 N LEU A 40 -8.777 3.391 4.069 1.00 0.00 N ATOM 560 CA LEU A 40 -8.679 2.283 3.077 1.00 0.00 C ATOM 561 C LEU A 40 -7.248 1.743 3.100 1.00 0.00 C ATOM 562 O LEU A 40 -6.386 2.264 3.777 1.00 0.00 O ATOM 563 CB LEU A 40 -8.994 2.793 1.656 1.00 0.00 C ATOM 564 CG LEU A 40 -10.487 2.654 1.311 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.663 2.922 -0.186 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.992 1.235 1.619 1.00 0.00 C ATOM 0 H LEU A 40 -8.708 4.334 3.686 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.397 1.505 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.699 3.839 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.401 2.235 0.931 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.057 3.365 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.716 2.828 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.319 3.930 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.080 2.199 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.050 1.162 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.428 0.512 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.857 1.023 2.680 1.00 0.00 H new ATOM 578 N TRP A 41 -6.989 0.707 2.357 1.00 0.00 N ATOM 579 CA TRP A 41 -5.612 0.137 2.323 1.00 0.00 C ATOM 580 C TRP A 41 -5.471 -0.740 1.079 1.00 0.00 C ATOM 581 O TRP A 41 -5.901 -1.877 1.055 1.00 0.00 O ATOM 582 CB TRP A 41 -5.362 -0.693 3.590 1.00 0.00 C ATOM 583 CG TRP A 41 -4.174 -0.152 4.329 1.00 0.00 C ATOM 584 CD1 TRP A 41 -2.970 0.120 3.772 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.055 0.186 5.741 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.123 0.604 4.752 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.746 0.663 5.983 1.00 0.00 C ATOM 588 CE3 TRP A 41 -4.948 0.126 6.826 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.337 1.067 7.256 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.541 0.531 8.107 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.238 1.000 8.321 1.00 0.00 C ATOM 0 H TRP A 41 -7.671 0.228 1.770 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.877 0.941 2.285 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.243 -0.667 4.232 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.192 -1.736 3.324 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.713 -0.018 2.732 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.156 0.883 4.586 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.954 -0.234 6.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.332 1.428 7.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.236 0.481 8.932 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.931 1.310 9.309 1.00 0.00 H new ATOM 602 N ALA A 42 -4.895 -0.212 0.036 1.00 0.00 N ATOM 603 CA ALA A 42 -4.749 -1.002 -1.214 1.00 0.00 C ATOM 604 C ALA A 42 -3.373 -1.658 -1.290 1.00 0.00 C ATOM 605 O ALA A 42 -2.372 -1.092 -0.898 1.00 0.00 O ATOM 606 CB ALA A 42 -4.918 -0.073 -2.413 1.00 0.00 C ATOM 0 H ALA A 42 -4.519 0.735 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.510 -1.783 -1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.812 -0.645 -3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.907 0.385 -2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.156 0.706 -2.380 1.00 0.00 H new ATOM 612 N CYS A 43 -3.323 -2.847 -1.823 1.00 0.00 N ATOM 613 CA CYS A 43 -2.024 -3.555 -1.967 1.00 0.00 C ATOM 614 C CYS A 43 -1.103 -2.702 -2.839 1.00 0.00 C ATOM 615 O CYS A 43 -1.562 -1.934 -3.661 1.00 0.00 O ATOM 616 CB CYS A 43 -2.266 -4.905 -2.638 1.00 0.00 C ATOM 617 SG CYS A 43 -0.932 -6.042 -2.203 1.00 0.00 S ATOM 0 H CYS A 43 -4.134 -3.361 -2.167 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.565 -3.715 -0.992 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.225 -5.314 -2.320 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.315 -4.782 -3.720 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.422 -7.229 -2.002 1.00 0.00 H new ATOM 622 N LEU A 44 0.188 -2.807 -2.661 1.00 0.00 N ATOM 623 CA LEU A 44 1.111 -1.971 -3.482 1.00 0.00 C ATOM 624 C LEU A 44 2.256 -2.815 -4.058 1.00 0.00 C ATOM 625 O LEU A 44 3.398 -2.403 -4.048 1.00 0.00 O ATOM 626 CB LEU A 44 1.689 -0.860 -2.601 1.00 0.00 C ATOM 627 CG LEU A 44 2.400 0.185 -3.480 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.397 1.245 -3.936 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.512 0.865 -2.677 1.00 0.00 C ATOM 0 H LEU A 44 0.639 -3.429 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 44 0.551 -1.544 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.892 -0.386 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.391 -1.282 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 44 2.827 -0.315 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.904 1.983 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.602 0.770 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.968 1.739 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.013 1.604 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.082 1.359 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.234 0.117 -2.350 1.00 0.00 H new ATOM 641 N GLN A 45 1.974 -3.983 -4.578 1.00 0.00 N ATOM 642 CA GLN A 45 3.074 -4.808 -5.165 1.00 0.00 C ATOM 643 C GLN A 45 3.161 -4.529 -6.669 1.00 0.00 C ATOM 644 O GLN A 45 2.160 -4.357 -7.338 1.00 0.00 O ATOM 645 CB GLN A 45 2.816 -6.303 -4.926 1.00 0.00 C ATOM 646 CG GLN A 45 1.864 -6.483 -3.748 1.00 0.00 C ATOM 647 CD GLN A 45 2.629 -6.276 -2.440 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.536 -5.133 -1.817 1.00 0.00 O flip ATOM 649 NE2 GLN A 45 3.320 -7.163 -1.980 1.00 0.00 N flip ATOM 0 H GLN A 45 1.043 -4.397 -4.622 1.00 0.00 H new ATOM 0 HA GLN A 45 4.015 -4.542 -4.683 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.390 -6.755 -5.822 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.757 -6.816 -4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.042 -5.770 -3.818 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.424 -7.480 -3.771 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.393 -8.057 -2.466 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.827 -7.014 -1.107 1.00 0.00 H new ATOM 658 N VAL A 46 4.352 -4.465 -7.199 1.00 0.00 N ATOM 659 CA VAL A 46 4.519 -4.180 -8.658 1.00 0.00 C ATOM 660 C VAL A 46 3.536 -5.008 -9.497 1.00 0.00 C ATOM 661 O VAL A 46 3.407 -4.792 -10.686 1.00 0.00 O ATOM 662 CB VAL A 46 5.953 -4.519 -9.088 1.00 0.00 C ATOM 663 CG1 VAL A 46 6.334 -5.909 -8.574 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.050 -4.501 -10.618 1.00 0.00 C ATOM 0 H VAL A 46 5.222 -4.598 -6.684 1.00 0.00 H new ATOM 0 HA VAL A 46 4.316 -3.122 -8.823 1.00 0.00 H new ATOM 0 HB VAL A 46 6.635 -3.778 -8.670 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.353 -6.144 -8.882 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.271 -5.924 -7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.650 -6.650 -8.987 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.069 -4.742 -10.921 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.364 -5.238 -11.035 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.786 -3.510 -10.988 1.00 0.00 H new ATOM 674 N ALA A 47 2.852 -5.957 -8.914 1.00 0.00 N ATOM 675 CA ALA A 47 1.904 -6.779 -9.726 1.00 0.00 C ATOM 676 C ALA A 47 0.651 -7.128 -8.918 1.00 0.00 C ATOM 677 O ALA A 47 0.197 -8.255 -8.929 1.00 0.00 O ATOM 678 CB ALA A 47 2.601 -8.071 -10.156 1.00 0.00 C ATOM 0 H ALA A 47 2.906 -6.197 -7.924 1.00 0.00 H new ATOM 0 HA ALA A 47 1.603 -6.201 -10.600 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.914 -8.675 -10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.480 -7.829 -10.754 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.906 -8.631 -9.272 1.00 0.00 H new ATOM 684 N CYS A 48 0.079 -6.180 -8.224 1.00 0.00 N ATOM 685 CA CYS A 48 -1.151 -6.487 -7.438 1.00 0.00 C ATOM 686 C CYS A 48 -2.066 -5.261 -7.377 1.00 0.00 C ATOM 687 O CYS A 48 -2.069 -4.532 -6.405 1.00 0.00 O ATOM 688 CB CYS A 48 -0.767 -6.886 -6.015 1.00 0.00 C ATOM 689 SG CYS A 48 -2.154 -7.768 -5.263 1.00 0.00 S ATOM 0 H CYS A 48 0.406 -5.216 -8.167 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.677 -7.307 -7.927 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.121 -7.519 -6.027 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.520 -6.001 -5.429 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.146 -7.574 -3.978 1.00 0.00 H new ATOM 694 N PRO A 49 -2.848 -5.040 -8.399 1.00 0.00 N ATOM 695 CA PRO A 49 -3.790 -3.894 -8.444 1.00 0.00 C ATOM 696 C PRO A 49 -5.135 -4.235 -7.789 1.00 0.00 C ATOM 697 O PRO A 49 -5.982 -4.867 -8.387 1.00 0.00 O ATOM 698 CB PRO A 49 -3.964 -3.662 -9.944 1.00 0.00 C ATOM 699 CG PRO A 49 -3.801 -5.016 -10.570 1.00 0.00 C ATOM 700 CD PRO A 49 -2.921 -5.849 -9.624 1.00 0.00 C ATOM 0 HA PRO A 49 -3.422 -3.023 -7.902 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.944 -3.240 -10.167 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.221 -2.960 -10.323 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.770 -5.493 -10.714 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.338 -4.932 -11.553 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.359 -6.828 -9.430 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.932 -6.021 -10.048 1.00 0.00 H new ATOM 708 N TYR A 50 -5.332 -3.810 -6.569 1.00 0.00 N ATOM 709 CA TYR A 50 -6.614 -4.093 -5.859 1.00 0.00 C ATOM 710 C TYR A 50 -6.666 -3.234 -4.598 1.00 0.00 C ATOM 711 O TYR A 50 -5.713 -3.179 -3.846 1.00 0.00 O ATOM 712 CB TYR A 50 -6.669 -5.571 -5.454 1.00 0.00 C ATOM 713 CG TYR A 50 -6.850 -6.438 -6.677 1.00 0.00 C ATOM 714 CD1 TYR A 50 -8.094 -6.503 -7.314 1.00 0.00 C ATOM 715 CD2 TYR A 50 -5.769 -7.177 -7.175 1.00 0.00 C ATOM 716 CE1 TYR A 50 -8.259 -7.307 -8.448 1.00 0.00 C ATOM 717 CE2 TYR A 50 -5.934 -7.981 -8.310 1.00 0.00 C ATOM 718 CZ TYR A 50 -7.179 -8.046 -8.945 1.00 0.00 C ATOM 719 OH TYR A 50 -7.341 -8.838 -10.064 1.00 0.00 O ATOM 0 H TYR A 50 -4.653 -3.274 -6.029 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.455 -3.867 -6.514 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.752 -5.848 -4.935 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.491 -5.735 -4.758 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -8.927 -5.933 -6.931 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.808 -7.127 -6.684 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.219 -7.357 -8.939 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.101 -8.550 -8.695 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.493 -9.282 -10.276 1.00 0.00 H new ATOM 729 N VAL A 51 -7.757 -2.556 -4.350 1.00 0.00 N ATOM 730 CA VAL A 51 -7.828 -1.707 -3.124 1.00 0.00 C ATOM 731 C VAL A 51 -8.642 -2.416 -2.044 1.00 0.00 C ATOM 732 O VAL A 51 -9.850 -2.518 -2.114 1.00 0.00 O ATOM 733 CB VAL A 51 -8.440 -0.346 -3.462 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.600 -0.526 -4.440 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.934 0.341 -2.183 1.00 0.00 C ATOM 0 H VAL A 51 -8.592 -2.553 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.820 -1.544 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.678 0.280 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.031 0.447 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.235 -0.993 -5.355 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.362 -1.160 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.368 1.309 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.689 -0.282 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.096 0.485 -1.501 1.00 0.00 H new ATOM 745 N GLY A 52 -7.970 -2.909 -1.043 1.00 0.00 N ATOM 746 CA GLY A 52 -8.664 -3.631 0.057 1.00 0.00 C ATOM 747 C GLY A 52 -9.146 -2.644 1.121 1.00 0.00 C ATOM 748 O GLY A 52 -9.070 -1.443 0.956 1.00 0.00 O ATOM 0 H GLY A 52 -6.958 -2.841 -0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.512 -4.188 -0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.988 -4.359 0.506 1.00 0.00 H new ATOM 752 N CYS A 53 -9.649 -3.154 2.214 1.00 0.00 N ATOM 753 CA CYS A 53 -10.151 -2.274 3.304 1.00 0.00 C ATOM 754 C CYS A 53 -9.102 -2.139 4.383 1.00 0.00 C ATOM 755 O CYS A 53 -8.112 -2.841 4.426 1.00 0.00 O ATOM 756 CB CYS A 53 -11.361 -2.917 4.005 1.00 0.00 C ATOM 757 SG CYS A 53 -11.412 -4.692 3.650 1.00 0.00 S ATOM 0 H CYS A 53 -9.733 -4.154 2.398 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.406 -1.317 2.849 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.297 -2.755 5.081 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.282 -2.443 3.666 1.00 0.00 H new ATOM 0 HG CYS A 53 -12.480 -4.966 2.961 1.00 0.00 H new ATOM 762 N GLY A 54 -9.395 -1.285 5.303 1.00 0.00 N ATOM 763 CA GLY A 54 -8.540 -1.103 6.489 1.00 0.00 C ATOM 764 C GLY A 54 -9.445 -1.493 7.644 1.00 0.00 C ATOM 765 O GLY A 54 -10.647 -1.501 7.481 1.00 0.00 O ATOM 0 H GLY A 54 -10.220 -0.685 5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.652 -1.734 6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.195 -0.073 6.580 1.00 0.00 H new ATOM 769 N GLU A 55 -8.925 -1.850 8.778 1.00 0.00 N ATOM 770 CA GLU A 55 -9.827 -2.258 9.903 1.00 0.00 C ATOM 771 C GLU A 55 -11.197 -1.627 9.715 1.00 0.00 C ATOM 772 O GLU A 55 -12.216 -2.232 9.982 1.00 0.00 O ATOM 773 CB GLU A 55 -9.248 -1.787 11.225 1.00 0.00 C ATOM 774 CG GLU A 55 -9.344 -0.260 11.321 1.00 0.00 C ATOM 775 CD GLU A 55 -8.424 0.240 12.436 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.130 -0.538 13.329 1.00 0.00 O ATOM 777 OE2 GLU A 55 -8.029 1.393 12.379 1.00 0.00 O ATOM 0 H GLU A 55 -7.926 -1.880 8.983 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.916 -3.344 9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.788 -2.247 12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.208 -2.101 11.309 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.061 0.193 10.371 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.373 0.038 11.523 1.00 0.00 H new ATOM 784 N SER A 56 -11.214 -0.422 9.228 1.00 0.00 N ATOM 785 CA SER A 56 -12.502 0.277 8.968 1.00 0.00 C ATOM 786 C SER A 56 -13.573 -0.765 8.646 1.00 0.00 C ATOM 787 O SER A 56 -14.693 -0.688 9.110 1.00 0.00 O ATOM 788 CB SER A 56 -12.317 1.207 7.770 1.00 0.00 C ATOM 789 OG SER A 56 -12.345 2.556 8.218 1.00 0.00 O ATOM 0 H SER A 56 -10.380 0.117 8.995 1.00 0.00 H new ATOM 0 HA SER A 56 -12.806 0.855 9.841 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.370 0.996 7.273 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.106 1.038 7.038 1.00 0.00 H new ATOM 0 HG SER A 56 -12.699 3.130 7.507 1.00 0.00 H new ATOM 795 N PHE A 57 -13.220 -1.752 7.861 1.00 0.00 N ATOM 796 CA PHE A 57 -14.204 -2.821 7.512 1.00 0.00 C ATOM 797 C PHE A 57 -13.681 -4.167 7.996 1.00 0.00 C ATOM 798 O PHE A 57 -13.890 -4.566 9.124 1.00 0.00 O ATOM 799 CB PHE A 57 -14.387 -2.887 6.001 1.00 0.00 C ATOM 800 CG PHE A 57 -15.335 -4.016 5.663 1.00 0.00 C ATOM 801 CD1 PHE A 57 -14.881 -5.119 4.928 1.00 0.00 C ATOM 802 CD2 PHE A 57 -16.668 -3.960 6.086 1.00 0.00 C ATOM 803 CE1 PHE A 57 -15.760 -6.163 4.617 1.00 0.00 C ATOM 804 CE2 PHE A 57 -17.547 -5.005 5.776 1.00 0.00 C ATOM 805 CZ PHE A 57 -17.093 -6.106 5.041 1.00 0.00 C ATOM 0 H PHE A 57 -12.294 -1.863 7.447 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.157 -2.592 7.988 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.781 -1.941 5.629 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.425 -3.045 5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.853 -5.164 4.601 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.019 -3.110 6.652 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.410 -7.013 4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -18.575 -4.961 6.104 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.771 -6.912 4.801 1.00 0.00 H new ATOM 815 N ALA A 58 -12.994 -4.858 7.137 1.00 0.00 N ATOM 816 CA ALA A 58 -12.425 -6.188 7.503 1.00 0.00 C ATOM 817 C ALA A 58 -10.911 -6.119 7.343 1.00 0.00 C ATOM 818 O ALA A 58 -10.195 -7.061 7.619 1.00 0.00 O ATOM 819 CB ALA A 58 -12.992 -7.262 6.572 1.00 0.00 C ATOM 0 H ALA A 58 -12.797 -4.557 6.182 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.684 -6.440 8.531 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.576 -8.233 6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.077 -7.293 6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.728 -7.026 5.541 1.00 0.00 H new ATOM 825 N ASP A 59 -10.427 -4.996 6.896 1.00 0.00 N ATOM 826 CA ASP A 59 -8.966 -4.822 6.705 1.00 0.00 C ATOM 827 C ASP A 59 -8.413 -5.923 5.803 1.00 0.00 C ATOM 828 O ASP A 59 -7.589 -6.713 6.219 1.00 0.00 O ATOM 829 CB ASP A 59 -8.251 -4.867 8.059 1.00 0.00 C ATOM 830 CG ASP A 59 -6.746 -4.708 7.849 1.00 0.00 C ATOM 831 OD1 ASP A 59 -6.020 -5.626 8.182 1.00 0.00 O ATOM 832 OD2 ASP A 59 -6.347 -3.664 7.359 1.00 0.00 O ATOM 0 H ASP A 59 -10.991 -4.182 6.652 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.792 -3.854 6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.624 -4.073 8.705 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.461 -5.811 8.561 1.00 0.00 H new ATOM 837 N HIS A 60 -8.827 -5.971 4.559 1.00 0.00 N ATOM 838 CA HIS A 60 -8.275 -7.014 3.645 1.00 0.00 C ATOM 839 C HIS A 60 -6.762 -7.005 3.830 1.00 0.00 C ATOM 840 O HIS A 60 -6.075 -7.962 3.566 1.00 0.00 O ATOM 841 CB HIS A 60 -8.607 -6.667 2.183 1.00 0.00 C ATOM 842 CG HIS A 60 -9.651 -7.605 1.637 1.00 0.00 C ATOM 843 ND1 HIS A 60 -9.610 -8.950 1.367 1.00 0.00 N flip ATOM 844 CD2 HIS A 60 -10.933 -7.181 1.285 1.00 0.00 C flip ATOM 845 CE1 HIS A 60 -10.836 -9.358 0.861 1.00 0.00 C flip ATOM 846 NE2 HIS A 60 -11.596 -8.262 0.832 1.00 0.00 N flip ATOM 0 H HIS A 60 -9.514 -5.341 4.144 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.702 -7.991 3.872 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.966 -5.640 2.120 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.704 -6.727 1.576 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.320 -6.176 1.361 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.116 -10.355 0.555 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.562 -8.245 0.506 1.00 0.00 H new ATOM 854 N SER A 61 -6.255 -5.903 4.296 1.00 0.00 N ATOM 855 CA SER A 61 -4.791 -5.770 4.521 1.00 0.00 C ATOM 856 C SER A 61 -4.238 -7.030 5.189 1.00 0.00 C ATOM 857 O SER A 61 -3.104 -7.407 4.973 1.00 0.00 O ATOM 858 CB SER A 61 -4.548 -4.561 5.427 1.00 0.00 C ATOM 859 OG SER A 61 -3.280 -3.993 5.127 1.00 0.00 O ATOM 0 H SER A 61 -6.801 -5.075 4.535 1.00 0.00 H new ATOM 0 HA SER A 61 -4.285 -5.636 3.565 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.334 -3.820 5.282 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.585 -4.864 6.473 1.00 0.00 H new ATOM 0 HG SER A 61 -2.707 -4.035 5.921 1.00 0.00 H new ATOM 865 N THR A 62 -5.018 -7.681 6.009 1.00 0.00 N ATOM 866 CA THR A 62 -4.512 -8.900 6.692 1.00 0.00 C ATOM 867 C THR A 62 -4.782 -10.137 5.845 1.00 0.00 C ATOM 868 O THR A 62 -3.874 -10.799 5.396 1.00 0.00 O ATOM 869 CB THR A 62 -5.229 -9.080 8.026 1.00 0.00 C ATOM 870 OG1 THR A 62 -5.942 -7.895 8.350 1.00 0.00 O ATOM 871 CG2 THR A 62 -4.217 -9.391 9.132 1.00 0.00 C ATOM 0 H THR A 62 -5.979 -7.421 6.233 1.00 0.00 H new ATOM 0 HA THR A 62 -3.439 -8.781 6.845 1.00 0.00 H new ATOM 0 HB THR A 62 -5.928 -9.912 7.942 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.334 -7.127 8.313 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.741 -9.517 10.079 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.682 -10.309 8.888 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.507 -8.569 9.217 1.00 0.00 H new ATOM 879 N ILE A 63 -6.032 -10.474 5.656 1.00 0.00 N ATOM 880 CA ILE A 63 -6.348 -11.694 4.874 1.00 0.00 C ATOM 881 C ILE A 63 -5.714 -11.585 3.488 1.00 0.00 C ATOM 882 O ILE A 63 -5.272 -12.560 2.914 1.00 0.00 O ATOM 883 CB ILE A 63 -7.855 -11.873 4.736 1.00 0.00 C ATOM 884 CG1 ILE A 63 -8.474 -10.543 4.337 1.00 0.00 C ATOM 885 CG2 ILE A 63 -8.444 -12.339 6.069 1.00 0.00 C ATOM 886 CD1 ILE A 63 -9.868 -10.778 3.756 1.00 0.00 C ATOM 0 H ILE A 63 -6.838 -9.958 6.009 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.945 -12.560 5.399 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.069 -12.622 3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.537 -9.885 5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.843 -10.043 3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.522 -12.466 5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.992 -13.289 6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.238 -11.594 6.838 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.309 -9.823 3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.793 -11.419 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -10.498 -11.260 4.504 1.00 0.00 H new ATOM 898 N HIS A 64 -5.665 -10.402 2.953 1.00 0.00 N ATOM 899 CA HIS A 64 -5.055 -10.216 1.607 1.00 0.00 C ATOM 900 C HIS A 64 -3.542 -10.400 1.715 1.00 0.00 C ATOM 901 O HIS A 64 -2.930 -11.063 0.902 1.00 0.00 O ATOM 902 CB HIS A 64 -5.351 -8.814 1.076 1.00 0.00 C ATOM 903 CG HIS A 64 -4.715 -8.672 -0.275 1.00 0.00 C ATOM 904 ND1 HIS A 64 -5.455 -8.632 -1.447 1.00 0.00 N ATOM 905 CD2 HIS A 64 -3.401 -8.587 -0.656 1.00 0.00 C ATOM 906 CE1 HIS A 64 -4.586 -8.532 -2.469 1.00 0.00 C ATOM 907 NE2 HIS A 64 -3.322 -8.502 -2.039 1.00 0.00 N ATOM 0 H HIS A 64 -6.021 -9.551 3.389 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.478 -10.951 0.922 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.427 -8.655 1.007 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.961 -8.060 1.759 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.472 -8.671 -1.521 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.556 -8.586 0.017 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.875 -8.482 -3.508 1.00 0.00 H new ATOM 915 N ALA A 65 -2.932 -9.841 2.728 1.00 0.00 N ATOM 916 CA ALA A 65 -1.460 -10.020 2.887 1.00 0.00 C ATOM 917 C ALA A 65 -1.241 -11.444 3.374 1.00 0.00 C ATOM 918 O ALA A 65 -0.176 -12.011 3.278 1.00 0.00 O ATOM 919 CB ALA A 65 -0.924 -9.031 3.924 1.00 0.00 C ATOM 0 H ALA A 65 -3.385 -9.274 3.445 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.940 -9.841 1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.152 -9.167 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.128 -8.012 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.413 -9.208 4.882 1.00 0.00 H new ATOM 925 N GLN A 66 -2.277 -11.994 3.915 1.00 0.00 N ATOM 926 CA GLN A 66 -2.257 -13.370 4.463 1.00 0.00 C ATOM 927 C GLN A 66 -2.489 -14.393 3.344 1.00 0.00 C ATOM 928 O GLN A 66 -1.979 -15.496 3.379 1.00 0.00 O ATOM 929 CB GLN A 66 -3.418 -13.421 5.448 1.00 0.00 C ATOM 930 CG GLN A 66 -3.749 -14.847 5.889 1.00 0.00 C ATOM 931 CD GLN A 66 -2.929 -15.212 7.130 1.00 0.00 C ATOM 932 OE1 GLN A 66 -2.062 -14.467 7.541 1.00 0.00 O ATOM 933 NE2 GLN A 66 -3.168 -16.338 7.747 1.00 0.00 N ATOM 0 H GLN A 66 -3.179 -11.526 4.005 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.301 -13.606 4.930 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.174 -12.821 6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.299 -12.972 4.990 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.813 -14.931 6.108 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.533 -15.546 5.081 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.896 -16.964 7.402 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.627 -16.591 8.574 1.00 0.00 H new ATOM 942 N ALA A 67 -3.278 -14.043 2.366 1.00 0.00 N ATOM 943 CA ALA A 67 -3.578 -14.997 1.262 1.00 0.00 C ATOM 944 C ALA A 67 -2.543 -14.854 0.150 1.00 0.00 C ATOM 945 O ALA A 67 -2.075 -15.825 -0.411 1.00 0.00 O ATOM 946 CB ALA A 67 -4.976 -14.701 0.706 1.00 0.00 C ATOM 0 H ALA A 67 -3.730 -13.132 2.284 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.543 -16.016 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.201 -15.397 -0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.715 -14.816 1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.008 -13.680 0.326 1.00 0.00 H new ATOM 952 N LYS A 68 -2.199 -13.643 -0.184 1.00 0.00 N ATOM 953 CA LYS A 68 -1.212 -13.415 -1.274 1.00 0.00 C ATOM 954 C LYS A 68 0.162 -13.135 -0.674 1.00 0.00 C ATOM 955 O LYS A 68 1.121 -12.876 -1.372 1.00 0.00 O ATOM 956 CB LYS A 68 -1.672 -12.226 -2.110 1.00 0.00 C ATOM 957 CG LYS A 68 -3.085 -12.504 -2.647 1.00 0.00 C ATOM 958 CD LYS A 68 -4.132 -11.880 -1.722 1.00 0.00 C ATOM 959 CE LYS A 68 -5.514 -11.981 -2.371 1.00 0.00 C ATOM 960 NZ LYS A 68 -5.939 -13.409 -2.413 1.00 0.00 N ATOM 0 H LYS A 68 -2.561 -12.796 0.254 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.142 -14.301 -1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.671 -11.319 -1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.982 -12.059 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.187 -12.095 -3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.249 -13.579 -2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.133 -12.391 -0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.885 -10.836 -1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.237 -11.392 -1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.485 -11.569 -3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.045 -13.711 -3.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.221 -13.999 -1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.848 -13.515 -1.920 1.00 0.00 H new ATOM 974 N LYS A 69 0.257 -13.202 0.620 1.00 0.00 N ATOM 975 CA LYS A 69 1.560 -12.963 1.299 1.00 0.00 C ATOM 976 C LYS A 69 2.110 -11.575 0.936 1.00 0.00 C ATOM 977 O LYS A 69 3.269 -11.290 1.159 1.00 0.00 O ATOM 978 CB LYS A 69 2.565 -14.045 0.875 1.00 0.00 C ATOM 979 CG LYS A 69 2.512 -15.223 1.858 1.00 0.00 C ATOM 980 CD LYS A 69 1.063 -15.711 2.020 1.00 0.00 C ATOM 981 CE LYS A 69 1.045 -17.236 2.164 1.00 0.00 C ATOM 982 NZ LYS A 69 2.164 -17.668 3.048 1.00 0.00 N ATOM 0 H LYS A 69 -0.520 -13.414 1.245 1.00 0.00 H new ATOM 0 HA LYS A 69 1.408 -13.006 2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.336 -14.391 -0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.572 -13.628 0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.140 -16.037 1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.912 -14.918 2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.609 -15.248 2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.469 -15.411 1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.092 -17.561 2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.140 -17.705 1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.894 -18.538 3.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.011 -17.849 2.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.369 -16.919 3.739 1.00 0.00 H new ATOM 996 N HIS A 70 1.295 -10.700 0.405 1.00 0.00 N ATOM 997 CA HIS A 70 1.806 -9.334 0.074 1.00 0.00 C ATOM 998 C HIS A 70 1.965 -8.564 1.388 1.00 0.00 C ATOM 999 O HIS A 70 1.045 -8.477 2.176 1.00 0.00 O ATOM 1000 CB HIS A 70 0.824 -8.622 -0.861 1.00 0.00 C ATOM 1001 CG HIS A 70 0.855 -9.307 -2.201 1.00 0.00 C ATOM 1002 ND1 HIS A 70 1.884 -9.874 -2.916 1.00 0.00 N flip ATOM 1003 CD2 HIS A 70 -0.283 -9.479 -2.977 1.00 0.00 C flip ATOM 1004 CE1 HIS A 70 1.392 -10.389 -4.109 1.00 0.00 C flip ATOM 1005 NE2 HIS A 70 0.087 -10.127 -4.099 1.00 0.00 N flip ATOM 0 H HIS A 70 0.312 -10.867 0.189 1.00 0.00 H new ATOM 0 HA HIS A 70 2.766 -9.393 -0.438 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.183 -8.650 -0.445 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.096 -7.572 -0.967 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.282 -9.153 -2.727 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.951 -10.895 -4.882 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.554 -10.385 -4.849 1.00 0.00 H new ATOM 1013 N ASN A 71 3.135 -8.046 1.660 1.00 0.00 N ATOM 1014 CA ASN A 71 3.353 -7.336 2.954 1.00 0.00 C ATOM 1015 C ASN A 71 3.080 -5.835 2.818 1.00 0.00 C ATOM 1016 O ASN A 71 2.495 -5.224 3.689 1.00 0.00 O ATOM 1017 CB ASN A 71 4.807 -7.546 3.393 1.00 0.00 C ATOM 1018 CG ASN A 71 5.383 -8.782 2.697 1.00 0.00 C ATOM 1019 OD1 ASN A 71 5.000 -9.896 2.996 1.00 0.00 O ATOM 1020 ND2 ASN A 71 6.293 -8.631 1.774 1.00 0.00 N ATOM 0 H ASN A 71 3.946 -8.084 1.043 1.00 0.00 H new ATOM 0 HA ASN A 71 2.663 -7.742 3.694 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.402 -6.667 3.146 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.856 -7.670 4.475 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.683 -9.448 1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.615 -7.696 1.523 1.00 0.00 H new ATOM 1027 N LEU A 72 3.539 -5.228 1.761 1.00 0.00 N ATOM 1028 CA LEU A 72 3.352 -3.756 1.611 1.00 0.00 C ATOM 1029 C LEU A 72 1.994 -3.387 1.015 1.00 0.00 C ATOM 1030 O LEU A 72 1.515 -3.985 0.072 1.00 0.00 O ATOM 1031 CB LEU A 72 4.445 -3.208 0.703 1.00 0.00 C ATOM 1032 CG LEU A 72 5.804 -3.349 1.387 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.904 -3.171 0.346 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.959 -2.277 2.473 1.00 0.00 C ATOM 0 H LEU A 72 4.035 -5.684 0.995 1.00 0.00 H new ATOM 0 HA LEU A 72 3.403 -3.321 2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.447 -3.746 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.249 -2.160 0.474 1.00 0.00 H new ATOM 0 HG LEU A 72 5.877 -4.335 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.878 -3.270 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.801 -3.933 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.821 -2.183 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.931 -2.385 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.887 -1.288 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.170 -2.395 3.216 1.00 0.00 H new ATOM 1046 N THR A 73 1.408 -2.357 1.557 1.00 0.00 N ATOM 1047 CA THR A 73 0.106 -1.842 1.055 1.00 0.00 C ATOM 1048 C THR A 73 0.086 -0.341 1.351 1.00 0.00 C ATOM 1049 O THR A 73 0.870 0.131 2.147 1.00 0.00 O ATOM 1050 CB THR A 73 -1.050 -2.539 1.778 1.00 0.00 C ATOM 1051 OG1 THR A 73 -2.275 -1.914 1.421 1.00 0.00 O ATOM 1052 CG2 THR A 73 -0.844 -2.437 3.290 1.00 0.00 C ATOM 0 H THR A 73 1.789 -1.838 2.348 1.00 0.00 H new ATOM 0 HA THR A 73 -0.008 -2.033 -0.012 1.00 0.00 H new ATOM 0 HB THR A 73 -1.080 -3.589 1.488 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.192 -1.518 0.528 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.667 -2.933 3.804 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.096 -2.917 3.562 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.814 -1.388 3.583 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.768 0.426 0.725 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.757 1.899 1.000 1.00 0.00 C ATOM 1062 C VAL A 74 -2.122 2.380 1.491 1.00 0.00 C ATOM 1063 O VAL A 74 -3.148 2.116 0.898 1.00 0.00 O ATOM 1064 CB VAL A 74 -0.368 2.649 -0.277 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -1.143 2.075 -1.464 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -0.700 4.138 -0.132 1.00 0.00 C ATOM 0 H VAL A 74 -1.461 0.108 0.048 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.028 2.100 1.785 1.00 0.00 H new ATOM 0 HB VAL A 74 0.703 2.532 -0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.865 2.610 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.904 1.018 -1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.213 2.188 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.420 4.664 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.769 4.257 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.147 4.554 0.710 1.00 0.00 H new ATOM 1076 N ASN A 75 -2.119 3.104 2.580 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.390 3.640 3.137 1.00 0.00 C ATOM 1078 C ASN A 75 -3.745 4.925 2.395 1.00 0.00 C ATOM 1079 O ASN A 75 -3.176 5.971 2.635 1.00 0.00 O ATOM 1080 CB ASN A 75 -3.205 3.943 4.626 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.571 4.176 5.272 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.611 4.384 4.511 1.00 0.00 O flip ATOM 1083 ND2 ASN A 75 -4.695 4.170 6.480 1.00 0.00 N flip ATOM 0 H ASN A 75 -1.282 3.347 3.109 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.189 2.908 3.017 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.696 3.113 5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.576 4.824 4.753 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -3.883 4.008 7.075 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.611 4.327 6.899 1.00 0.00 H new ATOM 1090 N LEU A 76 -4.675 4.853 1.490 1.00 0.00 N ATOM 1091 CA LEU A 76 -5.064 6.067 0.722 1.00 0.00 C ATOM 1092 C LEU A 76 -5.804 7.028 1.647 1.00 0.00 C ATOM 1093 O LEU A 76 -6.430 7.975 1.215 1.00 0.00 O ATOM 1094 CB LEU A 76 -5.954 5.649 -0.446 1.00 0.00 C ATOM 1095 CG LEU A 76 -5.347 4.401 -1.120 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -6.369 3.265 -1.127 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -4.931 4.717 -2.559 1.00 0.00 C ATOM 0 H LEU A 76 -5.185 4.004 1.247 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.180 6.570 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.962 5.433 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.037 6.463 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.466 4.098 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.934 2.387 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.648 3.020 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.255 3.576 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.505 3.825 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.804 5.037 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.188 5.514 -2.556 1.00 0.00 H new ATOM 1109 N THR A 77 -5.714 6.792 2.926 1.00 0.00 N ATOM 1110 CA THR A 77 -6.382 7.685 3.908 1.00 0.00 C ATOM 1111 C THR A 77 -5.367 8.711 4.396 1.00 0.00 C ATOM 1112 O THR A 77 -5.676 9.870 4.593 1.00 0.00 O ATOM 1113 CB THR A 77 -6.864 6.852 5.093 1.00 0.00 C ATOM 1114 OG1 THR A 77 -7.685 5.800 4.613 1.00 0.00 O ATOM 1115 CG2 THR A 77 -7.650 7.741 6.058 1.00 0.00 C ATOM 0 H THR A 77 -5.201 6.011 3.335 1.00 0.00 H new ATOM 0 HA THR A 77 -7.231 8.187 3.445 1.00 0.00 H new ATOM 0 HB THR A 77 -6.011 6.429 5.624 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.124 5.038 4.358 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.994 7.145 6.904 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.007 8.545 6.418 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.510 8.168 5.541 1.00 0.00 H new ATOM 1123 N THR A 78 -4.152 8.279 4.597 1.00 0.00 N ATOM 1124 CA THR A 78 -3.087 9.207 5.085 1.00 0.00 C ATOM 1125 C THR A 78 -1.944 9.301 4.069 1.00 0.00 C ATOM 1126 O THR A 78 -1.121 10.192 4.137 1.00 0.00 O ATOM 1127 CB THR A 78 -2.534 8.690 6.412 1.00 0.00 C ATOM 1128 OG1 THR A 78 -3.613 8.331 7.265 1.00 0.00 O ATOM 1129 CG2 THR A 78 -1.694 9.779 7.079 1.00 0.00 C ATOM 0 H THR A 78 -3.848 7.318 4.444 1.00 0.00 H new ATOM 0 HA THR A 78 -3.523 10.197 5.218 1.00 0.00 H new ATOM 0 HB THR A 78 -1.909 7.816 6.228 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.670 8.969 8.007 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.301 9.407 8.025 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.866 10.052 6.425 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.315 10.656 7.264 1.00 0.00 H new ATOM 1137 N PHE A 79 -1.884 8.397 3.130 1.00 0.00 N ATOM 1138 CA PHE A 79 -0.793 8.441 2.108 1.00 0.00 C ATOM 1139 C PHE A 79 0.506 7.864 2.688 1.00 0.00 C ATOM 1140 O PHE A 79 1.554 8.475 2.623 1.00 0.00 O ATOM 1141 CB PHE A 79 -0.562 9.891 1.654 1.00 0.00 C ATOM 1142 CG PHE A 79 -0.138 9.912 0.203 1.00 0.00 C ATOM 1143 CD1 PHE A 79 1.160 10.305 -0.144 1.00 0.00 C ATOM 1144 CD2 PHE A 79 -1.045 9.536 -0.795 1.00 0.00 C ATOM 1145 CE1 PHE A 79 1.550 10.324 -1.489 1.00 0.00 C ATOM 1146 CE2 PHE A 79 -0.656 9.556 -2.139 1.00 0.00 C ATOM 1147 CZ PHE A 79 0.642 9.949 -2.487 1.00 0.00 C ATOM 0 H PHE A 79 -2.544 7.627 3.024 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.092 7.838 1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.475 10.472 1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.204 10.358 2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 79 1.861 10.594 0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.046 9.230 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 79 2.551 10.628 -1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.357 9.268 -2.908 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.943 9.963 -3.524 1.00 0.00 H new ATOM 1157 N ARG A 80 0.443 6.677 3.221 1.00 0.00 N ATOM 1158 CA ARG A 80 1.658 6.020 3.776 1.00 0.00 C ATOM 1159 C ARG A 80 1.553 4.532 3.459 1.00 0.00 C ATOM 1160 O ARG A 80 0.602 4.093 2.845 1.00 0.00 O ATOM 1161 CB ARG A 80 1.760 6.226 5.296 1.00 0.00 C ATOM 1162 CG ARG A 80 0.420 6.705 5.870 1.00 0.00 C ATOM 1163 CD ARG A 80 0.360 6.347 7.358 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.942 6.784 7.943 1.00 0.00 N ATOM 1165 CZ ARG A 80 -1.958 5.960 7.983 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -3.085 6.342 8.519 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -1.851 4.759 7.480 1.00 0.00 N ATOM 0 H ARG A 80 -0.412 6.126 3.297 1.00 0.00 H new ATOM 0 HA ARG A 80 2.552 6.457 3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.054 5.292 5.776 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.538 6.957 5.518 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.317 7.782 5.737 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.407 6.237 5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.481 5.271 7.486 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.184 6.826 7.888 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.040 7.729 8.313 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.173 7.282 8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.878 5.701 8.551 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.973 4.461 7.054 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.645 4.120 7.513 1.00 0.00 H new ATOM 1181 N LEU A 81 2.515 3.752 3.853 1.00 0.00 N ATOM 1182 CA LEU A 81 2.457 2.295 3.547 1.00 0.00 C ATOM 1183 C LEU A 81 2.392 1.489 4.837 1.00 0.00 C ATOM 1184 O LEU A 81 2.434 2.018 5.929 1.00 0.00 O ATOM 1185 CB LEU A 81 3.708 1.902 2.753 1.00 0.00 C ATOM 1186 CG LEU A 81 3.437 1.996 1.245 1.00 0.00 C ATOM 1187 CD1 LEU A 81 4.690 2.525 0.534 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.068 0.612 0.673 1.00 0.00 C ATOM 0 H LEU A 81 3.338 4.056 4.373 1.00 0.00 H new ATOM 0 HA LEU A 81 1.564 2.084 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.537 2.557 3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.007 0.886 3.012 1.00 0.00 H new ATOM 0 HG LEU A 81 2.602 2.676 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.499 2.592 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.938 3.513 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.524 1.846 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.879 0.699 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.891 -0.082 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.172 0.240 1.170 1.00 0.00 H new ATOM 1200 N TRP A 82 2.292 0.201 4.700 1.00 0.00 N ATOM 1201 CA TRP A 82 2.225 -0.690 5.884 1.00 0.00 C ATOM 1202 C TRP A 82 2.753 -2.061 5.470 1.00 0.00 C ATOM 1203 O TRP A 82 2.151 -2.755 4.674 1.00 0.00 O ATOM 1204 CB TRP A 82 0.774 -0.806 6.357 1.00 0.00 C ATOM 1205 CG TRP A 82 0.735 -1.373 7.742 1.00 0.00 C ATOM 1206 CD1 TRP A 82 1.403 -0.872 8.808 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -0.002 -2.531 8.229 1.00 0.00 C ATOM 1208 NE1 TRP A 82 1.125 -1.653 9.915 1.00 0.00 N ATOM 1209 CE2 TRP A 82 0.264 -2.688 9.609 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -0.866 -3.454 7.611 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -0.307 -3.722 10.353 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -1.443 -4.496 8.356 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -1.163 -4.630 9.724 1.00 0.00 C ATOM 0 H TRP A 82 2.253 -0.280 3.801 1.00 0.00 H new ATOM 0 HA TRP A 82 2.824 -0.289 6.702 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.298 0.174 6.342 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.210 -1.445 5.677 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.047 -0.005 8.796 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.509 -1.485 10.845 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -1.087 -3.361 6.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.089 -3.819 11.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -2.106 -5.198 7.873 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -1.609 -5.434 10.291 1.00 0.00 H new ATOM 1224 N CYS A 83 3.888 -2.445 5.981 1.00 0.00 N ATOM 1225 CA CYS A 83 4.471 -3.754 5.599 1.00 0.00 C ATOM 1226 C CYS A 83 4.050 -4.826 6.593 1.00 0.00 C ATOM 1227 O CYS A 83 4.485 -4.823 7.718 1.00 0.00 O ATOM 1228 CB CYS A 83 5.996 -3.643 5.613 1.00 0.00 C ATOM 1229 SG CYS A 83 6.680 -4.662 4.288 1.00 0.00 S ATOM 0 H CYS A 83 4.437 -1.904 6.649 1.00 0.00 H new ATOM 0 HA CYS A 83 4.117 -4.025 4.604 1.00 0.00 H new ATOM 0 HB2 CYS A 83 6.298 -2.604 5.481 1.00 0.00 H new ATOM 0 HB3 CYS A 83 6.387 -3.969 6.577 1.00 0.00 H new ATOM 0 HG CYS A 83 7.921 -4.942 4.553 1.00 0.00 H new ATOM 1234 N TYR A 84 3.243 -5.762 6.189 1.00 0.00 N ATOM 1235 CA TYR A 84 2.864 -6.839 7.139 1.00 0.00 C ATOM 1236 C TYR A 84 4.100 -7.710 7.336 1.00 0.00 C ATOM 1237 O TYR A 84 4.090 -8.686 8.060 1.00 0.00 O ATOM 1238 CB TYR A 84 1.715 -7.675 6.564 1.00 0.00 C ATOM 1239 CG TYR A 84 1.041 -8.442 7.678 1.00 0.00 C ATOM 1240 CD1 TYR A 84 1.429 -9.759 7.954 1.00 0.00 C ATOM 1241 CD2 TYR A 84 0.031 -7.837 8.434 1.00 0.00 C ATOM 1242 CE1 TYR A 84 0.805 -10.470 8.986 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -0.593 -8.548 9.465 1.00 0.00 C ATOM 1244 CZ TYR A 84 -0.206 -9.865 9.742 1.00 0.00 C ATOM 1245 OH TYR A 84 -0.820 -10.566 10.760 1.00 0.00 O ATOM 0 H TYR A 84 2.834 -5.829 5.257 1.00 0.00 H new ATOM 0 HA TYR A 84 2.526 -6.420 8.087 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.994 -7.027 6.066 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.095 -8.366 5.811 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.209 -10.226 7.371 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.267 -6.821 8.222 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.104 -11.486 9.199 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.373 -8.081 10.047 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.498 -10.000 11.185 1.00 0.00 H new ATOM 1255 N ALA A 85 5.179 -7.327 6.703 1.00 0.00 N ATOM 1256 CA ALA A 85 6.450 -8.078 6.844 1.00 0.00 C ATOM 1257 C ALA A 85 7.309 -7.307 7.840 1.00 0.00 C ATOM 1258 O ALA A 85 7.493 -7.723 8.967 1.00 0.00 O ATOM 1259 CB ALA A 85 7.168 -8.166 5.497 1.00 0.00 C ATOM 0 H ALA A 85 5.228 -6.515 6.088 1.00 0.00 H new ATOM 0 HA ALA A 85 6.262 -9.095 7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.099 -8.720 5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.530 -8.679 4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.387 -7.161 5.135 1.00 0.00 H new ATOM 1265 N CYS A 86 7.786 -6.149 7.456 1.00 0.00 N ATOM 1266 CA CYS A 86 8.561 -5.334 8.412 1.00 0.00 C ATOM 1267 C CYS A 86 7.577 -4.940 9.502 1.00 0.00 C ATOM 1268 O CYS A 86 7.934 -4.445 10.553 1.00 0.00 O ATOM 1269 CB CYS A 86 9.103 -4.084 7.707 1.00 0.00 C ATOM 1270 SG CYS A 86 10.018 -4.576 6.226 1.00 0.00 S ATOM 0 H CYS A 86 7.668 -5.744 6.527 1.00 0.00 H new ATOM 0 HA CYS A 86 9.414 -5.877 8.819 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.281 -3.421 7.436 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.754 -3.527 8.381 1.00 0.00 H new ATOM 0 HG CYS A 86 9.627 -3.858 5.216 1.00 0.00 H new ATOM 1275 N GLU A 87 6.320 -5.183 9.233 1.00 0.00 N ATOM 1276 CA GLU A 87 5.248 -4.864 10.208 1.00 0.00 C ATOM 1277 C GLU A 87 5.448 -3.442 10.740 1.00 0.00 C ATOM 1278 O GLU A 87 5.672 -3.220 11.914 1.00 0.00 O ATOM 1279 CB GLU A 87 5.290 -5.901 11.330 1.00 0.00 C ATOM 1280 CG GLU A 87 3.981 -6.699 11.356 1.00 0.00 C ATOM 1281 CD GLU A 87 2.853 -5.814 11.889 1.00 0.00 C ATOM 1282 OE1 GLU A 87 1.824 -6.357 12.258 1.00 0.00 O ATOM 1283 OE2 GLU A 87 3.036 -4.609 11.919 1.00 0.00 O ATOM 0 H GLU A 87 5.991 -5.597 8.361 1.00 0.00 H new ATOM 0 HA GLU A 87 4.267 -4.903 9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.134 -6.575 11.182 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.443 -5.405 12.289 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.738 -7.052 10.354 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.093 -7.582 11.986 1.00 0.00 H new ATOM 1290 N LYS A 88 5.358 -2.477 9.866 1.00 0.00 N ATOM 1291 CA LYS A 88 5.526 -1.057 10.283 1.00 0.00 C ATOM 1292 C LYS A 88 4.912 -0.155 9.211 1.00 0.00 C ATOM 1293 O LYS A 88 4.345 -0.628 8.250 1.00 0.00 O ATOM 1294 CB LYS A 88 7.014 -0.735 10.432 1.00 0.00 C ATOM 1295 CG LYS A 88 7.781 -1.350 9.263 1.00 0.00 C ATOM 1296 CD LYS A 88 9.223 -0.837 9.265 1.00 0.00 C ATOM 1297 CE LYS A 88 9.951 -1.335 10.519 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.737 -0.369 11.634 1.00 0.00 N ATOM 0 H LYS A 88 5.174 -2.614 8.872 1.00 0.00 H new ATOM 0 HA LYS A 88 5.030 -0.891 11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.164 0.344 10.453 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.390 -1.128 11.376 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.772 -2.437 9.341 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.295 -1.094 8.322 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.742 -1.182 8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.231 0.253 9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.580 -2.320 10.801 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.017 -1.442 10.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.657 -0.051 11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.201 0.451 11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.203 -0.832 12.397 1.00 0.00 H new ATOM 1312 N GLU A 89 5.025 1.137 9.365 1.00 0.00 N ATOM 1313 CA GLU A 89 4.448 2.073 8.352 1.00 0.00 C ATOM 1314 C GLU A 89 5.592 2.734 7.578 1.00 0.00 C ATOM 1315 O GLU A 89 6.636 3.017 8.131 1.00 0.00 O ATOM 1316 CB GLU A 89 3.612 3.142 9.074 1.00 0.00 C ATOM 1317 CG GLU A 89 2.215 3.236 8.448 1.00 0.00 C ATOM 1318 CD GLU A 89 1.249 3.874 9.449 1.00 0.00 C ATOM 1319 OE1 GLU A 89 0.088 3.498 9.444 1.00 0.00 O ATOM 1320 OE2 GLU A 89 1.686 4.727 10.203 1.00 0.00 O ATOM 0 H GLU A 89 5.493 1.588 10.151 1.00 0.00 H new ATOM 0 HA GLU A 89 3.809 1.530 7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.528 2.895 10.132 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.112 4.108 9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.253 3.830 7.535 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.863 2.243 8.168 1.00 0.00 H new ATOM 1327 N VAL A 90 5.419 2.974 6.301 1.00 0.00 N ATOM 1328 CA VAL A 90 6.526 3.603 5.521 1.00 0.00 C ATOM 1329 C VAL A 90 5.953 4.499 4.416 1.00 0.00 C ATOM 1330 O VAL A 90 4.941 4.207 3.827 1.00 0.00 O ATOM 1331 CB VAL A 90 7.407 2.501 4.905 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.288 1.891 6.000 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.531 1.397 4.283 1.00 0.00 C ATOM 0 H VAL A 90 4.572 2.765 5.773 1.00 0.00 H new ATOM 0 HA VAL A 90 7.130 4.219 6.187 1.00 0.00 H new ATOM 0 HB VAL A 90 8.028 2.939 4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.914 1.110 5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.921 2.666 6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.657 1.462 6.778 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.169 0.626 3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.899 0.956 5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.904 1.827 3.502 1.00 0.00 H new ATOM 1343 N PHE A 91 6.603 5.591 4.135 1.00 0.00 N ATOM 1344 CA PHE A 91 6.112 6.512 3.070 1.00 0.00 C ATOM 1345 C PHE A 91 6.946 6.309 1.821 1.00 0.00 C ATOM 1346 O PHE A 91 7.975 5.666 1.850 1.00 0.00 O ATOM 1347 CB PHE A 91 6.307 7.962 3.496 1.00 0.00 C ATOM 1348 CG PHE A 91 5.464 8.260 4.712 1.00 0.00 C ATOM 1349 CD1 PHE A 91 4.338 9.087 4.600 1.00 0.00 C ATOM 1350 CD2 PHE A 91 5.807 7.710 5.953 1.00 0.00 C ATOM 1351 CE1 PHE A 91 3.557 9.363 5.728 1.00 0.00 C ATOM 1352 CE2 PHE A 91 5.026 7.988 7.081 1.00 0.00 C ATOM 1353 CZ PHE A 91 3.901 8.814 6.969 1.00 0.00 C ATOM 0 H PHE A 91 7.460 5.889 4.600 1.00 0.00 H new ATOM 0 HA PHE A 91 5.057 6.303 2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.358 8.146 3.718 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.032 8.630 2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.073 9.511 3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.674 7.072 6.040 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.689 10.000 5.641 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.291 7.565 8.039 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.299 9.028 7.840 1.00 0.00 H new ATOM 1363 N LEU A 92 6.528 6.879 0.726 1.00 0.00 N ATOM 1364 CA LEU A 92 7.323 6.746 -0.512 1.00 0.00 C ATOM 1365 C LEU A 92 8.794 6.917 -0.139 1.00 0.00 C ATOM 1366 O LEU A 92 9.139 7.721 0.704 1.00 0.00 O ATOM 1367 CB LEU A 92 6.912 7.836 -1.505 1.00 0.00 C ATOM 1368 CG LEU A 92 5.407 7.742 -1.790 1.00 0.00 C ATOM 1369 CD1 LEU A 92 4.906 9.081 -2.335 1.00 0.00 C ATOM 1370 CD2 LEU A 92 5.142 6.645 -2.826 1.00 0.00 C ATOM 0 H LEU A 92 5.673 7.428 0.641 1.00 0.00 H new ATOM 0 HA LEU A 92 7.156 5.773 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.154 8.819 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.474 7.726 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 92 4.883 7.501 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.837 9.014 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.088 9.864 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.436 9.320 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.072 6.583 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.669 6.882 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.496 5.688 -2.442 1.00 0.00 H new ATOM 1382 N GLU A 93 9.650 6.157 -0.738 1.00 0.00 N ATOM 1383 CA GLU A 93 11.104 6.248 -0.418 1.00 0.00 C ATOM 1384 C GLU A 93 11.571 7.713 -0.437 1.00 0.00 C ATOM 1385 O GLU A 93 12.738 7.995 -0.262 1.00 0.00 O ATOM 1386 CB GLU A 93 11.906 5.431 -1.436 1.00 0.00 C ATOM 1387 CG GLU A 93 11.431 5.753 -2.854 1.00 0.00 C ATOM 1388 CD GLU A 93 11.788 4.598 -3.791 1.00 0.00 C ATOM 1389 OE1 GLU A 93 12.894 4.092 -3.681 1.00 0.00 O ATOM 1390 OE2 GLU A 93 10.952 4.237 -4.602 1.00 0.00 O ATOM 0 H GLU A 93 9.409 5.464 -1.447 1.00 0.00 H new ATOM 0 HA GLU A 93 11.270 5.846 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.968 5.656 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.786 4.366 -1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.354 5.918 -2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.896 6.675 -3.203 1.00 0.00 H new ATOM 1397 N GLN A 94 10.672 8.646 -0.637 1.00 0.00 N ATOM 1398 CA GLN A 94 11.067 10.087 -0.651 1.00 0.00 C ATOM 1399 C GLN A 94 12.003 10.377 -1.825 1.00 0.00 C ATOM 1400 O GLN A 94 12.305 11.519 -2.114 1.00 0.00 O ATOM 1401 CB GLN A 94 11.788 10.435 0.650 1.00 0.00 C ATOM 1402 CG GLN A 94 11.067 9.783 1.831 1.00 0.00 C ATOM 1403 CD GLN A 94 11.543 10.423 3.137 1.00 0.00 C ATOM 1404 OE1 GLN A 94 10.974 11.394 3.593 1.00 0.00 O ATOM 1405 NE2 GLN A 94 12.570 9.916 3.761 1.00 0.00 N ATOM 0 H GLN A 94 9.679 8.470 -0.791 1.00 0.00 H new ATOM 0 HA GLN A 94 10.164 10.689 -0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.821 10.090 0.607 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.818 11.517 0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.989 9.906 1.725 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.266 8.711 1.845 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.048 9.100 3.378 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.895 10.335 4.632 1.00 0.00 H new