USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 35 CYS SG : rot -94:sc= -0.159 USER MOD Set 1.2: A 69 SER OG : rot 180:sc= -0.0399 USER MOD Set 1.3: A 71 THR OG1 : rot 141:sc= 0.64 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0332) USER MOD Single : A 11 GLN : amide:sc= -0.082 X(o=-0.082,f=-0.082) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00819 USER MOD Single : A 16 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.7!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.051) USER MOD Single : A 21 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.00864) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 160:sc= -0.0596 USER MOD Single : A 38 THR OG1 : rot -87:sc= 0.817 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 163:sc= -4.05! (180deg=-6.71!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.1!) USER MOD Single : A 53 THR OG1 : rot -160:sc= 0.463 USER MOD Single : A 58 GLN : amide:sc= -0.781 K(o=-0.78,f=-0.26) USER MOD Single : A 60 MET CE :methyl -176:sc=-0.00592 (180deg=-0.0406) USER MOD Single : A 80 MET CE :methyl 173:sc= -2.5! (180deg=-2.69!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.123 -2.690 -18.485 1.00 0.00 N ATOM 47 CA ILE A 4 8.395 -3.764 -17.797 1.00 0.00 C ATOM 48 C ILE A 4 6.952 -3.337 -17.509 1.00 0.00 C ATOM 49 O ILE A 4 6.053 -4.173 -17.433 1.00 0.00 O ATOM 50 CB ILE A 4 9.087 -4.177 -16.480 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.806 -3.146 -15.364 1.00 0.00 C ATOM 52 CG2 ILE A 4 10.598 -4.323 -16.698 1.00 0.00 C ATOM 53 CD1 ILE A 4 9.658 -1.886 -15.550 1.00 0.00 C ATOM 0 HA ILE A 4 8.393 -4.627 -18.463 1.00 0.00 H new ATOM 0 HB ILE A 4 8.680 -5.139 -16.167 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.749 -2.878 -15.369 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.017 -3.591 -14.392 1.00 0.00 H new ATOM 0 HG21 ILE A 4 11.074 -4.614 -15.762 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.785 -5.087 -17.453 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.011 -3.372 -17.034 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.440 -1.178 -14.751 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.714 -2.153 -15.520 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.427 -1.429 -16.512 1.00 0.00 H new ATOM 65 N TYR A 5 6.743 -2.023 -17.357 1.00 0.00 N ATOM 66 CA TYR A 5 5.407 -1.484 -17.089 1.00 0.00 C ATOM 67 C TYR A 5 4.519 -1.630 -18.323 1.00 0.00 C ATOM 68 O TYR A 5 3.314 -1.843 -18.212 1.00 0.00 O ATOM 69 CB TYR A 5 5.488 0.000 -16.714 1.00 0.00 C ATOM 70 CG TYR A 5 6.456 0.183 -15.567 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.187 -0.401 -14.325 1.00 0.00 C ATOM 72 CD2 TYR A 5 7.623 0.936 -15.749 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.083 -0.236 -13.263 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.520 1.102 -14.688 1.00 0.00 C ATOM 75 CZ TYR A 5 8.250 0.517 -13.444 1.00 0.00 C ATOM 76 OH TYR A 5 9.136 0.680 -12.398 1.00 0.00 O ATOM 0 H TYR A 5 7.478 -1.318 -17.415 1.00 0.00 H new ATOM 0 HA TYR A 5 4.980 -2.046 -16.258 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.813 0.585 -17.574 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.502 0.368 -16.432 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.286 -0.980 -14.185 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.830 1.388 -16.708 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.875 -0.689 -12.305 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.421 1.681 -14.828 1.00 0.00 H new ATOM 0 HH TYR A 5 9.893 1.228 -12.693 1.00 0.00 H new ATOM 86 N LYS A 6 5.139 -1.519 -19.503 1.00 0.00 N ATOM 87 CA LYS A 6 4.407 -1.644 -20.768 1.00 0.00 C ATOM 88 C LYS A 6 4.105 -3.111 -21.056 1.00 0.00 C ATOM 89 O LYS A 6 3.038 -3.453 -21.569 1.00 0.00 O ATOM 90 CB LYS A 6 5.225 -1.065 -21.933 1.00 0.00 C ATOM 91 CG LYS A 6 5.881 0.261 -21.520 1.00 0.00 C ATOM 92 CD LYS A 6 4.858 1.150 -20.803 1.00 0.00 C ATOM 93 CE LYS A 6 5.580 2.279 -20.061 1.00 0.00 C ATOM 94 NZ LYS A 6 6.206 3.213 -21.042 1.00 0.00 N ATOM 0 H LYS A 6 6.138 -1.344 -19.608 1.00 0.00 H new ATOM 0 HA LYS A 6 3.476 -1.085 -20.674 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.991 -1.778 -22.237 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.578 -0.905 -22.796 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.730 0.068 -20.864 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.268 0.775 -22.400 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.156 1.568 -21.525 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.275 0.555 -20.100 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.875 2.820 -19.430 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.343 1.864 -19.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.606 4.029 -20.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.963 2.719 -21.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.486 3.542 -21.716 1.00 0.00 H new ATOM 108 N ALA A 7 5.059 -3.973 -20.706 1.00 0.00 N ATOM 109 CA ALA A 7 4.897 -5.412 -20.911 1.00 0.00 C ATOM 110 C ALA A 7 3.932 -6.001 -19.876 1.00 0.00 C ATOM 111 O ALA A 7 3.281 -7.015 -20.133 1.00 0.00 O ATOM 112 CB ALA A 7 6.247 -6.122 -20.791 1.00 0.00 C ATOM 0 H ALA A 7 5.946 -3.703 -20.282 1.00 0.00 H new ATOM 0 HA ALA A 7 4.490 -5.564 -21.911 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.110 -7.192 -20.946 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.932 -5.731 -21.543 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.662 -5.949 -19.798 1.00 0.00 H new ATOM 118 N ALA A 8 3.848 -5.356 -18.705 1.00 0.00 N ATOM 119 CA ALA A 8 2.962 -5.827 -17.639 1.00 0.00 C ATOM 120 C ALA A 8 1.554 -5.259 -17.804 1.00 0.00 C ATOM 121 O ALA A 8 0.568 -5.967 -17.598 1.00 0.00 O ATOM 122 CB ALA A 8 3.502 -5.417 -16.269 1.00 0.00 C ATOM 0 H ALA A 8 4.378 -4.515 -18.476 1.00 0.00 H new ATOM 0 HA ALA A 8 2.921 -6.914 -17.707 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.829 -5.776 -15.490 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.491 -5.851 -16.123 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.571 -4.331 -16.215 1.00 0.00 H new ATOM 128 N VAL A 9 1.466 -3.976 -18.180 1.00 0.00 N ATOM 129 CA VAL A 9 0.161 -3.334 -18.369 1.00 0.00 C ATOM 130 C VAL A 9 -0.653 -4.073 -19.438 1.00 0.00 C ATOM 131 O VAL A 9 -1.881 -4.134 -19.363 1.00 0.00 O ATOM 132 CB VAL A 9 0.333 -1.856 -18.758 1.00 0.00 C ATOM 133 CG1 VAL A 9 0.678 -1.727 -20.244 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.966 -1.098 -18.468 1.00 0.00 C ATOM 0 H VAL A 9 2.269 -3.372 -18.356 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.381 -3.382 -17.424 1.00 0.00 H new ATOM 0 HB VAL A 9 1.148 -1.432 -18.172 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.796 -0.674 -20.500 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.608 -2.257 -20.449 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.124 -2.158 -20.843 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.845 -0.050 -18.743 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.779 -1.534 -19.048 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.199 -1.169 -17.406 1.00 0.00 H new ATOM 144 N GLU A 10 0.050 -4.649 -20.423 1.00 0.00 N ATOM 145 CA GLU A 10 -0.609 -5.402 -21.492 1.00 0.00 C ATOM 146 C GLU A 10 -1.205 -6.707 -20.953 1.00 0.00 C ATOM 147 O GLU A 10 -2.150 -7.248 -21.528 1.00 0.00 O ATOM 148 CB GLU A 10 0.386 -5.735 -22.608 1.00 0.00 C ATOM 149 CG GLU A 10 0.523 -4.535 -23.548 1.00 0.00 C ATOM 150 CD GLU A 10 1.018 -5.006 -24.913 1.00 0.00 C ATOM 151 OE1 GLU A 10 2.223 -5.073 -25.093 1.00 0.00 O ATOM 152 OE2 GLU A 10 0.185 -5.294 -25.757 1.00 0.00 O ATOM 0 H GLU A 10 1.066 -4.607 -20.499 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.409 -4.778 -21.890 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.356 -5.988 -22.181 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.045 -6.608 -23.164 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.438 -4.031 -23.653 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.220 -3.809 -23.128 1.00 0.00 H new ATOM 159 N GLN A 11 -0.651 -7.202 -19.836 1.00 0.00 N ATOM 160 CA GLN A 11 -1.150 -8.441 -19.231 1.00 0.00 C ATOM 161 C GLN A 11 -2.417 -8.163 -18.425 1.00 0.00 C ATOM 162 O GLN A 11 -3.355 -8.962 -18.427 1.00 0.00 O ATOM 163 CB GLN A 11 -0.099 -9.062 -18.300 1.00 0.00 C ATOM 164 CG GLN A 11 1.233 -9.223 -19.041 1.00 0.00 C ATOM 165 CD GLN A 11 1.092 -10.280 -20.134 1.00 0.00 C ATOM 166 OE1 GLN A 11 1.088 -11.478 -19.849 1.00 0.00 O ATOM 167 NE2 GLN A 11 0.974 -9.905 -21.379 1.00 0.00 N ATOM 0 H GLN A 11 0.130 -6.770 -19.342 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.369 -9.139 -20.040 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.039 -8.431 -17.422 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.445 -10.032 -17.944 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.533 -8.271 -19.479 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.017 -9.513 -18.341 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.977 -8.913 -21.615 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.878 -10.604 -22.115 1.00 0.00 H new ATOM 176 N LEU A 12 -2.431 -7.017 -17.740 1.00 0.00 N ATOM 177 CA LEU A 12 -3.584 -6.625 -16.930 1.00 0.00 C ATOM 178 C LEU A 12 -4.724 -6.126 -17.818 1.00 0.00 C ATOM 179 O LEU A 12 -4.532 -5.840 -19.003 1.00 0.00 O ATOM 180 CB LEU A 12 -3.192 -5.515 -15.953 1.00 0.00 C ATOM 181 CG LEU A 12 -2.102 -5.894 -14.946 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.956 -4.883 -15.024 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.689 -5.893 -13.531 1.00 0.00 C ATOM 0 H LEU A 12 -1.661 -6.348 -17.731 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.918 -7.502 -16.375 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.853 -4.651 -16.525 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.081 -5.204 -15.404 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.723 -6.889 -15.182 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.182 -5.155 -14.307 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.536 -4.886 -16.030 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.333 -3.887 -14.791 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.913 -6.163 -12.815 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.070 -4.899 -13.296 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.502 -6.616 -13.474 1.00 0.00 H new ATOM 195 N THR A 13 -5.914 -6.024 -17.225 1.00 0.00 N ATOM 196 CA THR A 13 -7.094 -5.561 -17.958 1.00 0.00 C ATOM 197 C THR A 13 -7.496 -4.159 -17.501 1.00 0.00 C ATOM 198 O THR A 13 -7.011 -3.655 -16.485 1.00 0.00 O ATOM 199 CB THR A 13 -8.281 -6.516 -17.745 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.153 -7.179 -16.491 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.308 -7.551 -18.872 1.00 0.00 C ATOM 0 H THR A 13 -6.087 -6.254 -16.246 1.00 0.00 H new ATOM 0 HA THR A 13 -6.836 -5.539 -19.017 1.00 0.00 H new ATOM 0 HB THR A 13 -9.208 -5.943 -17.751 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.913 -7.784 -16.362 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.148 -8.229 -18.723 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.417 -7.043 -19.830 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.378 -8.119 -18.866 1.00 0.00 H new ATOM 209 N ASP A 14 -8.407 -3.544 -18.261 1.00 0.00 N ATOM 210 CA ASP A 14 -8.894 -2.202 -17.932 1.00 0.00 C ATOM 211 C ASP A 14 -9.701 -2.243 -16.637 1.00 0.00 C ATOM 212 O ASP A 14 -9.708 -1.284 -15.864 1.00 0.00 O ATOM 213 CB ASP A 14 -9.783 -1.662 -19.057 1.00 0.00 C ATOM 214 CG ASP A 14 -8.915 -1.277 -20.252 1.00 0.00 C ATOM 215 OD1 ASP A 14 -8.415 -0.163 -20.263 1.00 0.00 O ATOM 216 OD2 ASP A 14 -8.763 -2.101 -21.139 1.00 0.00 O ATOM 0 H ASP A 14 -8.819 -3.950 -19.101 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.032 -1.546 -17.809 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.513 -2.416 -19.352 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.344 -0.795 -18.707 1.00 0.00 H new ATOM 221 N GLU A 15 -10.372 -3.377 -16.411 1.00 0.00 N ATOM 222 CA GLU A 15 -11.174 -3.562 -15.205 1.00 0.00 C ATOM 223 C GLU A 15 -10.299 -3.469 -13.954 1.00 0.00 C ATOM 224 O GLU A 15 -10.719 -2.940 -12.926 1.00 0.00 O ATOM 225 CB GLU A 15 -11.888 -4.919 -15.247 1.00 0.00 C ATOM 226 CG GLU A 15 -10.889 -6.085 -15.167 1.00 0.00 C ATOM 227 CD GLU A 15 -11.035 -6.800 -13.823 1.00 0.00 C ATOM 228 OE1 GLU A 15 -10.423 -6.357 -12.865 1.00 0.00 O ATOM 229 OE2 GLU A 15 -11.757 -7.782 -13.776 1.00 0.00 O ATOM 0 H GLU A 15 -10.374 -4.175 -17.046 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.920 -2.769 -15.165 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.593 -4.986 -14.419 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.468 -4.998 -16.167 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.067 -6.785 -15.983 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.871 -5.713 -15.283 1.00 0.00 H new ATOM 236 N GLN A 16 -9.074 -3.982 -14.066 1.00 0.00 N ATOM 237 CA GLN A 16 -8.122 -3.953 -12.950 1.00 0.00 C ATOM 238 C GLN A 16 -7.795 -2.508 -12.573 1.00 0.00 C ATOM 239 O GLN A 16 -7.792 -2.150 -11.395 1.00 0.00 O ATOM 240 CB GLN A 16 -6.826 -4.685 -13.324 1.00 0.00 C ATOM 241 CG GLN A 16 -7.123 -6.168 -13.581 1.00 0.00 C ATOM 242 CD GLN A 16 -7.060 -6.942 -12.267 1.00 0.00 C ATOM 243 OE1 GLN A 16 -7.764 -6.616 -11.310 1.00 0.00 O ATOM 244 NE2 GLN A 16 -6.252 -7.962 -12.161 1.00 0.00 N ATOM 0 H GLN A 16 -8.716 -4.422 -14.914 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.582 -4.456 -12.099 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.386 -4.233 -14.213 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.096 -4.585 -12.521 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.109 -6.278 -14.032 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.401 -6.576 -14.289 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.668 -8.234 -12.952 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.205 -8.487 -11.288 1.00 0.00 H new ATOM 253 N LYS A 17 -7.539 -1.679 -13.592 1.00 0.00 N ATOM 254 CA LYS A 17 -7.232 -0.264 -13.365 1.00 0.00 C ATOM 255 C LYS A 17 -8.466 0.471 -12.835 1.00 0.00 C ATOM 256 O LYS A 17 -8.350 1.379 -12.012 1.00 0.00 O ATOM 257 CB LYS A 17 -6.768 0.405 -14.663 1.00 0.00 C ATOM 258 CG LYS A 17 -5.260 0.198 -14.833 1.00 0.00 C ATOM 259 CD LYS A 17 -5.006 -0.934 -15.833 1.00 0.00 C ATOM 260 CE LYS A 17 -4.960 -0.368 -17.255 1.00 0.00 C ATOM 261 NZ LYS A 17 -5.025 -1.486 -18.241 1.00 0.00 N ATOM 0 H LYS A 17 -7.538 -1.961 -14.572 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.431 -0.209 -12.628 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.302 -0.018 -15.514 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.999 1.470 -14.639 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.794 1.118 -15.184 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.805 -0.043 -13.872 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.066 -1.434 -15.600 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.793 -1.684 -15.755 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.793 0.317 -17.412 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.044 0.205 -17.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.994 -1.100 -19.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.216 -2.124 -18.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.911 -2.015 -18.108 1.00 0.00 H new ATOM 275 N ASN A 18 -9.648 0.056 -13.309 1.00 0.00 N ATOM 276 CA ASN A 18 -10.905 0.667 -12.871 1.00 0.00 C ATOM 277 C ASN A 18 -11.111 0.408 -11.374 1.00 0.00 C ATOM 278 O ASN A 18 -11.443 1.321 -10.615 1.00 0.00 O ATOM 279 CB ASN A 18 -12.083 0.104 -13.696 1.00 0.00 C ATOM 280 CG ASN A 18 -13.252 -0.304 -12.797 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.026 0.544 -12.350 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.427 -1.565 -12.508 1.00 0.00 N ATOM 0 H ASN A 18 -9.758 -0.695 -13.991 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.861 1.744 -13.033 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.418 0.854 -14.413 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.746 -0.759 -14.271 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.205 -1.848 -11.912 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.786 -2.267 -12.878 1.00 0.00 H new ATOM 289 N GLU A 19 -10.890 -0.847 -10.962 1.00 0.00 N ATOM 290 CA GLU A 19 -11.031 -1.222 -9.550 1.00 0.00 C ATOM 291 C GLU A 19 -10.027 -0.442 -8.711 1.00 0.00 C ATOM 292 O GLU A 19 -10.358 0.079 -7.647 1.00 0.00 O ATOM 293 CB GLU A 19 -10.775 -2.720 -9.348 1.00 0.00 C ATOM 294 CG GLU A 19 -11.798 -3.532 -10.144 1.00 0.00 C ATOM 295 CD GLU A 19 -13.116 -3.596 -9.378 1.00 0.00 C ATOM 296 OE1 GLU A 19 -13.263 -4.491 -8.562 1.00 0.00 O ATOM 297 OE2 GLU A 19 -13.960 -2.746 -9.618 1.00 0.00 O ATOM 0 H GLU A 19 -10.616 -1.612 -11.579 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.050 -0.990 -9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.765 -2.973 -9.672 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.843 -2.970 -8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.957 -3.076 -11.121 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.420 -4.539 -10.320 1.00 0.00 H new ATOM 304 N PHE A 20 -8.793 -0.369 -9.218 1.00 0.00 N ATOM 305 CA PHE A 20 -7.720 0.355 -8.533 1.00 0.00 C ATOM 306 C PHE A 20 -8.092 1.826 -8.350 1.00 0.00 C ATOM 307 O PHE A 20 -7.845 2.409 -7.295 1.00 0.00 O ATOM 308 CB PHE A 20 -6.420 0.278 -9.346 1.00 0.00 C ATOM 309 CG PHE A 20 -5.692 -1.024 -9.077 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.355 -2.115 -8.497 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.341 -1.132 -9.420 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.665 -3.309 -8.264 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.652 -2.323 -9.187 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.312 -3.414 -8.608 1.00 0.00 C ATOM 0 H PHE A 20 -8.513 -0.802 -10.098 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.576 -0.110 -7.558 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.646 0.361 -10.409 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.776 1.119 -9.090 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.398 -2.033 -8.230 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.829 -0.292 -9.866 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.176 -4.150 -7.819 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.609 -2.403 -9.454 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.778 -4.335 -8.427 1.00 0.00 H new ATOM 324 N LYS A 21 -8.682 2.419 -9.395 1.00 0.00 N ATOM 325 CA LYS A 21 -9.079 3.827 -9.348 1.00 0.00 C ATOM 326 C LYS A 21 -10.173 4.051 -8.309 1.00 0.00 C ATOM 327 O LYS A 21 -10.056 4.933 -7.463 1.00 0.00 O ATOM 328 CB LYS A 21 -9.579 4.292 -10.716 1.00 0.00 C ATOM 329 CG LYS A 21 -9.183 5.756 -10.929 1.00 0.00 C ATOM 330 CD LYS A 21 -10.226 6.680 -10.296 1.00 0.00 C ATOM 331 CE LYS A 21 -11.489 6.705 -11.162 1.00 0.00 C ATOM 332 NZ LYS A 21 -12.639 6.159 -10.384 1.00 0.00 N ATOM 0 H LYS A 21 -8.893 1.949 -10.275 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.200 4.408 -9.069 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.152 3.670 -11.503 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.662 4.184 -10.776 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.204 5.944 -10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.098 5.967 -11.995 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.469 6.335 -9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.821 7.687 -10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.704 7.725 -11.481 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.335 6.115 -12.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.462 6.050 -11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.381 5.233 -9.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.877 6.813 -9.611 1.00 0.00 H new ATOM 346 N ALA A 22 -11.232 3.241 -8.374 1.00 0.00 N ATOM 347 CA ALA A 22 -12.333 3.367 -7.416 1.00 0.00 C ATOM 348 C ALA A 22 -11.823 3.115 -5.997 1.00 0.00 C ATOM 349 O ALA A 22 -12.156 3.850 -5.067 1.00 0.00 O ATOM 350 CB ALA A 22 -13.446 2.367 -7.733 1.00 0.00 C ATOM 0 H ALA A 22 -11.351 2.503 -9.068 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.733 4.378 -7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.253 2.479 -7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.830 2.555 -8.736 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.050 1.353 -7.681 1.00 0.00 H new ATOM 356 N ALA A 23 -10.995 2.075 -5.850 1.00 0.00 N ATOM 357 CA ALA A 23 -10.416 1.730 -4.549 1.00 0.00 C ATOM 358 C ALA A 23 -9.497 2.850 -4.049 1.00 0.00 C ATOM 359 O ALA A 23 -9.281 2.996 -2.847 1.00 0.00 O ATOM 360 CB ALA A 23 -9.611 0.431 -4.644 1.00 0.00 C ATOM 0 H ALA A 23 -10.712 1.460 -6.613 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.239 1.597 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.189 0.192 -3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.265 -0.380 -4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.805 0.555 -5.367 1.00 0.00 H new ATOM 366 N PHE A 24 -8.962 3.640 -4.986 1.00 0.00 N ATOM 367 CA PHE A 24 -8.076 4.746 -4.634 1.00 0.00 C ATOM 368 C PHE A 24 -8.894 6.000 -4.313 1.00 0.00 C ATOM 369 O PHE A 24 -8.746 6.591 -3.246 1.00 0.00 O ATOM 370 CB PHE A 24 -7.121 5.052 -5.798 1.00 0.00 C ATOM 371 CG PHE A 24 -5.877 5.743 -5.287 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.771 4.984 -4.885 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.826 7.143 -5.220 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.617 5.623 -4.416 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.670 7.779 -4.751 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.568 7.019 -4.348 1.00 0.00 C ATOM 0 H PHE A 24 -9.128 3.532 -5.987 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.498 4.456 -3.756 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.849 4.127 -6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.621 5.684 -6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.808 3.906 -4.937 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.678 7.730 -5.530 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.764 5.037 -4.106 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.630 8.857 -4.701 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.678 7.510 -3.984 1.00 0.00 H new ATOM 386 N ASP A 25 -9.751 6.396 -5.263 1.00 0.00 N ATOM 387 CA ASP A 25 -10.588 7.593 -5.107 1.00 0.00 C ATOM 388 C ASP A 25 -11.392 7.586 -3.801 1.00 0.00 C ATOM 389 O ASP A 25 -11.557 8.632 -3.171 1.00 0.00 O ATOM 390 CB ASP A 25 -11.562 7.725 -6.284 1.00 0.00 C ATOM 391 CG ASP A 25 -11.742 9.199 -6.635 1.00 0.00 C ATOM 392 OD1 ASP A 25 -12.533 9.854 -5.974 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.086 9.652 -7.560 1.00 0.00 O ATOM 0 H ASP A 25 -9.883 5.905 -6.147 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.905 8.442 -5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.182 7.179 -7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.524 7.282 -6.025 1.00 0.00 H new ATOM 398 N ILE A 26 -11.902 6.412 -3.403 1.00 0.00 N ATOM 399 CA ILE A 26 -12.696 6.316 -2.168 1.00 0.00 C ATOM 400 C ILE A 26 -11.901 6.824 -0.959 1.00 0.00 C ATOM 401 O ILE A 26 -12.456 7.471 -0.068 1.00 0.00 O ATOM 402 CB ILE A 26 -13.145 4.872 -1.906 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.927 3.938 -1.910 1.00 0.00 C ATOM 404 CG2 ILE A 26 -14.131 4.440 -2.996 1.00 0.00 C ATOM 405 CD1 ILE A 26 -12.370 2.507 -1.605 1.00 0.00 C ATOM 0 H ILE A 26 -11.783 5.532 -3.905 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.577 6.943 -2.306 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.632 4.817 -0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.431 3.976 -2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.201 4.269 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.451 3.414 -2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.999 5.099 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.645 4.499 -3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.501 1.849 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.845 2.474 -0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.080 2.176 -2.363 1.00 0.00 H new ATOM 417 N PHE A 27 -10.597 6.530 -0.942 1.00 0.00 N ATOM 418 CA PHE A 27 -9.733 6.966 0.156 1.00 0.00 C ATOM 419 C PHE A 27 -9.254 8.404 -0.064 1.00 0.00 C ATOM 420 O PHE A 27 -8.994 9.133 0.896 1.00 0.00 O ATOM 421 CB PHE A 27 -8.521 6.039 0.281 1.00 0.00 C ATOM 422 CG PHE A 27 -8.967 4.697 0.821 1.00 0.00 C ATOM 423 CD1 PHE A 27 -9.565 4.612 2.086 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.796 3.541 0.051 1.00 0.00 C ATOM 425 CE1 PHE A 27 -9.986 3.371 2.579 1.00 0.00 C ATOM 426 CE2 PHE A 27 -9.220 2.302 0.544 1.00 0.00 C ATOM 427 CZ PHE A 27 -9.815 2.216 1.808 1.00 0.00 C ATOM 0 H PHE A 27 -10.121 5.997 -1.670 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.316 6.926 1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.045 5.912 -0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.778 6.481 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.701 5.504 2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.337 3.605 -0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -10.443 3.305 3.555 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.088 1.411 -0.052 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.142 1.259 2.188 1.00 0.00 H new ATOM 437 N ILE A 28 -9.147 8.808 -1.338 1.00 0.00 N ATOM 438 CA ILE A 28 -8.705 10.166 -1.677 1.00 0.00 C ATOM 439 C ILE A 28 -9.915 11.100 -1.835 1.00 0.00 C ATOM 440 O ILE A 28 -9.913 12.014 -2.665 1.00 0.00 O ATOM 441 CB ILE A 28 -7.893 10.159 -2.986 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.875 9.011 -2.987 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.136 11.477 -3.150 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.258 8.832 -1.593 1.00 0.00 C ATOM 0 H ILE A 28 -9.359 8.219 -2.143 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.074 10.528 -0.866 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.594 10.027 -3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.362 8.086 -3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.089 9.216 -3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.567 11.457 -4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.846 12.303 -3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.454 11.612 -2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.539 8.013 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.752 9.751 -1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.045 8.604 -0.873 1.00 0.00 H new ATOM 456 N GLN A 29 -10.946 10.867 -1.017 1.00 0.00 N ATOM 457 CA GLN A 29 -12.153 11.698 -1.060 1.00 0.00 C ATOM 458 C GLN A 29 -11.882 13.065 -0.427 1.00 0.00 C ATOM 459 O GLN A 29 -12.479 14.070 -0.818 1.00 0.00 O ATOM 460 CB GLN A 29 -13.317 11.018 -0.323 1.00 0.00 C ATOM 461 CG GLN A 29 -12.885 10.610 1.090 1.00 0.00 C ATOM 462 CD GLN A 29 -14.114 10.255 1.919 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.926 9.421 1.515 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.302 10.841 3.070 1.00 0.00 N ATOM 0 H GLN A 29 -10.970 10.119 -0.324 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.428 11.830 -2.106 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.168 11.697 -0.269 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.645 10.139 -0.879 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.208 9.757 1.042 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.338 11.425 1.563 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.631 11.532 3.406 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.120 10.608 3.633 1.00 0.00 H new ATOM 473 N ASP A 30 -10.971 13.090 0.555 1.00 0.00 N ATOM 474 CA ASP A 30 -10.619 14.334 1.236 1.00 0.00 C ATOM 475 C ASP A 30 -9.147 14.320 1.672 1.00 0.00 C ATOM 476 O ASP A 30 -8.794 14.843 2.732 1.00 0.00 O ATOM 477 CB ASP A 30 -11.515 14.540 2.463 1.00 0.00 C ATOM 478 CG ASP A 30 -11.897 16.012 2.572 1.00 0.00 C ATOM 479 OD1 ASP A 30 -12.901 16.386 1.989 1.00 0.00 O ATOM 480 OD2 ASP A 30 -11.179 16.744 3.235 1.00 0.00 O ATOM 0 H ASP A 30 -10.470 12.267 0.891 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.770 15.156 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.412 13.926 2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.993 14.221 3.365 1.00 0.00 H new ATOM 485 N ALA A 31 -8.288 13.720 0.838 1.00 0.00 N ATOM 486 CA ALA A 31 -6.858 13.651 1.143 1.00 0.00 C ATOM 487 C ALA A 31 -6.221 15.037 1.044 1.00 0.00 C ATOM 488 O ALA A 31 -6.684 15.897 0.291 1.00 0.00 O ATOM 489 CB ALA A 31 -6.149 12.710 0.168 1.00 0.00 C ATOM 0 H ALA A 31 -8.556 13.281 -0.043 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.750 13.273 2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.087 12.670 0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.577 11.711 0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.277 13.077 -0.850 1.00 0.00 H new ATOM 495 N GLU A 32 -5.150 15.240 1.813 1.00 0.00 N ATOM 496 CA GLU A 32 -4.446 16.527 1.809 1.00 0.00 C ATOM 497 C GLU A 32 -3.712 16.740 0.485 1.00 0.00 C ATOM 498 O GLU A 32 -3.851 17.785 -0.153 1.00 0.00 O ATOM 499 CB GLU A 32 -3.432 16.595 2.956 1.00 0.00 C ATOM 500 CG GLU A 32 -4.163 16.864 4.274 1.00 0.00 C ATOM 501 CD GLU A 32 -3.360 16.282 5.434 1.00 0.00 C ATOM 502 OE1 GLU A 32 -2.512 16.989 5.955 1.00 0.00 O ATOM 503 OE2 GLU A 32 -3.606 15.140 5.785 1.00 0.00 O ATOM 0 H GLU A 32 -4.753 14.540 2.440 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.193 17.310 1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.878 15.659 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.704 17.384 2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.298 17.936 4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.157 16.418 4.247 1.00 0.00 H new ATOM 510 N ASP A 33 -2.931 15.736 0.084 1.00 0.00 N ATOM 511 CA ASP A 33 -2.171 15.813 -1.166 1.00 0.00 C ATOM 512 C ASP A 33 -2.900 15.084 -2.298 1.00 0.00 C ATOM 513 O ASP A 33 -2.893 15.533 -3.445 1.00 0.00 O ATOM 514 CB ASP A 33 -0.784 15.187 -0.982 1.00 0.00 C ATOM 515 CG ASP A 33 0.092 15.506 -2.191 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.679 16.575 -2.206 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.161 14.676 -3.084 1.00 0.00 O ATOM 0 H ASP A 33 -2.808 14.866 0.602 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.070 16.866 -1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.319 15.570 -0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.875 14.107 -0.862 1.00 0.00 H new ATOM 522 N GLY A 34 -3.520 13.951 -1.960 1.00 0.00 N ATOM 523 CA GLY A 34 -4.245 13.153 -2.950 1.00 0.00 C ATOM 524 C GLY A 34 -3.634 11.757 -3.067 1.00 0.00 C ATOM 525 O GLY A 34 -3.418 11.251 -4.170 1.00 0.00 O ATOM 0 H GLY A 34 -3.535 13.568 -1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.294 13.074 -2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.215 13.651 -3.919 1.00 0.00 H new ATOM 529 N CYS A 35 -3.352 11.146 -1.913 1.00 0.00 N ATOM 530 CA CYS A 35 -2.758 9.808 -1.879 1.00 0.00 C ATOM 531 C CYS A 35 -3.063 9.121 -0.548 1.00 0.00 C ATOM 532 O CYS A 35 -3.609 9.735 0.372 1.00 0.00 O ATOM 533 CB CYS A 35 -1.233 9.877 -2.064 1.00 0.00 C ATOM 534 SG CYS A 35 -0.617 11.519 -1.602 1.00 0.00 S ATOM 0 H CYS A 35 -3.525 11.555 -0.994 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.193 9.235 -2.698 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.751 9.115 -1.452 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.976 9.663 -3.101 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.551 12.271 -2.660 1.00 0.00 H new ATOM 540 N ILE A 36 -2.695 7.841 -0.453 1.00 0.00 N ATOM 541 CA ILE A 36 -2.922 7.079 0.778 1.00 0.00 C ATOM 542 C ILE A 36 -1.606 6.914 1.536 1.00 0.00 C ATOM 543 O ILE A 36 -0.551 7.347 1.073 1.00 0.00 O ATOM 544 CB ILE A 36 -3.513 5.691 0.471 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.585 4.919 -0.475 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.889 5.849 -0.185 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.925 3.761 0.281 1.00 0.00 C ATOM 0 H ILE A 36 -2.245 7.316 -1.202 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.635 7.631 1.390 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.614 5.137 1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.152 4.536 -1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.822 5.586 -0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.304 4.865 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.556 6.384 0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.787 6.411 -1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.266 3.214 -0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.344 4.155 1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.694 3.089 0.660 1.00 0.00 H new ATOM 559 N SER A 37 -1.674 6.280 2.705 1.00 0.00 N ATOM 560 CA SER A 37 -0.476 6.059 3.507 1.00 0.00 C ATOM 561 C SER A 37 0.112 4.686 3.199 1.00 0.00 C ATOM 562 O SER A 37 -0.616 3.695 3.105 1.00 0.00 O ATOM 563 CB SER A 37 -0.798 6.147 5.001 1.00 0.00 C ATOM 564 OG SER A 37 0.380 6.497 5.716 1.00 0.00 O ATOM 0 H SER A 37 -2.535 5.915 3.113 1.00 0.00 H new ATOM 0 HA SER A 37 0.248 6.834 3.256 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.576 6.890 5.174 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.184 5.192 5.358 1.00 0.00 H new ATOM 0 HG SER A 37 0.135 6.863 6.591 1.00 0.00 H new ATOM 570 N THR A 38 1.437 4.638 3.048 1.00 0.00 N ATOM 571 CA THR A 38 2.125 3.374 2.757 1.00 0.00 C ATOM 572 C THR A 38 1.837 2.349 3.856 1.00 0.00 C ATOM 573 O THR A 38 1.622 1.167 3.581 1.00 0.00 O ATOM 574 CB THR A 38 3.644 3.579 2.653 1.00 0.00 C ATOM 575 OG1 THR A 38 4.115 4.292 3.793 1.00 0.00 O ATOM 576 CG2 THR A 38 3.974 4.361 1.377 1.00 0.00 C ATOM 0 H THR A 38 2.051 5.449 3.121 1.00 0.00 H new ATOM 0 HA THR A 38 1.751 3.008 1.801 1.00 0.00 H new ATOM 0 HB THR A 38 4.135 2.607 2.614 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.038 5.255 3.631 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.052 4.504 1.307 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.625 3.803 0.508 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.480 5.332 1.407 1.00 0.00 H new ATOM 584 N LYS A 39 1.827 2.824 5.106 1.00 0.00 N ATOM 585 CA LYS A 39 1.553 1.959 6.255 1.00 0.00 C ATOM 586 C LYS A 39 0.088 1.495 6.270 1.00 0.00 C ATOM 587 O LYS A 39 -0.242 0.488 6.899 1.00 0.00 O ATOM 588 CB LYS A 39 1.858 2.703 7.560 1.00 0.00 C ATOM 589 CG LYS A 39 0.950 3.934 7.691 1.00 0.00 C ATOM 590 CD LYS A 39 0.702 4.236 9.170 1.00 0.00 C ATOM 591 CE LYS A 39 0.183 5.669 9.321 1.00 0.00 C ATOM 592 NZ LYS A 39 1.334 6.611 9.427 1.00 0.00 N ATOM 0 H LYS A 39 2.005 3.799 5.346 1.00 0.00 H new ATOM 0 HA LYS A 39 2.195 1.082 6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.707 2.038 8.410 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.904 3.010 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.414 4.793 7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.003 3.755 7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.022 3.531 9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.624 4.111 9.737 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.438 5.933 8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.446 5.747 10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.979 7.583 9.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.910 6.364 10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.917 6.544 8.569 1.00 0.00 H new ATOM 606 N GLU A 40 -0.787 2.239 5.578 1.00 0.00 N ATOM 607 CA GLU A 40 -2.208 1.891 5.530 1.00 0.00 C ATOM 608 C GLU A 40 -2.574 1.188 4.217 1.00 0.00 C ATOM 609 O GLU A 40 -3.755 0.988 3.925 1.00 0.00 O ATOM 610 CB GLU A 40 -3.065 3.151 5.676 1.00 0.00 C ATOM 611 CG GLU A 40 -3.179 3.524 7.157 1.00 0.00 C ATOM 612 CD GLU A 40 -3.589 4.988 7.287 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.773 5.264 7.178 1.00 0.00 O ATOM 614 OE2 GLU A 40 -2.714 5.812 7.495 1.00 0.00 O ATOM 0 H GLU A 40 -0.537 3.075 5.051 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.404 1.207 6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.619 3.973 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.056 2.980 5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.914 2.885 7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.226 3.357 7.659 1.00 0.00 H new ATOM 621 N LEU A 41 -1.560 0.803 3.429 1.00 0.00 N ATOM 622 CA LEU A 41 -1.814 0.114 2.162 1.00 0.00 C ATOM 623 C LEU A 41 -2.448 -1.252 2.420 1.00 0.00 C ATOM 624 O LEU A 41 -3.432 -1.622 1.783 1.00 0.00 O ATOM 625 CB LEU A 41 -0.519 -0.077 1.371 1.00 0.00 C ATOM 626 CG LEU A 41 -0.635 0.208 -0.127 1.00 0.00 C ATOM 627 CD1 LEU A 41 0.674 -0.169 -0.822 1.00 0.00 C ATOM 628 CD2 LEU A 41 -1.786 -0.611 -0.721 1.00 0.00 C ATOM 0 H LEU A 41 -0.574 0.955 3.643 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.497 0.732 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.247 0.574 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.175 -1.102 1.506 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.833 1.269 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.591 0.034 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.491 0.419 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.875 -1.229 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.866 -0.405 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.593 -1.673 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.719 -0.338 -0.228 1.00 0.00 H new ATOM 640 N GLY A 42 -1.881 -1.990 3.375 1.00 0.00 N ATOM 641 CA GLY A 42 -2.408 -3.312 3.727 1.00 0.00 C ATOM 642 C GLY A 42 -3.863 -3.224 4.207 1.00 0.00 C ATOM 643 O GLY A 42 -4.593 -4.218 4.183 1.00 0.00 O ATOM 0 H GLY A 42 -1.065 -1.700 3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.348 -3.972 2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.791 -3.755 4.509 1.00 0.00 H new ATOM 647 N LYS A 43 -4.278 -2.025 4.640 1.00 0.00 N ATOM 648 CA LYS A 43 -5.639 -1.810 5.120 1.00 0.00 C ATOM 649 C LYS A 43 -6.592 -1.519 3.956 1.00 0.00 C ATOM 650 O LYS A 43 -7.732 -1.988 3.947 1.00 0.00 O ATOM 651 CB LYS A 43 -5.660 -0.634 6.103 1.00 0.00 C ATOM 652 CG LYS A 43 -7.079 -0.415 6.629 1.00 0.00 C ATOM 653 CD LYS A 43 -7.624 0.911 6.090 1.00 0.00 C ATOM 654 CE LYS A 43 -8.258 1.710 7.233 1.00 0.00 C ATOM 655 NZ LYS A 43 -7.201 2.478 7.954 1.00 0.00 N ATOM 0 H LYS A 43 -3.687 -1.194 4.665 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.972 -2.718 5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.982 -0.832 6.933 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.303 0.270 5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.724 -1.238 6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.077 -0.403 7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.820 1.487 5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.363 0.722 5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.012 2.392 6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.766 1.036 7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.633 3.020 8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.497 1.819 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.735 3.132 7.293 1.00 0.00 H new ATOM 669 N VAL A 44 -6.119 -0.739 2.975 1.00 0.00 N ATOM 670 CA VAL A 44 -6.950 -0.395 1.817 1.00 0.00 C ATOM 671 C VAL A 44 -7.130 -1.603 0.889 1.00 0.00 C ATOM 672 O VAL A 44 -8.194 -1.779 0.292 1.00 0.00 O ATOM 673 CB VAL A 44 -6.346 0.780 1.029 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.320 2.028 1.916 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.918 0.451 0.591 1.00 0.00 C ATOM 0 H VAL A 44 -5.180 -0.340 2.960 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.927 -0.095 2.197 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.958 0.960 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.892 2.861 1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.336 2.279 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.713 1.833 2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.505 1.293 0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.303 0.260 1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.927 -0.435 -0.045 1.00 0.00 H new ATOM 685 N MET A 45 -6.086 -2.437 0.782 1.00 0.00 N ATOM 686 CA MET A 45 -6.147 -3.632 -0.066 1.00 0.00 C ATOM 687 C MET A 45 -7.257 -4.579 0.398 1.00 0.00 C ATOM 688 O MET A 45 -7.824 -5.314 -0.406 1.00 0.00 O ATOM 689 CB MET A 45 -4.816 -4.399 -0.050 1.00 0.00 C ATOM 690 CG MET A 45 -3.657 -3.471 -0.434 1.00 0.00 C ATOM 691 SD MET A 45 -3.338 -3.601 -2.208 1.00 0.00 S ATOM 692 CE MET A 45 -4.875 -2.821 -2.748 1.00 0.00 C ATOM 0 H MET A 45 -5.198 -2.307 1.267 1.00 0.00 H new ATOM 0 HA MET A 45 -6.355 -3.288 -1.079 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.642 -4.817 0.942 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.864 -5.237 -0.745 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.901 -2.441 -0.173 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.762 -3.739 0.127 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.781 -2.514 -3.790 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.697 -3.531 -2.651 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.076 -1.947 -2.129 1.00 0.00 H new ATOM 702 N ARG A 46 -7.561 -4.551 1.701 1.00 0.00 N ATOM 703 CA ARG A 46 -8.610 -5.413 2.257 1.00 0.00 C ATOM 704 C ARG A 46 -9.940 -5.173 1.541 1.00 0.00 C ATOM 705 O ARG A 46 -10.648 -6.119 1.192 1.00 0.00 O ATOM 706 CB ARG A 46 -8.794 -5.145 3.754 1.00 0.00 C ATOM 707 CG ARG A 46 -7.726 -5.904 4.545 1.00 0.00 C ATOM 708 CD ARG A 46 -7.939 -5.671 6.044 1.00 0.00 C ATOM 709 NE ARG A 46 -9.120 -6.396 6.522 1.00 0.00 N ATOM 710 CZ ARG A 46 -9.605 -6.218 7.758 1.00 0.00 C ATOM 711 NH1 ARG A 46 -9.025 -5.388 8.595 1.00 0.00 N ATOM 712 NH2 ARG A 46 -10.667 -6.884 8.137 1.00 0.00 N ATOM 0 H ARG A 46 -7.101 -3.948 2.383 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.301 -6.448 2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.719 -4.076 3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.788 -5.460 4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.780 -6.969 4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.732 -5.566 4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.058 -5.998 6.596 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.058 -4.605 6.237 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.585 -7.054 5.896 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.195 -4.870 8.307 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.405 -5.262 9.533 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.119 -7.533 7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.042 -6.754 9.077 1.00 0.00 H new ATOM 726 N MET A 47 -10.262 -3.895 1.319 1.00 0.00 N ATOM 727 CA MET A 47 -11.505 -3.529 0.634 1.00 0.00 C ATOM 728 C MET A 47 -11.479 -3.993 -0.826 1.00 0.00 C ATOM 729 O MET A 47 -12.511 -4.375 -1.382 1.00 0.00 O ATOM 730 CB MET A 47 -11.710 -2.009 0.670 1.00 0.00 C ATOM 731 CG MET A 47 -12.502 -1.627 1.922 1.00 0.00 C ATOM 732 SD MET A 47 -11.358 -1.315 3.292 1.00 0.00 S ATOM 733 CE MET A 47 -12.300 0.015 4.078 1.00 0.00 C ATOM 0 H MET A 47 -9.685 -3.103 1.601 1.00 0.00 H new ATOM 0 HA MET A 47 -12.327 -4.022 1.153 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.745 -1.502 0.669 1.00 0.00 H new ATOM 0 HB3 MET A 47 -12.243 -1.683 -0.223 1.00 0.00 H new ATOM 0 HG2 MET A 47 -13.103 -0.739 1.727 1.00 0.00 H new ATOM 0 HG3 MET A 47 -13.192 -2.428 2.186 1.00 0.00 H new ATOM 0 HE1 MET A 47 -11.767 0.365 4.962 1.00 0.00 H new ATOM 0 HE2 MET A 47 -12.419 0.840 3.376 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.282 -0.358 4.370 1.00 0.00 H new ATOM 743 N LEU A 48 -10.290 -3.959 -1.439 1.00 0.00 N ATOM 744 CA LEU A 48 -10.141 -4.380 -2.834 1.00 0.00 C ATOM 745 C LEU A 48 -10.202 -5.909 -2.939 1.00 0.00 C ATOM 746 O LEU A 48 -11.103 -6.461 -3.573 1.00 0.00 O ATOM 747 CB LEU A 48 -8.808 -3.879 -3.397 1.00 0.00 C ATOM 748 CG LEU A 48 -8.572 -4.162 -4.884 1.00 0.00 C ATOM 749 CD1 LEU A 48 -9.063 -2.975 -5.718 1.00 0.00 C ATOM 750 CD2 LEU A 48 -7.076 -4.372 -5.125 1.00 0.00 C ATOM 0 H LEU A 48 -9.426 -3.647 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.959 -3.951 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.747 -2.803 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.999 -4.333 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.120 -5.058 -5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.894 -3.179 -6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.128 -2.823 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.517 -2.077 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.903 -4.574 -6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.531 -3.474 -4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.727 -5.218 -4.532 1.00 0.00 H new ATOM 762 N GLY A 49 -9.235 -6.579 -2.307 1.00 0.00 N ATOM 763 CA GLY A 49 -9.185 -8.044 -2.326 1.00 0.00 C ATOM 764 C GLY A 49 -7.767 -8.558 -2.066 1.00 0.00 C ATOM 765 O GLY A 49 -7.279 -9.443 -2.771 1.00 0.00 O ATOM 0 H GLY A 49 -8.482 -6.136 -1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.862 -8.442 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.535 -8.409 -3.292 1.00 0.00 H new ATOM 769 N GLN A 50 -7.116 -7.993 -1.044 1.00 0.00 N ATOM 770 CA GLN A 50 -5.752 -8.395 -0.689 1.00 0.00 C ATOM 771 C GLN A 50 -5.467 -8.061 0.776 1.00 0.00 C ATOM 772 O GLN A 50 -6.007 -7.097 1.321 1.00 0.00 O ATOM 773 CB GLN A 50 -4.732 -7.671 -1.574 1.00 0.00 C ATOM 774 CG GLN A 50 -4.330 -8.574 -2.744 1.00 0.00 C ATOM 775 CD GLN A 50 -3.101 -7.994 -3.437 1.00 0.00 C ATOM 776 OE1 GLN A 50 -3.203 -7.016 -4.177 1.00 0.00 O ATOM 777 NE2 GLN A 50 -1.932 -8.544 -3.241 1.00 0.00 N ATOM 0 H GLN A 50 -7.509 -7.261 -0.452 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.664 -9.471 -0.843 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.158 -6.741 -1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.852 -7.405 -0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.116 -9.580 -2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.154 -8.658 -3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.846 -9.355 -2.628 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.105 -8.163 -3.701 1.00 0.00 H new ATOM 786 N ASN A 51 -4.610 -8.865 1.409 1.00 0.00 N ATOM 787 CA ASN A 51 -4.265 -8.631 2.812 1.00 0.00 C ATOM 788 C ASN A 51 -2.915 -9.270 3.157 1.00 0.00 C ATOM 789 O ASN A 51 -2.856 -10.389 3.676 1.00 0.00 O ATOM 790 CB ASN A 51 -5.356 -9.196 3.734 1.00 0.00 C ATOM 791 CG ASN A 51 -5.333 -8.462 5.075 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.992 -7.279 5.142 1.00 0.00 O ATOM 793 ND2 ASN A 51 -5.685 -9.096 6.161 1.00 0.00 N ATOM 0 H ASN A 51 -4.150 -9.669 0.982 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.191 -7.554 2.964 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.334 -9.085 3.265 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.196 -10.263 3.890 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.677 -8.613 7.059 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.968 -10.075 6.111 1.00 0.00 H new ATOM 800 N PRO A 52 -1.816 -8.554 2.880 1.00 0.00 N ATOM 801 CA PRO A 52 -0.455 -9.043 3.172 1.00 0.00 C ATOM 802 C PRO A 52 -0.039 -8.766 4.620 1.00 0.00 C ATOM 803 O PRO A 52 -0.868 -8.412 5.461 1.00 0.00 O ATOM 804 CB PRO A 52 0.391 -8.224 2.204 1.00 0.00 C ATOM 805 CG PRO A 52 -0.393 -6.957 1.885 1.00 0.00 C ATOM 806 CD PRO A 52 -1.859 -7.216 2.254 1.00 0.00 C ATOM 0 HA PRO A 52 -0.356 -10.122 3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.356 -7.978 2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.594 -8.791 1.295 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.000 -6.111 2.448 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.302 -6.706 0.828 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.241 -6.461 2.942 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.504 -7.203 1.376 1.00 0.00 H new ATOM 814 N THR A 53 1.257 -8.920 4.894 1.00 0.00 N ATOM 815 CA THR A 53 1.786 -8.671 6.235 1.00 0.00 C ATOM 816 C THR A 53 2.497 -7.317 6.258 1.00 0.00 C ATOM 817 O THR A 53 2.728 -6.716 5.208 1.00 0.00 O ATOM 818 CB THR A 53 2.781 -9.776 6.633 1.00 0.00 C ATOM 819 OG1 THR A 53 4.020 -9.566 5.968 1.00 0.00 O ATOM 820 CG2 THR A 53 2.225 -11.145 6.240 1.00 0.00 C ATOM 0 H THR A 53 1.955 -9.214 4.211 1.00 0.00 H new ATOM 0 HA THR A 53 0.959 -8.668 6.945 1.00 0.00 H new ATOM 0 HB THR A 53 2.933 -9.743 7.712 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.532 -10.402 5.958 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.935 -11.921 6.525 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.278 -11.314 6.752 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.065 -11.177 5.162 1.00 0.00 H new ATOM 828 N PRO A 54 2.871 -6.827 7.444 1.00 0.00 N ATOM 829 CA PRO A 54 3.581 -5.540 7.560 1.00 0.00 C ATOM 830 C PRO A 54 5.030 -5.635 7.080 1.00 0.00 C ATOM 831 O PRO A 54 5.601 -4.655 6.596 1.00 0.00 O ATOM 832 CB PRO A 54 3.499 -5.247 9.053 1.00 0.00 C ATOM 833 CG PRO A 54 3.279 -6.580 9.752 1.00 0.00 C ATOM 834 CD PRO A 54 2.627 -7.516 8.730 1.00 0.00 C ATOM 0 HA PRO A 54 3.146 -4.756 6.940 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.415 -4.773 9.405 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.681 -4.559 9.267 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.225 -6.992 10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.639 -6.457 10.626 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.077 -8.509 8.748 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.562 -7.645 8.923 1.00 0.00 H new ATOM 842 N GLU A 55 5.606 -6.835 7.198 1.00 0.00 N ATOM 843 CA GLU A 55 6.982 -7.067 6.753 1.00 0.00 C ATOM 844 C GLU A 55 7.020 -7.355 5.247 1.00 0.00 C ATOM 845 O GLU A 55 7.985 -7.008 4.562 1.00 0.00 O ATOM 846 CB GLU A 55 7.614 -8.244 7.510 1.00 0.00 C ATOM 847 CG GLU A 55 6.777 -9.517 7.317 1.00 0.00 C ATOM 848 CD GLU A 55 7.424 -10.676 8.069 1.00 0.00 C ATOM 849 OE1 GLU A 55 8.245 -11.357 7.475 1.00 0.00 O ATOM 850 OE2 GLU A 55 7.087 -10.869 9.226 1.00 0.00 O ATOM 0 H GLU A 55 5.145 -7.654 7.594 1.00 0.00 H new ATOM 0 HA GLU A 55 7.553 -6.163 6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.630 -8.411 7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.685 -8.006 8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.762 -9.356 7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.701 -9.756 6.256 1.00 0.00 H new ATOM 857 N GLU A 56 5.958 -7.998 4.743 1.00 0.00 N ATOM 858 CA GLU A 56 5.875 -8.337 3.321 1.00 0.00 C ATOM 859 C GLU A 56 5.517 -7.104 2.487 1.00 0.00 C ATOM 860 O GLU A 56 6.206 -6.780 1.518 1.00 0.00 O ATOM 861 CB GLU A 56 4.818 -9.422 3.092 1.00 0.00 C ATOM 862 CG GLU A 56 4.953 -9.983 1.673 1.00 0.00 C ATOM 863 CD GLU A 56 3.744 -10.857 1.352 1.00 0.00 C ATOM 864 OE1 GLU A 56 2.711 -10.304 1.008 1.00 0.00 O ATOM 865 OE2 GLU A 56 3.868 -12.066 1.454 1.00 0.00 O ATOM 0 H GLU A 56 5.152 -8.291 5.296 1.00 0.00 H new ATOM 0 HA GLU A 56 6.852 -8.707 3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.940 -10.222 3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.820 -9.007 3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.026 -9.167 0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.870 -10.567 1.587 1.00 0.00 H new ATOM 872 N LEU A 57 4.430 -6.426 2.872 1.00 0.00 N ATOM 873 CA LEU A 57 3.985 -5.230 2.148 1.00 0.00 C ATOM 874 C LEU A 57 5.039 -4.114 2.212 1.00 0.00 C ATOM 875 O LEU A 57 5.107 -3.274 1.315 1.00 0.00 O ATOM 876 CB LEU A 57 2.643 -4.724 2.714 1.00 0.00 C ATOM 877 CG LEU A 57 2.655 -3.330 3.362 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.219 -2.818 3.495 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.296 -3.411 4.752 1.00 0.00 C ATOM 0 H LEU A 57 3.849 -6.681 3.670 1.00 0.00 H new ATOM 0 HA LEU A 57 3.847 -5.507 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.912 -4.718 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.293 -5.442 3.455 1.00 0.00 H new ATOM 0 HG LEU A 57 3.231 -2.648 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.226 -1.830 3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.762 -2.756 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.645 -3.503 4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.303 -2.421 5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.723 -4.095 5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.319 -3.775 4.660 1.00 0.00 H new ATOM 891 N GLN A 58 5.852 -4.112 3.278 1.00 0.00 N ATOM 892 CA GLN A 58 6.891 -3.087 3.442 1.00 0.00 C ATOM 893 C GLN A 58 7.792 -3.014 2.207 1.00 0.00 C ATOM 894 O GLN A 58 8.134 -1.926 1.742 1.00 0.00 O ATOM 895 CB GLN A 58 7.759 -3.378 4.673 1.00 0.00 C ATOM 896 CG GLN A 58 7.770 -2.155 5.596 1.00 0.00 C ATOM 897 CD GLN A 58 8.371 -0.958 4.861 1.00 0.00 C ATOM 898 OE1 GLN A 58 9.589 -0.777 4.848 1.00 0.00 O ATOM 899 NE2 GLN A 58 7.582 -0.120 4.240 1.00 0.00 N ATOM 0 H GLN A 58 5.811 -4.800 4.030 1.00 0.00 H new ATOM 0 HA GLN A 58 6.383 -2.132 3.574 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.371 -4.245 5.207 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.775 -3.622 4.364 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.755 -1.923 5.919 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.349 -2.371 6.494 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.573 -0.268 4.249 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.976 0.681 3.747 1.00 0.00 H new ATOM 908 N GLU A 59 8.166 -4.181 1.677 1.00 0.00 N ATOM 909 CA GLU A 59 9.017 -4.232 0.489 1.00 0.00 C ATOM 910 C GLU A 59 8.311 -3.580 -0.697 1.00 0.00 C ATOM 911 O GLU A 59 8.913 -2.802 -1.437 1.00 0.00 O ATOM 912 CB GLU A 59 9.362 -5.680 0.133 1.00 0.00 C ATOM 913 CG GLU A 59 10.757 -6.020 0.662 1.00 0.00 C ATOM 914 CD GLU A 59 11.803 -5.586 -0.358 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.242 -4.449 -0.281 1.00 0.00 O ATOM 916 OE2 GLU A 59 12.148 -6.394 -1.205 1.00 0.00 O ATOM 0 H GLU A 59 7.896 -5.092 2.047 1.00 0.00 H new ATOM 0 HA GLU A 59 9.936 -3.689 0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.624 -6.357 0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.328 -5.817 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.930 -5.517 1.614 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.837 -7.091 0.848 1.00 0.00 H new ATOM 923 N MET A 60 7.023 -3.898 -0.856 1.00 0.00 N ATOM 924 CA MET A 60 6.227 -3.333 -1.947 1.00 0.00 C ATOM 925 C MET A 60 6.176 -1.806 -1.844 1.00 0.00 C ATOM 926 O MET A 60 6.238 -1.111 -2.856 1.00 0.00 O ATOM 927 CB MET A 60 4.799 -3.887 -1.912 1.00 0.00 C ATOM 928 CG MET A 60 4.817 -5.372 -2.284 1.00 0.00 C ATOM 929 SD MET A 60 3.207 -5.844 -2.964 1.00 0.00 S ATOM 930 CE MET A 60 2.282 -5.825 -1.409 1.00 0.00 C ATOM 0 H MET A 60 6.513 -4.539 -0.248 1.00 0.00 H new ATOM 0 HA MET A 60 6.702 -3.614 -2.887 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.371 -3.756 -0.918 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.166 -3.335 -2.607 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.603 -5.565 -3.014 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.043 -5.975 -1.405 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.261 -6.161 -1.589 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.762 -6.491 -0.692 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.265 -4.812 -1.008 1.00 0.00 H new ATOM 940 N ILE A 61 6.068 -1.299 -0.608 1.00 0.00 N ATOM 941 CA ILE A 61 6.014 0.145 -0.367 1.00 0.00 C ATOM 942 C ILE A 61 7.186 0.855 -1.050 1.00 0.00 C ATOM 943 O ILE A 61 7.000 1.564 -2.037 1.00 0.00 O ATOM 944 CB ILE A 61 6.056 0.427 1.146 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.768 -0.084 1.815 1.00 0.00 C ATOM 946 CG2 ILE A 61 6.208 1.928 1.393 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.543 0.299 0.981 1.00 0.00 C ATOM 0 H ILE A 61 6.017 -1.868 0.237 1.00 0.00 H new ATOM 0 HA ILE A 61 5.082 0.526 -0.785 1.00 0.00 H new ATOM 0 HB ILE A 61 6.910 -0.094 1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.815 -1.167 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.680 0.337 2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.237 2.119 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.133 2.280 0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.362 2.457 0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.641 -0.070 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.489 1.384 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.626 -0.144 -0.012 1.00 0.00 H new ATOM 959 N ASP A 62 8.391 0.654 -0.510 1.00 0.00 N ATOM 960 CA ASP A 62 9.597 1.279 -1.069 1.00 0.00 C ATOM 961 C ASP A 62 9.775 0.930 -2.552 1.00 0.00 C ATOM 962 O ASP A 62 10.278 1.741 -3.331 1.00 0.00 O ATOM 963 CB ASP A 62 10.842 0.811 -0.305 1.00 0.00 C ATOM 964 CG ASP A 62 11.983 1.799 -0.527 1.00 0.00 C ATOM 965 OD1 ASP A 62 12.027 2.792 0.182 1.00 0.00 O ATOM 966 OD2 ASP A 62 12.795 1.550 -1.403 1.00 0.00 O ATOM 0 H ASP A 62 8.559 0.068 0.308 1.00 0.00 H new ATOM 0 HA ASP A 62 9.477 2.358 -0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.619 0.731 0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.137 -0.182 -0.644 1.00 0.00 H new ATOM 971 N GLU A 63 9.366 -0.287 -2.928 1.00 0.00 N ATOM 972 CA GLU A 63 9.497 -0.743 -4.317 1.00 0.00 C ATOM 973 C GLU A 63 8.671 0.113 -5.284 1.00 0.00 C ATOM 974 O GLU A 63 9.117 0.408 -6.394 1.00 0.00 O ATOM 975 CB GLU A 63 9.044 -2.202 -4.443 1.00 0.00 C ATOM 976 CG GLU A 63 10.223 -3.133 -4.145 1.00 0.00 C ATOM 977 CD GLU A 63 9.771 -4.586 -4.259 1.00 0.00 C ATOM 978 OE1 GLU A 63 9.301 -5.121 -3.268 1.00 0.00 O ATOM 979 OE2 GLU A 63 9.899 -5.142 -5.338 1.00 0.00 O ATOM 0 H GLU A 63 8.945 -0.969 -2.297 1.00 0.00 H new ATOM 0 HA GLU A 63 10.550 -0.649 -4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.226 -2.401 -3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.664 -2.390 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.037 -2.939 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.608 -2.939 -3.144 1.00 0.00 H new ATOM 986 N VAL A 64 7.458 0.489 -4.867 1.00 0.00 N ATOM 987 CA VAL A 64 6.576 1.289 -5.729 1.00 0.00 C ATOM 988 C VAL A 64 6.665 2.791 -5.431 1.00 0.00 C ATOM 989 O VAL A 64 6.271 3.609 -6.265 1.00 0.00 O ATOM 990 CB VAL A 64 5.117 0.842 -5.577 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.014 -0.669 -5.804 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.611 1.186 -4.170 1.00 0.00 C ATOM 0 H VAL A 64 7.067 0.258 -3.954 1.00 0.00 H new ATOM 0 HA VAL A 64 6.917 1.122 -6.751 1.00 0.00 H new ATOM 0 HB VAL A 64 4.506 1.361 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.976 -0.983 -5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.363 -0.911 -6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.630 -1.190 -5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.574 0.866 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.223 0.674 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.676 2.263 -4.013 1.00 0.00 H new ATOM 1002 N ASP A 65 7.167 3.153 -4.242 1.00 0.00 N ATOM 1003 CA ASP A 65 7.274 4.566 -3.876 1.00 0.00 C ATOM 1004 C ASP A 65 8.376 5.242 -4.691 1.00 0.00 C ATOM 1005 O ASP A 65 9.526 5.351 -4.255 1.00 0.00 O ATOM 1006 CB ASP A 65 7.562 4.731 -2.376 1.00 0.00 C ATOM 1007 CG ASP A 65 6.740 5.894 -1.820 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.876 6.996 -2.330 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.981 5.665 -0.891 1.00 0.00 O ATOM 0 H ASP A 65 7.498 2.500 -3.532 1.00 0.00 H new ATOM 0 HA ASP A 65 6.318 5.042 -4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.315 3.812 -1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.625 4.915 -2.218 1.00 0.00 H new ATOM 1014 N GLU A 66 8.000 5.691 -5.890 1.00 0.00 N ATOM 1015 CA GLU A 66 8.940 6.359 -6.795 1.00 0.00 C ATOM 1016 C GLU A 66 9.417 7.689 -6.207 1.00 0.00 C ATOM 1017 O GLU A 66 10.543 8.121 -6.462 1.00 0.00 O ATOM 1018 CB GLU A 66 8.281 6.625 -8.151 1.00 0.00 C ATOM 1019 CG GLU A 66 8.285 5.341 -8.987 1.00 0.00 C ATOM 1020 CD GLU A 66 9.610 5.220 -9.736 1.00 0.00 C ATOM 1021 OE1 GLU A 66 9.715 5.788 -10.812 1.00 0.00 O ATOM 1022 OE2 GLU A 66 10.500 4.560 -9.224 1.00 0.00 O ATOM 0 H GLU A 66 7.052 5.605 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 66 9.796 5.697 -6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.258 6.974 -8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.816 7.415 -8.678 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.140 4.475 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.456 5.353 -9.694 1.00 0.00 H new ATOM 1029 N ASP A 67 8.550 8.335 -5.420 1.00 0.00 N ATOM 1030 CA ASP A 67 8.898 9.617 -4.804 1.00 0.00 C ATOM 1031 C ASP A 67 9.738 9.397 -3.545 1.00 0.00 C ATOM 1032 O ASP A 67 10.715 10.108 -3.307 1.00 0.00 O ATOM 1033 CB ASP A 67 7.637 10.404 -4.415 1.00 0.00 C ATOM 1034 CG ASP A 67 6.658 10.460 -5.590 1.00 0.00 C ATOM 1035 OD1 ASP A 67 7.039 10.961 -6.636 1.00 0.00 O ATOM 1036 OD2 ASP A 67 5.537 10.005 -5.422 1.00 0.00 O ATOM 0 H ASP A 67 7.614 7.996 -5.197 1.00 0.00 H new ATOM 0 HA ASP A 67 9.468 10.185 -5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.158 9.934 -3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.911 11.415 -4.113 1.00 0.00 H new ATOM 1041 N GLY A 68 9.333 8.414 -2.735 1.00 0.00 N ATOM 1042 CA GLY A 68 10.038 8.113 -1.490 1.00 0.00 C ATOM 1043 C GLY A 68 9.677 9.140 -0.418 1.00 0.00 C ATOM 1044 O GLY A 68 10.517 9.535 0.393 1.00 0.00 O ATOM 0 H GLY A 68 8.526 7.818 -2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.776 7.112 -1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.114 8.119 -1.662 1.00 0.00 H new ATOM 1048 N SER A 69 8.412 9.574 -0.436 1.00 0.00 N ATOM 1049 CA SER A 69 7.926 10.565 0.519 1.00 0.00 C ATOM 1050 C SER A 69 7.335 9.891 1.758 1.00 0.00 C ATOM 1051 O SER A 69 7.737 10.180 2.887 1.00 0.00 O ATOM 1052 CB SER A 69 6.854 11.446 -0.134 1.00 0.00 C ATOM 1053 OG SER A 69 5.884 10.621 -0.778 1.00 0.00 O ATOM 0 H SER A 69 7.710 9.252 -1.102 1.00 0.00 H new ATOM 0 HA SER A 69 8.774 11.179 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.373 12.070 0.619 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.313 12.118 -0.859 1.00 0.00 H new ATOM 0 HG SER A 69 5.199 11.185 -1.193 1.00 0.00 H new ATOM 1059 N GLY A 70 6.371 8.995 1.530 1.00 0.00 N ATOM 1060 CA GLY A 70 5.713 8.284 2.629 1.00 0.00 C ATOM 1061 C GLY A 70 4.282 7.886 2.253 1.00 0.00 C ATOM 1062 O GLY A 70 3.726 6.941 2.811 1.00 0.00 O ATOM 0 H GLY A 70 6.031 8.746 0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.286 7.393 2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.696 8.917 3.516 1.00 0.00 H new ATOM 1066 N THR A 71 3.694 8.623 1.302 1.00 0.00 N ATOM 1067 CA THR A 71 2.331 8.345 0.851 1.00 0.00 C ATOM 1068 C THR A 71 2.358 7.616 -0.492 1.00 0.00 C ATOM 1069 O THR A 71 3.288 7.786 -1.284 1.00 0.00 O ATOM 1070 CB THR A 71 1.544 9.652 0.689 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.218 10.498 -0.238 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.437 10.357 2.043 1.00 0.00 C ATOM 0 H THR A 71 4.141 9.412 0.834 1.00 0.00 H new ATOM 0 HA THR A 71 1.847 7.719 1.600 1.00 0.00 H new ATOM 0 HB THR A 71 0.543 9.431 0.318 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.560 10.951 -0.806 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.878 11.285 1.927 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.921 9.709 2.751 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.436 10.580 2.417 1.00 0.00 H new ATOM 1080 N VAL A 72 1.323 6.811 -0.742 1.00 0.00 N ATOM 1081 CA VAL A 72 1.232 6.070 -1.997 1.00 0.00 C ATOM 1082 C VAL A 72 0.239 6.748 -2.932 1.00 0.00 C ATOM 1083 O VAL A 72 -0.952 6.835 -2.633 1.00 0.00 O ATOM 1084 CB VAL A 72 0.768 4.631 -1.758 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.823 3.853 -3.076 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.681 3.958 -0.734 1.00 0.00 C ATOM 0 H VAL A 72 0.546 6.658 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 72 2.226 6.056 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.254 4.640 -1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.493 2.828 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.170 4.329 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.846 3.847 -3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.347 2.934 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.704 3.950 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.643 4.510 0.205 1.00 0.00 H new ATOM 1096 N ASP A 73 0.739 7.211 -4.074 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.120 7.865 -5.057 1.00 0.00 C ATOM 1098 C ASP A 73 -0.767 6.813 -5.953 1.00 0.00 C ATOM 1099 O ASP A 73 -0.463 5.624 -5.846 1.00 0.00 O ATOM 1100 CB ASP A 73 0.687 8.843 -5.919 1.00 0.00 C ATOM 1101 CG ASP A 73 1.331 9.902 -5.027 1.00 0.00 C ATOM 1102 OD1 ASP A 73 0.674 10.890 -4.743 1.00 0.00 O ATOM 1103 OD2 ASP A 73 2.472 9.707 -4.637 1.00 0.00 O ATOM 0 H ASP A 73 1.722 7.147 -4.340 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.891 8.423 -4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.455 8.305 -6.475 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.037 9.318 -6.653 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.662 7.256 -6.834 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.343 6.331 -7.740 1.00 0.00 C ATOM 1110 C PHE A 74 -1.333 5.657 -8.673 1.00 0.00 C ATOM 1111 O PHE A 74 -1.484 4.486 -9.020 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.401 7.070 -8.568 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.353 6.080 -9.203 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.730 4.915 -8.518 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.862 6.333 -10.481 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.610 4.008 -9.114 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.743 5.425 -11.075 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.116 4.262 -10.393 1.00 0.00 C ATOM 0 H PHE A 74 -1.930 8.234 -6.940 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.836 5.567 -7.139 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.954 7.761 -7.932 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.917 7.667 -9.341 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.340 4.719 -7.530 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.574 7.230 -11.009 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.900 3.111 -8.587 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.136 5.621 -12.062 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.795 3.560 -10.854 1.00 0.00 H new ATOM 1128 N ASP A 75 -0.290 6.402 -9.055 1.00 0.00 N ATOM 1129 CA ASP A 75 0.750 5.858 -9.928 1.00 0.00 C ATOM 1130 C ASP A 75 1.556 4.788 -9.190 1.00 0.00 C ATOM 1131 O ASP A 75 1.919 3.765 -9.769 1.00 0.00 O ATOM 1132 CB ASP A 75 1.697 6.967 -10.394 1.00 0.00 C ATOM 1133 CG ASP A 75 1.146 7.605 -11.665 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.332 8.508 -11.548 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.545 7.182 -12.738 1.00 0.00 O ATOM 0 H ASP A 75 -0.146 7.372 -8.776 1.00 0.00 H new ATOM 0 HA ASP A 75 0.263 5.414 -10.796 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.804 7.720 -9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.690 6.558 -10.581 1.00 0.00 H new ATOM 1140 N GLU A 76 1.812 5.031 -7.899 1.00 0.00 N ATOM 1141 CA GLU A 76 2.562 4.076 -7.071 1.00 0.00 C ATOM 1142 C GLU A 76 1.652 2.917 -6.640 1.00 0.00 C ATOM 1143 O GLU A 76 2.123 1.831 -6.299 1.00 0.00 O ATOM 1144 CB GLU A 76 3.120 4.762 -5.817 1.00 0.00 C ATOM 1145 CG GLU A 76 3.615 6.173 -6.163 1.00 0.00 C ATOM 1146 CD GLU A 76 4.377 6.765 -4.977 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.793 6.873 -3.913 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.534 7.108 -5.152 1.00 0.00 O ATOM 0 H GLU A 76 1.514 5.873 -7.407 1.00 0.00 H new ATOM 0 HA GLU A 76 3.389 3.693 -7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.348 4.817 -5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.938 4.172 -5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.262 6.136 -7.039 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.769 6.812 -6.418 1.00 0.00 H new ATOM 1155 N PHE A 77 0.341 3.173 -6.661 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.653 2.173 -6.277 1.00 0.00 C ATOM 1157 C PHE A 77 -0.857 1.144 -7.397 1.00 0.00 C ATOM 1158 O PHE A 77 -0.975 -0.054 -7.135 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.985 2.878 -5.972 1.00 0.00 C ATOM 1160 CG PHE A 77 -3.047 1.876 -5.582 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -3.073 1.343 -4.287 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -4.011 1.489 -6.520 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -4.066 0.421 -3.933 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -5.003 0.568 -6.165 1.00 0.00 C ATOM 1165 CZ PHE A 77 -5.030 0.034 -4.872 1.00 0.00 C ATOM 0 H PHE A 77 -0.056 4.070 -6.942 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.297 1.646 -5.391 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.844 3.598 -5.165 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.313 3.440 -6.847 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.329 1.642 -3.563 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.989 1.901 -7.518 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.088 0.008 -2.935 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.747 0.270 -6.889 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.795 -0.677 -4.598 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.911 1.624 -8.644 1.00 0.00 N ATOM 1176 CA LEU A 78 -1.116 0.737 -9.793 1.00 0.00 C ATOM 1177 C LEU A 78 0.152 -0.037 -10.158 1.00 0.00 C ATOM 1178 O LEU A 78 0.079 -1.201 -10.557 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.562 1.547 -11.008 1.00 0.00 C ATOM 1180 CG LEU A 78 -3.000 2.060 -10.942 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -3.056 3.495 -11.466 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.898 1.162 -11.795 1.00 0.00 C ATOM 0 H LEU A 78 -0.817 2.611 -8.882 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.886 0.020 -9.508 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.892 2.399 -11.125 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.452 0.930 -11.899 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.347 2.042 -9.909 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.082 3.860 -11.419 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.416 4.131 -10.854 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.710 3.519 -12.499 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.925 1.526 -11.750 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.552 1.178 -12.829 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.858 0.141 -11.415 1.00 0.00 H new ATOM 1194 N VAL A 79 1.312 0.617 -10.028 1.00 0.00 N ATOM 1195 CA VAL A 79 2.588 -0.033 -10.362 1.00 0.00 C ATOM 1196 C VAL A 79 2.798 -1.305 -9.542 1.00 0.00 C ATOM 1197 O VAL A 79 3.475 -2.222 -9.990 1.00 0.00 O ATOM 1198 CB VAL A 79 3.785 0.898 -10.131 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.797 1.993 -11.200 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.701 1.532 -8.740 1.00 0.00 C ATOM 0 H VAL A 79 1.396 1.579 -9.700 1.00 0.00 H new ATOM 0 HA VAL A 79 2.530 -0.284 -11.421 1.00 0.00 H new ATOM 0 HB VAL A 79 4.705 0.317 -10.197 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.648 2.654 -11.035 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.878 1.537 -12.187 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.874 2.569 -11.141 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.556 2.191 -8.588 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.780 2.109 -8.658 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.707 0.749 -7.982 1.00 0.00 H new ATOM 1210 N MET A 80 2.215 -1.346 -8.339 1.00 0.00 N ATOM 1211 CA MET A 80 2.344 -2.516 -7.458 1.00 0.00 C ATOM 1212 C MET A 80 2.158 -3.836 -8.221 1.00 0.00 C ATOM 1213 O MET A 80 2.792 -4.842 -7.898 1.00 0.00 O ATOM 1214 CB MET A 80 1.301 -2.448 -6.337 1.00 0.00 C ATOM 1215 CG MET A 80 1.938 -1.881 -5.068 1.00 0.00 C ATOM 1216 SD MET A 80 0.916 -2.312 -3.637 1.00 0.00 S ATOM 1217 CE MET A 80 -0.478 -1.217 -4.006 1.00 0.00 C ATOM 0 H MET A 80 1.652 -0.588 -7.953 1.00 0.00 H new ATOM 0 HA MET A 80 3.352 -2.494 -7.045 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.464 -1.822 -6.645 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.900 -3.442 -6.140 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.944 -2.281 -4.943 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.033 -0.798 -5.148 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.290 -1.414 -3.306 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.160 -0.179 -3.910 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.824 -1.398 -5.024 1.00 0.00 H new ATOM 1227 N MET A 81 1.278 -3.827 -9.230 1.00 0.00 N ATOM 1228 CA MET A 81 1.019 -5.034 -10.021 1.00 0.00 C ATOM 1229 C MET A 81 2.099 -5.254 -11.089 1.00 0.00 C ATOM 1230 O MET A 81 2.617 -6.362 -11.240 1.00 0.00 O ATOM 1231 CB MET A 81 -0.347 -4.938 -10.711 1.00 0.00 C ATOM 1232 CG MET A 81 -1.460 -5.193 -9.691 1.00 0.00 C ATOM 1233 SD MET A 81 -1.559 -6.966 -9.334 1.00 0.00 S ATOM 1234 CE MET A 81 -2.127 -6.826 -7.620 1.00 0.00 C ATOM 0 H MET A 81 0.740 -3.008 -9.515 1.00 0.00 H new ATOM 0 HA MET A 81 1.031 -5.878 -9.332 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.470 -3.952 -11.159 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.408 -5.666 -11.520 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.262 -4.637 -8.774 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.413 -4.836 -10.080 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.256 -7.822 -7.197 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.389 -6.277 -7.036 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.078 -6.295 -7.594 1.00 0.00 H new ATOM 1244 N VAL A 82 2.412 -4.194 -11.843 1.00 0.00 N ATOM 1245 CA VAL A 82 3.414 -4.285 -12.920 1.00 0.00 C ATOM 1246 C VAL A 82 4.850 -4.373 -12.383 1.00 0.00 C ATOM 1247 O VAL A 82 5.719 -4.960 -13.031 1.00 0.00 O ATOM 1248 CB VAL A 82 3.312 -3.081 -13.869 1.00 0.00 C ATOM 1249 CG1 VAL A 82 1.993 -3.148 -14.645 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.362 -1.777 -13.071 1.00 0.00 C ATOM 0 H VAL A 82 1.993 -3.271 -11.732 1.00 0.00 H new ATOM 0 HA VAL A 82 3.193 -5.205 -13.461 1.00 0.00 H new ATOM 0 HB VAL A 82 4.150 -3.109 -14.565 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.923 -2.293 -15.318 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.959 -4.070 -15.225 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.158 -3.129 -13.945 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.289 -0.930 -13.753 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.530 -1.749 -12.367 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.303 -1.722 -12.523 1.00 0.00 H new ATOM 1260 N ARG A 83 5.098 -3.787 -11.203 1.00 0.00 N ATOM 1261 CA ARG A 83 6.443 -3.817 -10.610 1.00 0.00 C ATOM 1262 C ARG A 83 6.855 -5.248 -10.248 1.00 0.00 C ATOM 1263 O ARG A 83 8.045 -5.549 -10.148 1.00 0.00 O ATOM 1264 CB ARG A 83 6.513 -2.936 -9.352 1.00 0.00 C ATOM 1265 CG ARG A 83 5.537 -3.452 -8.288 1.00 0.00 C ATOM 1266 CD ARG A 83 6.288 -4.310 -7.266 1.00 0.00 C ATOM 1267 NE ARG A 83 5.503 -5.495 -6.908 1.00 0.00 N ATOM 1268 CZ ARG A 83 5.894 -6.336 -5.941 1.00 0.00 C ATOM 1269 NH1 ARG A 83 7.012 -6.131 -5.285 1.00 0.00 N ATOM 1270 NH2 ARG A 83 5.153 -7.374 -5.649 1.00 0.00 N ATOM 0 H ARG A 83 4.398 -3.294 -10.648 1.00 0.00 H new ATOM 0 HA ARG A 83 7.133 -3.426 -11.358 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.528 -2.936 -8.955 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.271 -1.904 -9.608 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.054 -2.613 -7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.748 -4.039 -8.759 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.250 -4.616 -7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.496 -3.722 -6.372 1.00 0.00 H new ATOM 0 HE ARG A 83 4.635 -5.685 -7.409 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.594 -5.324 -5.509 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.299 -6.779 -4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.284 -7.539 -6.156 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.445 -8.018 -4.914 1.00 0.00 H new ATOM 1284 N CYS A 84 5.862 -6.129 -10.070 1.00 0.00 N ATOM 1285 CA CYS A 84 6.142 -7.528 -9.739 1.00 0.00 C ATOM 1286 C CYS A 84 6.782 -8.232 -10.938 1.00 0.00 C ATOM 1287 O CYS A 84 7.602 -9.138 -10.777 1.00 0.00 O ATOM 1288 CB CYS A 84 4.854 -8.261 -9.352 1.00 0.00 C ATOM 1289 SG CYS A 84 5.263 -9.709 -8.345 1.00 0.00 S ATOM 0 H CYS A 84 4.871 -5.900 -10.149 1.00 0.00 H new ATOM 0 HA CYS A 84 6.829 -7.547 -8.893 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.195 -7.593 -8.797 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.315 -8.568 -10.248 1.00 0.00 H new ATOM 0 HG CYS A 84 4.170 -10.330 -8.014 1.00 0.00 H new