USER MOD reduce.3.24.130724 H: found=0, std=0, add=1019, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1021 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 46:sc= 0.931 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -153:sc= 0.192 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -120:sc= -0.411 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 110:sc= -0.265 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 29:sc= 0.415 USER MOD Single : A 31 THR OG1 : rot -94:sc= 0.186 USER MOD Single : A 32 THR OG1 : rot -119:sc= -1.05 USER MOD Single : A 33 GLN : amide:sc= -2.66! C(o=-2.7!,f=-3.2!) USER MOD Single : A 37 GLN : amide:sc= -0.841 K(o=-0.84,f=-0.016) USER MOD Single : A 40 THR OG1 : rot -74:sc= -0.571 USER MOD Single : A 41 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=-0.005) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -6.63! C(o=-6.6!,f=-7.3!) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 1.16 K(o=1.2,f=-0.12) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 7:sc= 0.502 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -11.3! C(o=-11!,f=-9.7!) USER MOD Single : A 77 LYS NZ :NH3+ -173:sc= 0.201 (180deg=0.185) USER MOD Single : A 81 LYS NZ :NH3+ -158:sc= -0.0802 (180deg=-0.413) USER MOD Single : A 82 SER OG : rot 180:sc=-0.00694 USER MOD Single : A 87 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.4) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -3.81! USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 98 LYS NZ :NH3+ 148:sc= 0.589 (180deg=0.136) USER MOD Single : A 99 ASN : amide:sc= 0.512 K(o=0.51,f=0) USER MOD Single : A 102 THR OG1 : rot 56:sc= 0.371 USER MOD Single : A 105 CYS SG : rot 180:sc= -0.174 USER MOD Single : A 106 MET CE :methyl 173:sc= -2.48 (180deg=-2.61) USER MOD Single : A 119 THR OG1 : rot 81:sc= 0.937 USER MOD Single : A 121 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.2) USER MOD Single : A 124 GLN : amide:sc= -7.29! C(o=-7.3!,f=-13!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 167:sc= 0.0294 (180deg=-0.0717) USER MOD Single : A 133 GLN : amide:sc= -0.475 X(o=-0.47,f=0) USER MOD Single : A 134 THR OG1 : rot 110:sc= -0.935 USER MOD Single : A 137 TYR OH : rot 50:sc= -0.0882 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 19.824 0.031 5.738 1.00 0.00 N ATOM 67 CA ILE A 8 18.780 -0.940 6.042 1.00 0.00 C ATOM 68 C ILE A 8 18.263 -1.608 4.773 1.00 0.00 C ATOM 69 O ILE A 8 18.063 -0.966 3.741 1.00 0.00 O ATOM 70 CB ILE A 8 17.599 -0.283 6.781 1.00 0.00 C ATOM 71 CG1 ILE A 8 17.783 -0.408 8.295 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.285 -0.917 6.347 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.487 -0.319 9.070 1.00 0.00 C ATOM 0 HA ILE A 8 19.229 -1.694 6.689 1.00 0.00 H new ATOM 0 HB ILE A 8 17.572 0.776 6.524 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.265 -1.360 8.517 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.456 0.378 8.637 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.459 -0.443 6.878 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.152 -0.781 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.301 -1.982 6.579 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.693 -0.415 10.136 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.013 0.644 8.878 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.819 -1.121 8.756 1.00 0.00 H new ATOM 85 N PRO A 9 18.039 -2.928 4.848 1.00 0.00 N ATOM 86 CA PRO A 9 17.540 -3.712 3.714 1.00 0.00 C ATOM 87 C PRO A 9 16.038 -3.545 3.510 1.00 0.00 C ATOM 88 O PRO A 9 15.289 -3.349 4.468 1.00 0.00 O ATOM 89 CB PRO A 9 17.869 -5.154 4.108 1.00 0.00 C ATOM 90 CG PRO A 9 17.868 -5.150 5.598 1.00 0.00 C ATOM 91 CD PRO A 9 18.256 -3.757 6.045 1.00 0.00 C ATOM 0 HA PRO A 9 17.991 -3.399 2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.129 -5.851 3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.838 -5.461 3.714 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.883 -5.416 5.982 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.571 -5.887 5.985 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.643 -3.420 6.881 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.294 -3.718 6.375 1.00 0.00 H new ATOM 99 N THR A 10 15.603 -3.623 2.256 1.00 0.00 N ATOM 100 CA THR A 10 14.191 -3.480 1.927 1.00 0.00 C ATOM 101 C THR A 10 13.778 -4.463 0.838 1.00 0.00 C ATOM 102 O THR A 10 14.606 -5.211 0.318 1.00 0.00 O ATOM 103 CB THR A 10 13.865 -2.048 1.460 1.00 0.00 C ATOM 104 OG1 THR A 10 14.629 -1.728 0.292 1.00 0.00 O ATOM 105 CG2 THR A 10 14.164 -1.040 2.559 1.00 0.00 C ATOM 0 H THR A 10 16.209 -3.785 1.452 1.00 0.00 H new ATOM 0 HA THR A 10 13.631 -3.694 2.838 1.00 0.00 H new ATOM 0 HB THR A 10 12.802 -1.999 1.223 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.415 -0.817 0.000 1.00 0.00 H new ATOM 0 HG21 THR A 10 13.926 -0.036 2.207 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.560 -1.269 3.437 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.221 -1.091 2.822 1.00 0.00 H new ATOM 113 N CYS A 11 12.494 -4.456 0.498 1.00 0.00 N ATOM 114 CA CYS A 11 11.971 -5.349 -0.530 1.00 0.00 C ATOM 115 C CYS A 11 10.754 -4.735 -1.216 1.00 0.00 C ATOM 116 O CYS A 11 10.274 -3.673 -0.819 1.00 0.00 O ATOM 117 CB CYS A 11 11.599 -6.701 0.080 1.00 0.00 C ATOM 118 SG CYS A 11 11.771 -8.097 -1.057 1.00 0.00 S ATOM 0 H CYS A 11 11.796 -3.842 0.919 1.00 0.00 H new ATOM 0 HA CYS A 11 12.750 -5.498 -1.277 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.226 -6.878 0.953 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.568 -6.658 0.432 1.00 0.00 H new ATOM 0 HG CYS A 11 10.952 -9.045 -0.708 1.00 0.00 H new ATOM 124 N LYS A 12 10.261 -5.409 -2.250 1.00 0.00 N ATOM 125 CA LYS A 12 9.101 -4.931 -2.992 1.00 0.00 C ATOM 126 C LYS A 12 7.823 -5.598 -2.494 1.00 0.00 C ATOM 127 O LYS A 12 7.831 -6.771 -2.119 1.00 0.00 O ATOM 128 CB LYS A 12 9.281 -5.201 -4.488 1.00 0.00 C ATOM 129 CG LYS A 12 8.039 -4.909 -5.312 1.00 0.00 C ATOM 130 CD LYS A 12 8.370 -4.763 -6.788 1.00 0.00 C ATOM 131 CE LYS A 12 8.993 -3.409 -7.088 1.00 0.00 C ATOM 132 NZ LYS A 12 9.725 -3.410 -8.385 1.00 0.00 N ATOM 0 H LYS A 12 10.647 -6.288 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 12 9.015 -3.857 -2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.106 -4.594 -4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.564 -6.244 -4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.315 -5.713 -5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.569 -3.994 -4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.056 -5.555 -7.088 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.463 -4.886 -7.379 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.213 -2.648 -7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.678 -3.139 -6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.135 -2.469 -8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.486 -4.119 -8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.066 -3.643 -9.155 1.00 0.00 H new ATOM 146 N ILE A 13 6.729 -4.845 -2.496 1.00 0.00 N ATOM 147 CA ILE A 13 5.443 -5.366 -2.047 1.00 0.00 C ATOM 148 C ILE A 13 4.353 -5.106 -3.081 1.00 0.00 C ATOM 149 O ILE A 13 3.515 -4.220 -2.908 1.00 0.00 O ATOM 150 CB ILE A 13 5.021 -4.741 -0.704 1.00 0.00 C ATOM 151 CG1 ILE A 13 6.015 -5.121 0.395 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.615 -5.187 -0.331 1.00 0.00 C ATOM 153 CD1 ILE A 13 6.174 -6.615 0.576 1.00 0.00 C ATOM 0 H ILE A 13 6.707 -3.873 -2.803 1.00 0.00 H new ATOM 0 HA ILE A 13 5.566 -6.441 -1.916 1.00 0.00 H new ATOM 0 HB ILE A 13 5.021 -3.656 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.987 -4.686 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.688 -4.682 1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.331 -4.737 0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.916 -4.871 -1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.590 -6.273 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.893 -6.811 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.212 -7.054 0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.531 -7.058 -0.354 1.00 0.00 H new ATOM 165 N THR A 14 4.368 -5.886 -4.158 1.00 0.00 N ATOM 166 CA THR A 14 3.381 -5.741 -5.220 1.00 0.00 C ATOM 167 C THR A 14 2.175 -6.641 -4.977 1.00 0.00 C ATOM 168 O THR A 14 2.300 -7.866 -4.936 1.00 0.00 O ATOM 169 CB THR A 14 3.986 -6.073 -6.598 1.00 0.00 C ATOM 170 OG1 THR A 14 5.272 -5.457 -6.730 1.00 0.00 O ATOM 171 CG2 THR A 14 3.073 -5.597 -7.718 1.00 0.00 C ATOM 0 H THR A 14 5.053 -6.625 -4.317 1.00 0.00 H new ATOM 0 HA THR A 14 3.060 -4.699 -5.213 1.00 0.00 H new ATOM 0 HB THR A 14 4.093 -7.155 -6.672 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.264 -4.843 -7.494 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.521 -5.842 -8.681 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.104 -6.090 -7.632 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.939 -4.518 -7.644 1.00 0.00 H new ATOM 179 N LEU A 15 1.008 -6.028 -4.817 1.00 0.00 N ATOM 180 CA LEU A 15 -0.222 -6.775 -4.578 1.00 0.00 C ATOM 181 C LEU A 15 -1.261 -6.470 -5.652 1.00 0.00 C ATOM 182 O LEU A 15 -1.380 -5.334 -6.113 1.00 0.00 O ATOM 183 CB LEU A 15 -0.786 -6.438 -3.196 1.00 0.00 C ATOM 184 CG LEU A 15 0.216 -6.445 -2.042 1.00 0.00 C ATOM 185 CD1 LEU A 15 -0.197 -5.449 -0.970 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.343 -7.843 -1.454 1.00 0.00 C ATOM 0 H LEU A 15 0.887 -5.016 -4.848 1.00 0.00 H new ATOM 0 HA LEU A 15 0.014 -7.838 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.247 -5.451 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.579 -7.149 -2.966 1.00 0.00 H new ATOM 0 HG LEU A 15 1.190 -6.146 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.528 -5.468 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.235 -4.448 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.181 -5.716 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.061 -7.829 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.628 -8.171 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.687 -8.532 -2.225 1.00 0.00 H new ATOM 198 N LYS A 16 -2.014 -7.491 -6.046 1.00 0.00 N ATOM 199 CA LYS A 16 -3.047 -7.334 -7.063 1.00 0.00 C ATOM 200 C LYS A 16 -4.355 -7.977 -6.615 1.00 0.00 C ATOM 201 O LYS A 16 -4.505 -9.197 -6.660 1.00 0.00 O ATOM 202 CB LYS A 16 -2.588 -7.954 -8.385 1.00 0.00 C ATOM 203 CG LYS A 16 -1.569 -7.111 -9.131 1.00 0.00 C ATOM 204 CD LYS A 16 -1.475 -7.514 -10.593 1.00 0.00 C ATOM 205 CE LYS A 16 -0.519 -8.681 -10.789 1.00 0.00 C ATOM 206 NZ LYS A 16 -0.011 -8.753 -12.187 1.00 0.00 N ATOM 0 H LYS A 16 -1.928 -8.438 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.219 -6.268 -7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.159 -8.936 -8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.457 -8.109 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.844 -6.059 -9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.592 -7.218 -8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.464 -7.787 -10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.138 -6.663 -11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.321 -8.581 -10.102 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.027 -9.612 -10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.637 -9.561 -12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.811 -8.874 -12.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.496 -7.875 -12.418 1.00 0.00 H new ATOM 220 N GLU A 17 -5.300 -7.147 -6.183 1.00 0.00 N ATOM 221 CA GLU A 17 -6.596 -7.636 -5.728 1.00 0.00 C ATOM 222 C GLU A 17 -7.726 -7.041 -6.562 1.00 0.00 C ATOM 223 O GLU A 17 -7.617 -5.925 -7.072 1.00 0.00 O ATOM 224 CB GLU A 17 -6.804 -7.296 -4.250 1.00 0.00 C ATOM 225 CG GLU A 17 -7.680 -8.295 -3.513 1.00 0.00 C ATOM 226 CD GLU A 17 -6.974 -9.612 -3.258 1.00 0.00 C ATOM 227 OE1 GLU A 17 -6.235 -10.072 -4.153 1.00 0.00 O ATOM 228 OE2 GLU A 17 -7.161 -10.183 -2.163 1.00 0.00 O ATOM 0 H GLU A 17 -5.192 -6.134 -6.139 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.610 -8.719 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.833 -7.244 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.253 -6.306 -4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.994 -7.865 -2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.584 -8.478 -4.094 1.00 0.00 H new ATOM 235 N THR A 18 -8.814 -7.794 -6.698 1.00 0.00 N ATOM 236 CA THR A 18 -9.964 -7.342 -7.471 1.00 0.00 C ATOM 237 C THR A 18 -11.098 -6.893 -6.557 1.00 0.00 C ATOM 238 O THR A 18 -11.413 -7.557 -5.569 1.00 0.00 O ATOM 239 CB THR A 18 -10.482 -8.451 -8.406 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.426 -8.902 -9.263 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.645 -7.949 -9.248 1.00 0.00 C ATOM 0 H THR A 18 -8.922 -8.719 -6.283 1.00 0.00 H new ATOM 0 HA THR A 18 -9.629 -6.497 -8.072 1.00 0.00 H new ATOM 0 HB THR A 18 -10.830 -9.281 -7.791 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.763 -9.608 -9.853 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.994 -8.749 -9.900 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.458 -7.633 -8.594 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.318 -7.104 -9.854 1.00 0.00 H new ATOM 249 N PHE A 19 -11.710 -5.763 -6.894 1.00 0.00 N ATOM 250 CA PHE A 19 -12.811 -5.224 -6.103 1.00 0.00 C ATOM 251 C PHE A 19 -14.115 -5.255 -6.894 1.00 0.00 C ATOM 252 O PHE A 19 -14.129 -5.002 -8.100 1.00 0.00 O ATOM 253 CB PHE A 19 -12.500 -3.791 -5.666 1.00 0.00 C ATOM 254 CG PHE A 19 -11.385 -3.699 -4.663 1.00 0.00 C ATOM 255 CD1 PHE A 19 -10.062 -3.772 -5.069 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.661 -3.539 -3.315 1.00 0.00 C ATOM 257 CE1 PHE A 19 -9.035 -3.688 -4.148 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.638 -3.454 -2.389 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.323 -3.528 -2.807 1.00 0.00 C ATOM 0 H PHE A 19 -11.463 -5.202 -7.709 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.929 -5.849 -5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.238 -3.201 -6.544 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.399 -3.346 -5.240 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.831 -3.896 -6.117 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.687 -3.480 -2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.008 -3.747 -4.477 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.866 -3.330 -1.341 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.522 -3.461 -2.086 1.00 0.00 H new ATOM 269 N LEU A 20 -15.209 -5.566 -6.208 1.00 0.00 N ATOM 270 CA LEU A 20 -16.520 -5.630 -6.846 1.00 0.00 C ATOM 271 C LEU A 20 -17.124 -4.237 -6.989 1.00 0.00 C ATOM 272 O LEU A 20 -18.325 -4.045 -6.791 1.00 0.00 O ATOM 273 CB LEU A 20 -17.459 -6.525 -6.036 1.00 0.00 C ATOM 274 CG LEU A 20 -17.174 -8.026 -6.095 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.513 -8.580 -7.471 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.718 -8.306 -5.750 1.00 0.00 C ATOM 0 H LEU A 20 -15.215 -5.778 -5.210 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.393 -6.054 -7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.420 -6.209 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.478 -6.355 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.804 -8.525 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.304 -9.649 -7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.569 -8.412 -7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.909 -8.076 -8.225 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.533 -9.379 -5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.070 -7.795 -6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.507 -7.945 -4.743 1.00 0.00 H new ATOM 288 N THR A 21 -16.285 -3.266 -7.338 1.00 0.00 N ATOM 289 CA THR A 21 -16.737 -1.891 -7.510 1.00 0.00 C ATOM 290 C THR A 21 -15.947 -1.186 -8.606 1.00 0.00 C ATOM 291 O THR A 21 -14.852 -1.616 -8.970 1.00 0.00 O ATOM 292 CB THR A 21 -16.605 -1.089 -6.201 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.381 0.112 -6.282 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.150 -0.741 -5.923 1.00 0.00 C ATOM 0 H THR A 21 -15.289 -3.407 -7.507 1.00 0.00 H new ATOM 0 HA THR A 21 -17.788 -1.937 -7.796 1.00 0.00 H new ATOM 0 HB THR A 21 -16.976 -1.707 -5.383 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.153 0.043 -5.683 1.00 0.00 H new ATOM 0 HG21 THR A 21 -15.082 -0.175 -4.994 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.567 -1.658 -5.833 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.756 -0.141 -6.743 1.00 0.00 H new ATOM 302 N SER A 22 -16.508 -0.100 -9.129 1.00 0.00 N ATOM 303 CA SER A 22 -15.856 0.663 -10.186 1.00 0.00 C ATOM 304 C SER A 22 -14.660 1.437 -9.640 1.00 0.00 C ATOM 305 O SER A 22 -14.583 1.754 -8.453 1.00 0.00 O ATOM 306 CB SER A 22 -16.850 1.629 -10.834 1.00 0.00 C ATOM 307 OG SER A 22 -17.701 0.952 -11.743 1.00 0.00 O ATOM 0 H SER A 22 -17.412 0.271 -8.838 1.00 0.00 H new ATOM 0 HA SER A 22 -15.499 -0.039 -10.939 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.449 2.112 -10.062 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.308 2.417 -11.357 1.00 0.00 H new ATOM 0 HG SER A 22 -18.328 1.591 -12.142 1.00 0.00 H new ATOM 313 N PRO A 23 -13.703 1.748 -10.527 1.00 0.00 N ATOM 314 CA PRO A 23 -12.493 2.489 -10.159 1.00 0.00 C ATOM 315 C PRO A 23 -12.803 3.730 -9.329 1.00 0.00 C ATOM 316 O PRO A 23 -12.280 3.898 -8.228 1.00 0.00 O ATOM 317 CB PRO A 23 -11.894 2.885 -11.510 1.00 0.00 C ATOM 318 CG PRO A 23 -12.394 1.855 -12.463 1.00 0.00 C ATOM 319 CD PRO A 23 -13.729 1.402 -11.958 1.00 0.00 C ATOM 0 HA PRO A 23 -11.823 1.893 -9.539 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.211 3.885 -11.806 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.805 2.894 -11.473 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.482 2.269 -13.467 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.700 1.017 -12.524 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.544 1.907 -12.476 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.870 0.332 -12.108 1.00 0.00 H new ATOM 327 N GLU A 24 -13.658 4.596 -9.864 1.00 0.00 N ATOM 328 CA GLU A 24 -14.036 5.822 -9.171 1.00 0.00 C ATOM 329 C GLU A 24 -14.392 5.536 -7.715 1.00 0.00 C ATOM 330 O GLU A 24 -13.782 6.084 -6.798 1.00 0.00 O ATOM 331 CB GLU A 24 -15.220 6.488 -9.876 1.00 0.00 C ATOM 332 CG GLU A 24 -15.996 7.446 -8.989 1.00 0.00 C ATOM 333 CD GLU A 24 -16.721 8.517 -9.781 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.844 8.246 -10.257 1.00 0.00 O ATOM 335 OE2 GLU A 24 -16.166 9.626 -9.924 1.00 0.00 O ATOM 0 H GLU A 24 -14.101 4.471 -10.774 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.182 6.499 -9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.855 7.029 -10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.896 5.715 -10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.719 6.884 -8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.311 7.920 -8.286 1.00 0.00 H new ATOM 342 N GLU A 25 -15.385 4.676 -7.513 1.00 0.00 N ATOM 343 CA GLU A 25 -15.823 4.319 -6.169 1.00 0.00 C ATOM 344 C GLU A 25 -14.627 4.053 -5.259 1.00 0.00 C ATOM 345 O GLU A 25 -14.549 4.578 -4.147 1.00 0.00 O ATOM 346 CB GLU A 25 -16.728 3.085 -6.214 1.00 0.00 C ATOM 347 CG GLU A 25 -17.778 3.060 -5.116 1.00 0.00 C ATOM 348 CD GLU A 25 -19.076 3.723 -5.534 1.00 0.00 C ATOM 349 OE1 GLU A 25 -19.015 4.790 -6.180 1.00 0.00 O ATOM 350 OE2 GLU A 25 -20.152 3.176 -5.215 1.00 0.00 O ATOM 0 H GLU A 25 -15.901 4.214 -8.262 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.386 5.159 -5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.226 3.045 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.111 2.190 -6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.977 2.027 -4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.386 3.563 -4.232 1.00 0.00 H new ATOM 357 N LEU A 26 -13.698 3.234 -5.738 1.00 0.00 N ATOM 358 CA LEU A 26 -12.505 2.897 -4.969 1.00 0.00 C ATOM 359 C LEU A 26 -11.509 4.052 -4.974 1.00 0.00 C ATOM 360 O LEU A 26 -10.582 4.089 -4.166 1.00 0.00 O ATOM 361 CB LEU A 26 -11.846 1.639 -5.538 1.00 0.00 C ATOM 362 CG LEU A 26 -10.857 0.924 -4.617 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.569 0.378 -3.389 1.00 0.00 C ATOM 364 CD2 LEU A 26 -10.144 -0.194 -5.364 1.00 0.00 C ATOM 0 H LEU A 26 -13.747 2.791 -6.655 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.809 2.708 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.631 0.934 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.326 1.910 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.111 1.647 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.849 -0.127 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.031 1.199 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.338 -0.330 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.444 -0.692 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.877 -0.916 -5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.600 0.224 -6.211 1.00 0.00 H new ATOM 376 N TYR A 27 -11.709 4.994 -5.889 1.00 0.00 N ATOM 377 CA TYR A 27 -10.829 6.152 -5.999 1.00 0.00 C ATOM 378 C TYR A 27 -10.903 7.014 -4.743 1.00 0.00 C ATOM 379 O TYR A 27 -9.890 7.529 -4.269 1.00 0.00 O ATOM 380 CB TYR A 27 -11.199 6.985 -7.227 1.00 0.00 C ATOM 381 CG TYR A 27 -10.177 8.046 -7.570 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.816 7.777 -7.494 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.573 9.317 -7.968 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.879 8.743 -7.805 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.643 10.288 -8.283 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.297 9.997 -8.199 1.00 0.00 C ATOM 387 OH TYR A 27 -7.367 10.962 -8.510 1.00 0.00 O ATOM 0 H TYR A 27 -12.472 4.979 -6.565 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.807 5.791 -6.109 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.322 6.321 -8.082 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.163 7.463 -7.054 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.485 6.796 -7.187 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.626 9.549 -8.032 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.825 8.518 -7.740 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.968 11.270 -8.594 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.553 10.535 -8.849 1.00 0.00 H new ATOM 397 N ARG A 28 -12.110 7.167 -4.209 1.00 0.00 N ATOM 398 CA ARG A 28 -12.319 7.968 -3.009 1.00 0.00 C ATOM 399 C ARG A 28 -11.929 7.184 -1.758 1.00 0.00 C ATOM 400 O ARG A 28 -11.211 7.689 -0.895 1.00 0.00 O ATOM 401 CB ARG A 28 -13.780 8.410 -2.912 1.00 0.00 C ATOM 402 CG ARG A 28 -14.463 8.555 -4.262 1.00 0.00 C ATOM 403 CD ARG A 28 -15.384 7.380 -4.550 1.00 0.00 C ATOM 404 NE ARG A 28 -16.447 7.733 -5.487 1.00 0.00 N ATOM 405 CZ ARG A 28 -17.578 8.328 -5.124 1.00 0.00 C ATOM 406 NH1 ARG A 28 -17.793 8.633 -3.852 1.00 0.00 N ATOM 407 NH2 ARG A 28 -18.498 8.618 -6.036 1.00 0.00 N ATOM 0 H ARG A 28 -12.958 6.747 -4.588 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.684 8.851 -3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.331 7.686 -2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.828 9.363 -2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.036 9.482 -4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.709 8.629 -5.046 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.801 6.554 -4.958 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.825 7.028 -3.617 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.314 7.511 -6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.089 8.411 -3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -18.663 9.090 -3.577 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.337 8.384 -7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.366 9.075 -5.757 1.00 0.00 H new ATOM 421 N VAL A 29 -12.408 5.948 -1.668 1.00 0.00 N ATOM 422 CA VAL A 29 -12.110 5.094 -0.524 1.00 0.00 C ATOM 423 C VAL A 29 -10.648 5.221 -0.111 1.00 0.00 C ATOM 424 O VAL A 29 -10.301 5.020 1.054 1.00 0.00 O ATOM 425 CB VAL A 29 -12.419 3.617 -0.831 1.00 0.00 C ATOM 426 CG1 VAL A 29 -12.035 2.735 0.347 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.890 3.442 -1.180 1.00 0.00 C ATOM 0 H VAL A 29 -13.004 5.515 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.747 5.428 0.295 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.825 3.311 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.261 1.695 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.968 2.839 0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.600 3.038 1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.091 2.392 -1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.504 3.765 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.130 4.043 -2.057 1.00 0.00 H new ATOM 437 N PHE A 30 -9.794 5.555 -1.072 1.00 0.00 N ATOM 438 CA PHE A 30 -8.368 5.708 -0.808 1.00 0.00 C ATOM 439 C PHE A 30 -7.988 7.182 -0.712 1.00 0.00 C ATOM 440 O PHE A 30 -6.975 7.537 -0.107 1.00 0.00 O ATOM 441 CB PHE A 30 -7.548 5.029 -1.908 1.00 0.00 C ATOM 442 CG PHE A 30 -7.377 3.551 -1.702 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.457 2.692 -1.819 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.135 3.021 -1.391 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.303 1.331 -1.630 1.00 0.00 C ATOM 446 CE2 PHE A 30 -5.974 1.662 -1.201 1.00 0.00 C ATOM 447 CZ PHE A 30 -7.060 0.816 -1.320 1.00 0.00 C ATOM 0 H PHE A 30 -10.064 5.725 -2.041 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.148 5.231 0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.032 5.200 -2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.565 5.497 -1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.431 3.090 -2.061 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.283 3.678 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.153 0.672 -1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.000 1.261 -0.960 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.937 -0.247 -1.171 1.00 0.00 H new ATOM 457 N THR A 31 -8.807 8.039 -1.313 1.00 0.00 N ATOM 458 CA THR A 31 -8.557 9.475 -1.298 1.00 0.00 C ATOM 459 C THR A 31 -9.632 10.211 -0.506 1.00 0.00 C ATOM 460 O THR A 31 -9.978 11.351 -0.819 1.00 0.00 O ATOM 461 CB THR A 31 -8.503 10.051 -2.725 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.813 10.051 -3.304 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.557 9.242 -3.600 1.00 0.00 C ATOM 0 H THR A 31 -9.650 7.763 -1.817 1.00 0.00 H new ATOM 0 HA THR A 31 -7.590 9.623 -0.818 1.00 0.00 H new ATOM 0 HB THR A 31 -8.132 11.074 -2.666 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.938 9.233 -3.830 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.536 9.668 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.554 9.268 -3.173 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.902 8.209 -3.652 1.00 0.00 H new ATOM 471 N THR A 32 -10.156 9.554 0.524 1.00 0.00 N ATOM 472 CA THR A 32 -11.191 10.146 1.362 1.00 0.00 C ATOM 473 C THR A 32 -11.000 9.765 2.825 1.00 0.00 C ATOM 474 O THR A 32 -11.283 8.635 3.222 1.00 0.00 O ATOM 475 CB THR A 32 -12.598 9.711 0.909 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.738 9.900 -0.504 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.671 10.502 1.640 1.00 0.00 C ATOM 0 H THR A 32 -9.880 8.611 0.798 1.00 0.00 H new ATOM 0 HA THR A 32 -11.102 11.227 1.257 1.00 0.00 H new ATOM 0 HB THR A 32 -12.722 8.655 1.148 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.463 10.536 -0.679 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.655 10.177 1.303 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.580 10.333 2.713 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.548 11.564 1.429 1.00 0.00 H new ATOM 485 N GLN A 33 -10.519 10.714 3.621 1.00 0.00 N ATOM 486 CA GLN A 33 -10.291 10.475 5.042 1.00 0.00 C ATOM 487 C GLN A 33 -11.469 9.735 5.666 1.00 0.00 C ATOM 488 O GLN A 33 -11.287 8.745 6.374 1.00 0.00 O ATOM 489 CB GLN A 33 -10.060 11.799 5.772 1.00 0.00 C ATOM 490 CG GLN A 33 -9.881 11.643 7.274 1.00 0.00 C ATOM 491 CD GLN A 33 -9.477 12.937 7.951 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.146 13.921 7.289 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.502 12.943 9.279 1.00 0.00 N ATOM 0 H GLN A 33 -10.280 11.655 3.307 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.402 9.853 5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.176 12.283 5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.905 12.461 5.582 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.812 11.284 7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.124 10.884 7.469 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.783 12.105 9.788 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.240 13.786 9.790 1.00 0.00 H new ATOM 502 N GLU A 34 -12.677 10.222 5.398 1.00 0.00 N ATOM 503 CA GLU A 34 -13.884 9.607 5.935 1.00 0.00 C ATOM 504 C GLU A 34 -13.955 8.129 5.560 1.00 0.00 C ATOM 505 O GLU A 34 -13.879 7.253 6.423 1.00 0.00 O ATOM 506 CB GLU A 34 -15.127 10.335 5.420 1.00 0.00 C ATOM 507 CG GLU A 34 -16.428 9.611 5.725 1.00 0.00 C ATOM 508 CD GLU A 34 -17.622 10.545 5.759 1.00 0.00 C ATOM 509 OE1 GLU A 34 -18.229 10.769 4.691 1.00 0.00 O ATOM 510 OE2 GLU A 34 -17.949 11.051 6.852 1.00 0.00 O ATOM 0 H GLU A 34 -12.845 11.040 4.812 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.849 9.687 7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.163 11.331 5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.039 10.468 4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.596 8.841 4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.341 9.104 6.686 1.00 0.00 H new ATOM 517 N LEU A 35 -14.102 7.860 4.268 1.00 0.00 N ATOM 518 CA LEU A 35 -14.184 6.489 3.776 1.00 0.00 C ATOM 519 C LEU A 35 -13.110 5.616 4.417 1.00 0.00 C ATOM 520 O LEU A 35 -13.285 4.406 4.566 1.00 0.00 O ATOM 521 CB LEU A 35 -14.038 6.462 2.254 1.00 0.00 C ATOM 522 CG LEU A 35 -14.995 7.363 1.472 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.708 7.280 -0.019 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.440 6.984 1.761 1.00 0.00 C ATOM 0 H LEU A 35 -14.167 8.573 3.542 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.161 6.090 4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -13.016 6.746 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.177 5.436 1.914 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.839 8.393 1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.399 7.928 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.684 7.601 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.835 6.252 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.107 7.635 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.610 5.948 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.640 7.097 2.827 1.00 0.00 H new ATOM 536 N VAL A 36 -11.998 6.238 4.797 1.00 0.00 N ATOM 537 CA VAL A 36 -10.896 5.518 5.425 1.00 0.00 C ATOM 538 C VAL A 36 -11.228 5.156 6.868 1.00 0.00 C ATOM 539 O VAL A 36 -10.982 4.034 7.308 1.00 0.00 O ATOM 540 CB VAL A 36 -9.598 6.347 5.401 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.438 5.540 5.964 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.294 6.819 3.987 1.00 0.00 C ATOM 0 H VAL A 36 -11.837 7.238 4.681 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.746 4.605 4.850 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.737 7.226 6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.530 6.142 5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.657 5.257 6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.294 4.642 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.374 7.403 3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.175 5.955 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.116 7.437 3.625 1.00 0.00 H new ATOM 552 N GLN A 37 -11.788 6.115 7.599 1.00 0.00 N ATOM 553 CA GLN A 37 -12.153 5.896 8.994 1.00 0.00 C ATOM 554 C GLN A 37 -13.310 4.909 9.105 1.00 0.00 C ATOM 555 O GLN A 37 -13.743 4.566 10.205 1.00 0.00 O ATOM 556 CB GLN A 37 -12.533 7.222 9.657 1.00 0.00 C ATOM 557 CG GLN A 37 -11.362 7.926 10.322 1.00 0.00 C ATOM 558 CD GLN A 37 -11.715 9.321 10.800 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.976 9.536 11.984 1.00 0.00 O ATOM 560 NE2 GLN A 37 -11.724 10.278 9.879 1.00 0.00 N ATOM 0 H GLN A 37 -11.999 7.050 7.249 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.289 5.475 9.508 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.965 7.883 8.906 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.306 7.038 10.403 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.019 7.332 11.169 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.532 7.986 9.618 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.501 10.054 8.909 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.954 11.236 10.142 1.00 0.00 H new ATOM 569 N ALA A 38 -13.806 4.455 7.959 1.00 0.00 N ATOM 570 CA ALA A 38 -14.912 3.505 7.928 1.00 0.00 C ATOM 571 C ALA A 38 -14.402 2.068 7.929 1.00 0.00 C ATOM 572 O ALA A 38 -14.855 1.239 8.718 1.00 0.00 O ATOM 573 CB ALA A 38 -15.788 3.755 6.709 1.00 0.00 C ATOM 0 H ALA A 38 -13.460 4.729 7.040 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.509 3.651 8.828 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.610 3.039 6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.190 4.767 6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.193 3.638 5.803 1.00 0.00 H new ATOM 579 N PHE A 39 -13.456 1.780 7.041 1.00 0.00 N ATOM 580 CA PHE A 39 -12.885 0.442 6.939 1.00 0.00 C ATOM 581 C PHE A 39 -11.669 0.299 7.850 1.00 0.00 C ATOM 582 O PHE A 39 -10.952 -0.701 7.796 1.00 0.00 O ATOM 583 CB PHE A 39 -12.490 0.142 5.492 1.00 0.00 C ATOM 584 CG PHE A 39 -11.190 0.773 5.082 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.983 0.163 5.385 1.00 0.00 C ATOM 586 CD2 PHE A 39 -11.175 1.975 4.393 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.786 0.742 5.009 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.980 2.559 4.015 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.784 1.941 4.323 1.00 0.00 C ATOM 0 H PHE A 39 -13.069 2.455 6.382 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.642 -0.274 7.258 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.418 -0.938 5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.280 0.493 4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.978 -0.775 5.921 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.108 2.462 4.148 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.852 0.257 5.251 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.982 3.497 3.480 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.849 2.394 4.028 1.00 0.00 H new ATOM 599 N THR A 40 -11.442 1.306 8.687 1.00 0.00 N ATOM 600 CA THR A 40 -10.313 1.295 9.609 1.00 0.00 C ATOM 601 C THR A 40 -10.783 1.393 11.055 1.00 0.00 C ATOM 602 O THR A 40 -10.103 0.932 11.973 1.00 0.00 O ATOM 603 CB THR A 40 -9.339 2.452 9.318 1.00 0.00 C ATOM 604 OG1 THR A 40 -10.001 3.708 9.503 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.799 2.361 7.898 1.00 0.00 C ATOM 0 H THR A 40 -12.026 2.140 8.745 1.00 0.00 H new ATOM 0 HA THR A 40 -9.794 0.348 9.462 1.00 0.00 H new ATOM 0 HB THR A 40 -8.503 2.377 10.013 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.614 3.868 8.755 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.113 3.189 7.716 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.270 1.417 7.770 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.626 2.413 7.190 1.00 0.00 H new ATOM 613 N HIS A 41 -11.952 1.995 11.254 1.00 0.00 N ATOM 614 CA HIS A 41 -12.514 2.152 12.590 1.00 0.00 C ATOM 615 C HIS A 41 -11.477 2.723 13.552 1.00 0.00 C ATOM 616 O HIS A 41 -11.322 2.239 14.673 1.00 0.00 O ATOM 617 CB HIS A 41 -13.026 0.809 13.112 1.00 0.00 C ATOM 618 CG HIS A 41 -13.844 0.051 12.114 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.212 0.189 12.001 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.481 -0.857 11.177 1.00 0.00 C ATOM 621 CE1 HIS A 41 -15.654 -0.601 11.040 1.00 0.00 C ATOM 622 NE2 HIS A 41 -14.624 -1.247 10.523 1.00 0.00 N ATOM 0 H HIS A 41 -12.528 2.382 10.506 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.348 2.851 12.526 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.175 0.197 13.412 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.626 0.981 14.006 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.479 -1.209 10.981 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -16.683 -0.702 10.729 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -14.670 -1.925 9.762 1.00 0.00 H new ATOM 631 N ALA A 42 -10.768 3.755 13.106 1.00 0.00 N ATOM 632 CA ALA A 42 -9.747 4.393 13.927 1.00 0.00 C ATOM 633 C ALA A 42 -9.417 5.788 13.409 1.00 0.00 C ATOM 634 O ALA A 42 -9.517 6.073 12.215 1.00 0.00 O ATOM 635 CB ALA A 42 -8.491 3.534 13.970 1.00 0.00 C ATOM 0 H ALA A 42 -10.882 4.167 12.180 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.141 4.493 14.938 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.737 4.023 14.587 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.731 2.559 14.395 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.104 3.404 12.959 1.00 0.00 H new ATOM 641 N PRO A 43 -9.016 6.682 14.325 1.00 0.00 N ATOM 642 CA PRO A 43 -8.664 8.063 13.983 1.00 0.00 C ATOM 643 C PRO A 43 -7.720 8.142 12.788 1.00 0.00 C ATOM 644 O PRO A 43 -6.504 8.028 12.937 1.00 0.00 O ATOM 645 CB PRO A 43 -7.970 8.576 15.248 1.00 0.00 C ATOM 646 CG PRO A 43 -8.533 7.748 16.351 1.00 0.00 C ATOM 647 CD PRO A 43 -8.874 6.412 15.766 1.00 0.00 C ATOM 0 HA PRO A 43 -9.538 8.646 13.693 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.888 8.462 15.180 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.169 9.636 15.407 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.811 7.641 17.160 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.419 8.221 16.775 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.091 5.679 15.960 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.795 6.013 16.190 1.00 0.00 H new ATOM 655 N ALA A 44 -8.289 8.338 11.603 1.00 0.00 N ATOM 656 CA ALA A 44 -7.497 8.435 10.383 1.00 0.00 C ATOM 657 C ALA A 44 -7.563 9.841 9.796 1.00 0.00 C ATOM 658 O ALA A 44 -8.632 10.449 9.729 1.00 0.00 O ATOM 659 CB ALA A 44 -7.974 7.412 9.362 1.00 0.00 C ATOM 0 H ALA A 44 -9.295 8.433 11.462 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.458 8.223 10.636 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.374 7.495 8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.869 6.409 9.776 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.021 7.598 9.122 1.00 0.00 H new ATOM 665 N THR A 45 -6.413 10.354 9.371 1.00 0.00 N ATOM 666 CA THR A 45 -6.339 11.690 8.792 1.00 0.00 C ATOM 667 C THR A 45 -5.799 11.642 7.367 1.00 0.00 C ATOM 668 O THR A 45 -4.589 11.552 7.154 1.00 0.00 O ATOM 669 CB THR A 45 -5.448 12.620 9.636 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.022 12.803 10.935 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.278 13.970 8.956 1.00 0.00 C ATOM 0 H THR A 45 -5.519 9.864 9.417 1.00 0.00 H new ATOM 0 HA THR A 45 -7.354 12.086 8.780 1.00 0.00 H new ATOM 0 HB THR A 45 -4.467 12.155 9.735 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.448 13.394 11.466 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.645 14.610 9.571 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.813 13.830 7.980 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.254 14.439 8.829 1.00 0.00 H new ATOM 679 N LEU A 46 -6.702 11.703 6.395 1.00 0.00 N ATOM 680 CA LEU A 46 -6.315 11.668 4.989 1.00 0.00 C ATOM 681 C LEU A 46 -6.613 13.000 4.308 1.00 0.00 C ATOM 682 O LEU A 46 -7.650 13.615 4.555 1.00 0.00 O ATOM 683 CB LEU A 46 -7.050 10.537 4.266 1.00 0.00 C ATOM 684 CG LEU A 46 -6.411 10.044 2.967 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.611 8.545 2.809 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.988 10.790 1.773 1.00 0.00 C ATOM 0 H LEU A 46 -7.707 11.777 6.554 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.241 11.487 4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.136 9.692 4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.063 10.872 4.045 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.340 10.244 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.150 8.212 1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.150 8.026 3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.677 8.321 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.522 10.427 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.064 10.622 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.792 11.857 1.881 1.00 0.00 H new ATOM 698 N GLU A 47 -5.697 13.438 3.450 1.00 0.00 N ATOM 699 CA GLU A 47 -5.864 14.697 2.733 1.00 0.00 C ATOM 700 C GLU A 47 -5.584 14.516 1.244 1.00 0.00 C ATOM 701 O GLU A 47 -4.433 14.548 0.810 1.00 0.00 O ATOM 702 CB GLU A 47 -4.934 15.766 3.312 1.00 0.00 C ATOM 703 CG GLU A 47 -5.329 16.226 4.705 1.00 0.00 C ATOM 704 CD GLU A 47 -6.519 17.166 4.694 1.00 0.00 C ATOM 705 OE1 GLU A 47 -6.722 17.853 3.671 1.00 0.00 O ATOM 706 OE2 GLU A 47 -7.246 17.214 5.708 1.00 0.00 O ATOM 0 H GLU A 47 -4.833 12.941 3.235 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.898 15.021 2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.918 15.373 3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.923 16.627 2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.564 15.356 5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.481 16.726 5.173 1.00 0.00 H new ATOM 713 N ALA A 48 -6.645 14.326 0.467 1.00 0.00 N ATOM 714 CA ALA A 48 -6.515 14.142 -0.972 1.00 0.00 C ATOM 715 C ALA A 48 -5.897 15.371 -1.630 1.00 0.00 C ATOM 716 O ALA A 48 -6.594 16.336 -1.944 1.00 0.00 O ATOM 717 CB ALA A 48 -7.871 13.836 -1.590 1.00 0.00 C ATOM 0 H ALA A 48 -7.605 14.296 0.811 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.850 13.296 -1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.758 13.701 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.274 12.924 -1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.554 14.664 -1.398 1.00 0.00 H new ATOM 723 N ASP A 49 -4.585 15.330 -1.834 1.00 0.00 N ATOM 724 CA ASP A 49 -3.873 16.441 -2.455 1.00 0.00 C ATOM 725 C ASP A 49 -2.405 16.089 -2.677 1.00 0.00 C ATOM 726 O ASP A 49 -1.811 15.342 -1.900 1.00 0.00 O ATOM 727 CB ASP A 49 -3.983 17.695 -1.586 1.00 0.00 C ATOM 728 CG ASP A 49 -3.945 18.971 -2.403 1.00 0.00 C ATOM 729 OD1 ASP A 49 -4.941 19.260 -3.099 1.00 0.00 O ATOM 730 OD2 ASP A 49 -2.919 19.681 -2.347 1.00 0.00 O ATOM 0 H ASP A 49 -3.993 14.540 -1.579 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.332 16.638 -3.424 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.912 17.659 -1.017 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.167 17.705 -0.863 1.00 0.00 H new ATOM 735 N ARG A 50 -1.827 16.632 -3.744 1.00 0.00 N ATOM 736 CA ARG A 50 -0.429 16.373 -4.070 1.00 0.00 C ATOM 737 C ARG A 50 0.487 16.833 -2.940 1.00 0.00 C ATOM 738 O ARG A 50 0.791 18.019 -2.817 1.00 0.00 O ATOM 739 CB ARG A 50 -0.048 17.082 -5.371 1.00 0.00 C ATOM 740 CG ARG A 50 -0.352 16.270 -6.619 1.00 0.00 C ATOM 741 CD ARG A 50 0.395 16.807 -7.830 1.00 0.00 C ATOM 742 NE ARG A 50 -0.328 16.558 -9.074 1.00 0.00 N ATOM 743 CZ ARG A 50 -0.143 17.262 -10.185 1.00 0.00 C ATOM 744 NH1 ARG A 50 0.738 18.253 -10.207 1.00 0.00 N ATOM 745 NH2 ARG A 50 -0.839 16.975 -11.278 1.00 0.00 N ATOM 0 H ARG A 50 -2.305 17.253 -4.397 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.305 15.298 -4.200 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.581 18.031 -5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.017 17.315 -5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.076 15.229 -6.453 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.424 16.289 -6.814 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.554 17.879 -7.712 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.380 16.342 -7.884 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.013 15.802 -9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.276 18.476 -9.369 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.878 18.792 -11.062 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.517 16.213 -11.265 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.696 17.516 -12.131 1.00 0.00 H new ATOM 759 N GLY A 51 0.923 15.885 -2.115 1.00 0.00 N ATOM 760 CA GLY A 51 1.799 16.213 -1.006 1.00 0.00 C ATOM 761 C GLY A 51 1.097 16.119 0.335 1.00 0.00 C ATOM 762 O GLY A 51 1.714 16.311 1.381 1.00 0.00 O ATOM 0 H GLY A 51 0.685 14.896 -2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.656 15.539 -1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.187 17.223 -1.140 1.00 0.00 H new ATOM 766 N GLY A 52 -0.199 15.823 0.303 1.00 0.00 N ATOM 767 CA GLY A 52 -0.965 15.711 1.531 1.00 0.00 C ATOM 768 C GLY A 52 -0.481 14.579 2.414 1.00 0.00 C ATOM 769 O GLY A 52 0.368 13.784 2.009 1.00 0.00 O ATOM 0 H GLY A 52 -0.732 15.659 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.902 16.650 2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.016 15.554 1.287 1.00 0.00 H new ATOM 773 N LYS A 53 -1.019 14.505 3.627 1.00 0.00 N ATOM 774 CA LYS A 53 -0.638 13.462 4.572 1.00 0.00 C ATOM 775 C LYS A 53 -1.815 12.538 4.866 1.00 0.00 C ATOM 776 O LYS A 53 -2.943 12.994 5.055 1.00 0.00 O ATOM 777 CB LYS A 53 -0.127 14.086 5.872 1.00 0.00 C ATOM 778 CG LYS A 53 1.366 14.367 5.867 1.00 0.00 C ATOM 779 CD LYS A 53 1.756 15.284 4.719 1.00 0.00 C ATOM 780 CE LYS A 53 3.140 15.879 4.927 1.00 0.00 C ATOM 781 NZ LYS A 53 3.112 17.031 5.871 1.00 0.00 N ATOM 0 H LYS A 53 -1.721 15.156 3.979 1.00 0.00 H new ATOM 0 HA LYS A 53 0.160 12.872 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.663 15.018 6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.360 13.418 6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.654 14.824 6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.914 13.428 5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.736 14.726 3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.024 16.086 4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.812 15.111 5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.543 16.205 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.074 17.409 5.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.491 17.775 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.751 16.715 6.794 1.00 0.00 H new ATOM 795 N PHE A 54 -1.545 11.237 4.906 1.00 0.00 N ATOM 796 CA PHE A 54 -2.582 10.249 5.179 1.00 0.00 C ATOM 797 C PHE A 54 -2.196 9.369 6.364 1.00 0.00 C ATOM 798 O PHE A 54 -1.142 8.732 6.361 1.00 0.00 O ATOM 799 CB PHE A 54 -2.827 9.382 3.943 1.00 0.00 C ATOM 800 CG PHE A 54 -1.772 8.335 3.726 1.00 0.00 C ATOM 801 CD1 PHE A 54 -1.839 7.118 4.385 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.713 8.568 2.864 1.00 0.00 C ATOM 803 CE1 PHE A 54 -0.870 6.152 4.188 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.258 7.606 2.662 1.00 0.00 C ATOM 805 CZ PHE A 54 0.181 6.397 3.326 1.00 0.00 C ATOM 0 H PHE A 54 -0.617 10.843 4.753 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.500 10.781 5.429 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.797 8.894 4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.877 10.024 3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.658 6.922 5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.646 9.512 2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.935 5.207 4.707 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.077 7.799 1.985 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.941 5.645 3.171 1.00 0.00 H new ATOM 815 N HIS A 55 -3.057 9.338 7.376 1.00 0.00 N ATOM 816 CA HIS A 55 -2.808 8.535 8.568 1.00 0.00 C ATOM 817 C HIS A 55 -4.024 7.682 8.914 1.00 0.00 C ATOM 818 O HIS A 55 -5.157 8.164 8.898 1.00 0.00 O ATOM 819 CB HIS A 55 -2.450 9.437 9.750 1.00 0.00 C ATOM 820 CG HIS A 55 -1.395 8.863 10.644 1.00 0.00 C ATOM 821 ND1 HIS A 55 -1.222 7.508 10.831 1.00 0.00 N ATOM 822 CD2 HIS A 55 -0.453 9.469 11.404 1.00 0.00 C ATOM 823 CE1 HIS A 55 -0.221 7.305 11.668 1.00 0.00 C ATOM 824 NE2 HIS A 55 0.264 8.479 12.030 1.00 0.00 N ATOM 0 H HIS A 55 -3.933 9.860 7.395 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.969 7.871 8.359 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.108 10.400 9.371 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.349 9.626 10.337 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.295 10.533 11.500 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.140 6.343 12.000 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.044 8.626 12.670 1.00 0.00 H new ATOM 833 N MET A 56 -3.782 6.413 9.225 1.00 0.00 N ATOM 834 CA MET A 56 -4.859 5.494 9.575 1.00 0.00 C ATOM 835 C MET A 56 -4.374 4.442 10.567 1.00 0.00 C ATOM 836 O MET A 56 -3.176 4.318 10.820 1.00 0.00 O ATOM 837 CB MET A 56 -5.406 4.813 8.318 1.00 0.00 C ATOM 838 CG MET A 56 -4.497 4.951 7.108 1.00 0.00 C ATOM 839 SD MET A 56 -5.334 4.554 5.561 1.00 0.00 S ATOM 840 CE MET A 56 -5.312 2.764 5.615 1.00 0.00 C ATOM 0 H MET A 56 -2.851 5.998 9.242 1.00 0.00 H new ATOM 0 HA MET A 56 -5.657 6.070 10.044 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.561 3.754 8.527 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.381 5.238 8.080 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.116 5.971 7.059 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.635 4.295 7.229 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.796 2.367 4.722 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.281 2.414 5.655 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.846 2.420 6.501 1.00 0.00 H new ATOM 850 N VAL A 57 -5.313 3.685 11.126 1.00 0.00 N ATOM 851 CA VAL A 57 -4.981 2.643 12.091 1.00 0.00 C ATOM 852 C VAL A 57 -4.566 3.244 13.429 1.00 0.00 C ATOM 853 O VAL A 57 -3.489 2.949 13.946 1.00 0.00 O ATOM 854 CB VAL A 57 -3.847 1.740 11.572 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.710 0.501 12.444 1.00 0.00 C ATOM 856 CG2 VAL A 57 -4.093 1.356 10.121 1.00 0.00 C ATOM 0 H VAL A 57 -6.310 3.774 10.927 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.880 2.042 12.230 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.911 2.296 11.623 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.904 -0.125 12.062 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.484 0.800 13.468 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.644 -0.060 12.428 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.282 0.718 9.771 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.038 0.818 10.042 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.136 2.257 9.509 1.00 0.00 H new ATOM 866 N ASP A 58 -5.428 4.089 13.984 1.00 0.00 N ATOM 867 CA ASP A 58 -5.153 4.731 15.264 1.00 0.00 C ATOM 868 C ASP A 58 -3.782 5.401 15.251 1.00 0.00 C ATOM 869 O ASP A 58 -3.078 5.415 16.260 1.00 0.00 O ATOM 870 CB ASP A 58 -5.223 3.708 16.398 1.00 0.00 C ATOM 871 CG ASP A 58 -5.649 4.330 17.714 1.00 0.00 C ATOM 872 OD1 ASP A 58 -6.828 4.725 17.828 1.00 0.00 O ATOM 873 OD2 ASP A 58 -4.803 4.422 18.628 1.00 0.00 O ATOM 0 H ASP A 58 -6.323 4.345 13.567 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.911 5.496 15.429 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.925 2.919 16.129 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.247 3.238 16.521 1.00 0.00 H new ATOM 878 N GLY A 59 -3.410 5.955 14.101 1.00 0.00 N ATOM 879 CA GLY A 59 -2.125 6.619 13.979 1.00 0.00 C ATOM 880 C GLY A 59 -0.965 5.643 14.002 1.00 0.00 C ATOM 881 O GLY A 59 -0.022 5.808 14.775 1.00 0.00 O ATOM 0 H GLY A 59 -3.975 5.956 13.252 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.100 7.187 13.049 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.010 7.335 14.793 1.00 0.00 H new ATOM 885 N ASN A 60 -1.035 4.623 13.153 1.00 0.00 N ATOM 886 CA ASN A 60 0.017 3.615 13.081 1.00 0.00 C ATOM 887 C ASN A 60 0.673 3.611 11.704 1.00 0.00 C ATOM 888 O ASN A 60 1.816 3.179 11.549 1.00 0.00 O ATOM 889 CB ASN A 60 -0.552 2.230 13.392 1.00 0.00 C ATOM 890 CG ASN A 60 -0.474 1.890 14.867 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.466 1.233 15.316 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.465 2.337 15.631 1.00 0.00 N ATOM 0 H ASN A 60 -1.809 4.472 12.506 1.00 0.00 H new ATOM 0 HA ASN A 60 0.775 3.863 13.824 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.591 2.186 13.066 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.007 1.479 12.820 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.467 2.139 16.632 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.224 2.878 15.217 1.00 0.00 H new ATOM 899 N VAL A 61 -0.058 4.095 10.705 1.00 0.00 N ATOM 900 CA VAL A 61 0.452 4.149 9.340 1.00 0.00 C ATOM 901 C VAL A 61 0.277 5.541 8.742 1.00 0.00 C ATOM 902 O VAL A 61 -0.844 6.021 8.578 1.00 0.00 O ATOM 903 CB VAL A 61 -0.254 3.122 8.436 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.255 3.229 7.006 1.00 0.00 C ATOM 905 CG2 VAL A 61 -0.059 1.713 8.976 1.00 0.00 C ATOM 0 H VAL A 61 -1.006 4.456 10.815 1.00 0.00 H new ATOM 0 HA VAL A 61 1.514 3.909 9.390 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.322 3.341 8.433 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.256 2.495 6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.058 4.230 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.328 3.038 6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.565 1.000 8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.005 1.481 9.011 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.478 1.647 9.980 1.00 0.00 H new ATOM 915 N SER A 62 1.394 6.184 8.418 1.00 0.00 N ATOM 916 CA SER A 62 1.365 7.523 7.841 1.00 0.00 C ATOM 917 C SER A 62 2.080 7.550 6.494 1.00 0.00 C ATOM 918 O SER A 62 2.708 6.571 6.092 1.00 0.00 O ATOM 919 CB SER A 62 2.014 8.527 8.796 1.00 0.00 C ATOM 920 OG SER A 62 3.372 8.198 9.036 1.00 0.00 O ATOM 0 H SER A 62 2.330 5.800 8.545 1.00 0.00 H new ATOM 0 HA SER A 62 0.323 7.802 7.685 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.949 9.530 8.374 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.468 8.542 9.739 1.00 0.00 H new ATOM 0 HG SER A 62 3.765 8.855 9.648 1.00 0.00 H new ATOM 926 N GLY A 63 1.980 8.680 5.800 1.00 0.00 N ATOM 927 CA GLY A 63 2.622 8.814 4.505 1.00 0.00 C ATOM 928 C GLY A 63 2.359 10.163 3.866 1.00 0.00 C ATOM 929 O GLY A 63 1.828 11.068 4.508 1.00 0.00 O ATOM 0 H GLY A 63 1.466 9.504 6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.697 8.672 4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.265 8.025 3.842 1.00 0.00 H new ATOM 933 N GLU A 64 2.733 10.298 2.597 1.00 0.00 N ATOM 934 CA GLU A 64 2.536 11.547 1.872 1.00 0.00 C ATOM 935 C GLU A 64 2.226 11.281 0.402 1.00 0.00 C ATOM 936 O GLU A 64 2.840 10.418 -0.227 1.00 0.00 O ATOM 937 CB GLU A 64 3.779 12.432 1.990 1.00 0.00 C ATOM 938 CG GLU A 64 4.812 12.178 0.905 1.00 0.00 C ATOM 939 CD GLU A 64 6.015 13.094 1.019 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.446 13.367 2.159 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.526 13.538 -0.031 1.00 0.00 O ATOM 0 H GLU A 64 3.174 9.558 2.051 1.00 0.00 H new ATOM 0 HA GLU A 64 1.686 12.065 2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.475 13.478 1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.240 12.269 2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.143 11.141 0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.348 12.314 -0.072 1.00 0.00 H new ATOM 948 N PHE A 65 1.269 12.026 -0.140 1.00 0.00 N ATOM 949 CA PHE A 65 0.875 11.870 -1.535 1.00 0.00 C ATOM 950 C PHE A 65 1.885 12.537 -2.463 1.00 0.00 C ATOM 951 O PHE A 65 2.218 13.711 -2.298 1.00 0.00 O ATOM 952 CB PHE A 65 -0.516 12.465 -1.764 1.00 0.00 C ATOM 953 CG PHE A 65 -1.632 11.587 -1.276 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.476 10.816 -0.135 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.837 11.531 -1.958 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.501 10.007 0.318 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.866 10.724 -1.510 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.697 9.960 -0.371 1.00 0.00 C ATOM 0 H PHE A 65 0.751 12.745 0.366 1.00 0.00 H new ATOM 0 HA PHE A 65 0.848 10.804 -1.762 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.577 13.430 -1.260 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.651 12.652 -2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.542 10.848 0.407 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.974 12.125 -2.850 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.367 9.412 1.210 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.801 10.691 -2.050 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.499 9.327 -0.020 1.00 0.00 H new ATOM 968 N THR A 66 2.372 11.779 -3.441 1.00 0.00 N ATOM 969 CA THR A 66 3.346 12.295 -4.395 1.00 0.00 C ATOM 970 C THR A 66 2.709 12.526 -5.761 1.00 0.00 C ATOM 971 O THR A 66 3.014 13.505 -6.441 1.00 0.00 O ATOM 972 CB THR A 66 4.540 11.334 -4.554 1.00 0.00 C ATOM 973 OG1 THR A 66 4.069 10.005 -4.806 1.00 0.00 O ATOM 974 CG2 THR A 66 5.410 11.341 -3.307 1.00 0.00 C ATOM 0 H THR A 66 2.108 10.806 -3.593 1.00 0.00 H new ATOM 0 HA THR A 66 3.704 13.245 -3.999 1.00 0.00 H new ATOM 0 HB THR A 66 5.140 11.672 -5.398 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.096 10.020 -4.925 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.246 10.655 -3.443 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.791 12.348 -3.135 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.818 11.025 -2.448 1.00 0.00 H new ATOM 982 N ASP A 67 1.822 11.618 -6.156 1.00 0.00 N ATOM 983 CA ASP A 67 1.140 11.724 -7.440 1.00 0.00 C ATOM 984 C ASP A 67 -0.325 11.322 -7.312 1.00 0.00 C ATOM 985 O ASP A 67 -0.663 10.391 -6.579 1.00 0.00 O ATOM 986 CB ASP A 67 1.834 10.847 -8.484 1.00 0.00 C ATOM 987 CG ASP A 67 1.704 11.405 -9.888 1.00 0.00 C ATOM 988 OD1 ASP A 67 1.615 12.643 -10.028 1.00 0.00 O ATOM 989 OD2 ASP A 67 1.692 10.605 -10.845 1.00 0.00 O ATOM 0 H ASP A 67 1.559 10.801 -5.605 1.00 0.00 H new ATOM 0 HA ASP A 67 1.185 12.764 -7.763 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.890 10.752 -8.230 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.407 9.844 -8.454 1.00 0.00 H new ATOM 994 N LEU A 68 -1.192 12.029 -8.029 1.00 0.00 N ATOM 995 CA LEU A 68 -2.623 11.746 -7.995 1.00 0.00 C ATOM 996 C LEU A 68 -3.248 11.935 -9.373 1.00 0.00 C ATOM 997 O LEU A 68 -3.307 13.049 -9.893 1.00 0.00 O ATOM 998 CB LEU A 68 -3.318 12.654 -6.978 1.00 0.00 C ATOM 999 CG LEU A 68 -2.923 12.450 -5.516 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.385 13.626 -4.669 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.501 11.147 -4.983 1.00 0.00 C ATOM 0 H LEU A 68 -0.929 12.802 -8.641 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.756 10.706 -7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.114 13.690 -7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.395 12.508 -7.066 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.836 12.392 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.095 13.463 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.922 14.542 -5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.469 13.717 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.209 11.019 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.588 11.175 -5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.120 10.312 -5.572 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.717 10.837 -9.960 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.341 10.882 -11.277 1.00 0.00 C ATOM 1015 C VAL A 69 -5.814 10.498 -11.200 1.00 0.00 C ATOM 1016 O VAL A 69 -6.204 9.573 -10.487 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.628 9.943 -12.268 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -4.159 10.152 -13.678 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -2.123 10.160 -12.218 1.00 0.00 C ATOM 0 H VAL A 69 -3.676 9.907 -9.544 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.254 11.908 -11.634 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.833 8.913 -11.978 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.644 9.480 -14.364 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.228 9.942 -13.699 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.986 11.184 -13.983 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.635 9.488 -12.924 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.895 11.193 -12.482 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.759 9.955 -11.211 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.655 11.223 -11.951 1.00 0.00 N ATOM 1030 CA PRO A 70 -8.100 10.976 -11.987 1.00 0.00 C ATOM 1031 C PRO A 70 -8.431 9.501 -12.182 1.00 0.00 C ATOM 1032 O PRO A 70 -8.191 8.938 -13.249 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.570 11.794 -13.192 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.563 12.884 -13.327 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.260 12.341 -12.825 1.00 0.00 C ATOM 0 HA PRO A 70 -8.585 11.254 -11.051 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.614 11.182 -14.093 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.570 12.197 -13.031 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.474 13.200 -14.366 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.863 13.760 -12.752 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.626 12.003 -13.645 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.697 13.097 -12.277 1.00 0.00 H new ATOM 1043 N GLU A 71 -8.984 8.881 -11.144 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.347 7.470 -11.202 1.00 0.00 C ATOM 1045 C GLU A 71 -8.409 6.705 -12.131 1.00 0.00 C ATOM 1046 O GLU A 71 -8.853 5.958 -13.004 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.793 7.312 -11.677 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.766 8.255 -10.989 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.120 8.295 -11.669 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.411 7.379 -12.467 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.890 9.242 -11.404 1.00 0.00 O ATOM 0 H GLU A 71 -9.190 9.334 -10.253 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.254 7.056 -10.198 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.834 7.483 -12.753 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.113 6.284 -11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.894 7.946 -9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.342 9.259 -10.972 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.108 6.896 -11.938 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.106 6.225 -12.757 1.00 0.00 C ATOM 1060 C LYS A 72 -5.082 5.506 -11.883 1.00 0.00 C ATOM 1061 O LYS A 72 -4.913 4.290 -11.980 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.399 7.235 -13.663 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.162 7.546 -14.939 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.223 7.740 -16.118 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.966 6.430 -16.847 1.00 0.00 C ATOM 1066 NZ LYS A 72 -3.723 6.485 -17.665 1.00 0.00 N ATOM 0 H LYS A 72 -6.723 7.511 -11.221 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.614 5.485 -13.375 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.242 8.160 -13.109 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.414 6.849 -13.924 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.856 6.734 -15.156 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.759 8.447 -14.796 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.651 8.465 -16.810 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.278 8.154 -15.767 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.888 5.620 -16.122 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.815 6.200 -17.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.583 5.573 -18.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.807 7.241 -18.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.909 6.679 -17.047 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.403 6.266 -11.029 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.397 5.700 -10.137 1.00 0.00 C ATOM 1082 C HIS A 73 -3.067 6.670 -9.007 1.00 0.00 C ATOM 1083 O HIS A 73 -3.368 7.861 -9.091 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.128 5.356 -10.917 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.047 6.384 -10.785 1.00 0.00 C ATOM 1086 ND1 HIS A 73 0.293 6.064 -10.727 1.00 0.00 N ATOM 1087 CD2 HIS A 73 -1.114 7.734 -10.703 1.00 0.00 C ATOM 1088 CE1 HIS A 73 1.003 7.172 -10.613 1.00 0.00 C ATOM 1089 NE2 HIS A 73 0.173 8.200 -10.596 1.00 0.00 N ATOM 0 H HIS A 73 -4.531 7.274 -10.936 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.805 4.787 -9.702 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.748 4.395 -10.571 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.380 5.239 -11.971 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -2.013 8.333 -10.719 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.079 7.228 -10.545 1.00 0.00 H new ATOM 0 HE2 HIS A 73 0.444 9.180 -10.516 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.448 6.153 -7.951 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.077 6.974 -6.805 1.00 0.00 C ATOM 1100 C ILE A 74 -0.706 6.578 -6.266 1.00 0.00 C ATOM 1101 O ILE A 74 -0.460 5.411 -5.962 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.114 6.861 -5.672 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.499 7.268 -6.177 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.701 7.723 -4.488 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.620 6.897 -5.232 1.00 0.00 C ATOM 0 H ILE A 74 -2.193 5.169 -7.865 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.043 8.006 -7.154 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.159 5.823 -5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.515 8.345 -6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.678 6.796 -7.143 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.444 7.633 -3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.732 7.391 -4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.631 8.764 -4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.573 7.216 -5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.631 5.817 -5.087 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.465 7.391 -4.273 1.00 0.00 H new ATOM 1117 N VAL A 75 0.183 7.559 -6.148 1.00 0.00 N ATOM 1118 CA VAL A 75 1.529 7.314 -5.643 1.00 0.00 C ATOM 1119 C VAL A 75 1.779 8.083 -4.351 1.00 0.00 C ATOM 1120 O VAL A 75 1.693 9.311 -4.321 1.00 0.00 O ATOM 1121 CB VAL A 75 2.598 7.710 -6.678 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.947 7.110 -6.309 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.175 7.274 -8.073 1.00 0.00 C ATOM 0 H VAL A 75 -0.004 8.531 -6.395 1.00 0.00 H new ATOM 0 HA VAL A 75 1.603 6.244 -5.447 1.00 0.00 H new ATOM 0 HB VAL A 75 2.697 8.795 -6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.690 7.401 -7.052 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.252 7.476 -5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.867 6.023 -6.282 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.942 7.562 -8.792 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.047 6.192 -8.093 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.233 7.756 -8.335 1.00 0.00 H new ATOM 1133 N MET A 76 2.089 7.353 -3.284 1.00 0.00 N ATOM 1134 CA MET A 76 2.353 7.968 -1.988 1.00 0.00 C ATOM 1135 C MET A 76 3.328 7.123 -1.175 1.00 0.00 C ATOM 1136 O MET A 76 3.715 6.030 -1.590 1.00 0.00 O ATOM 1137 CB MET A 76 1.048 8.152 -1.211 1.00 0.00 C ATOM 1138 CG MET A 76 0.518 6.865 -0.600 1.00 0.00 C ATOM 1139 SD MET A 76 -1.255 6.928 -0.279 1.00 0.00 S ATOM 1140 CE MET A 76 -1.751 5.286 -0.797 1.00 0.00 C ATOM 0 H MET A 76 2.163 6.336 -3.291 1.00 0.00 H new ATOM 0 HA MET A 76 2.804 8.945 -2.162 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.207 8.883 -0.418 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.292 8.566 -1.879 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.733 6.033 -1.271 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.045 6.666 0.333 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.826 5.170 -0.659 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.503 5.146 -1.849 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.226 4.542 -0.199 1.00 0.00 H new ATOM 1150 N LYS A 77 3.723 7.636 -0.014 1.00 0.00 N ATOM 1151 CA LYS A 77 4.652 6.929 0.859 1.00 0.00 C ATOM 1152 C LYS A 77 3.901 6.127 1.917 1.00 0.00 C ATOM 1153 O LYS A 77 2.819 6.519 2.354 1.00 0.00 O ATOM 1154 CB LYS A 77 5.604 7.919 1.534 1.00 0.00 C ATOM 1155 CG LYS A 77 6.733 8.388 0.633 1.00 0.00 C ATOM 1156 CD LYS A 77 7.810 9.114 1.421 1.00 0.00 C ATOM 1157 CE LYS A 77 7.474 10.587 1.600 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.635 11.363 2.115 1.00 0.00 N ATOM 0 H LYS A 77 3.414 8.540 0.344 1.00 0.00 H new ATOM 0 HA LYS A 77 5.231 6.237 0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.035 8.786 1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.029 7.453 2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.171 7.531 0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.335 9.050 -0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.926 8.645 2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.766 9.018 0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.153 11.005 0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.636 10.687 2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.334 12.334 2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.001 10.910 2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.383 11.388 1.393 1.00 0.00 H new ATOM 1172 N TRP A 78 4.483 5.005 2.325 1.00 0.00 N ATOM 1173 CA TRP A 78 3.869 4.149 3.334 1.00 0.00 C ATOM 1174 C TRP A 78 4.890 3.727 4.384 1.00 0.00 C ATOM 1175 O TRP A 78 6.053 3.477 4.067 1.00 0.00 O ATOM 1176 CB TRP A 78 3.253 2.913 2.677 1.00 0.00 C ATOM 1177 CG TRP A 78 2.167 2.283 3.496 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.821 2.455 3.344 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.337 1.382 4.596 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.144 1.716 4.283 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.051 1.048 5.063 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.450 0.824 5.231 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.850 0.182 6.135 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.249 -0.035 6.295 1.00 0.00 C ATOM 1185 CH2 TRP A 78 1.957 -0.350 6.738 1.00 0.00 C ATOM 0 H TRP A 78 5.379 4.667 1.973 1.00 0.00 H new ATOM 0 HA TRP A 78 3.082 4.719 3.828 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.849 3.191 1.704 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.037 2.177 2.498 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.357 3.080 2.595 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.870 1.672 4.383 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.449 1.060 4.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.145 -0.061 6.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.102 -0.471 6.794 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.833 -1.026 7.571 1.00 0.00 H new ATOM 1196 N ARG A 79 4.448 3.648 5.635 1.00 0.00 N ATOM 1197 CA ARG A 79 5.324 3.256 6.732 1.00 0.00 C ATOM 1198 C ARG A 79 4.527 3.043 8.016 1.00 0.00 C ATOM 1199 O ARG A 79 3.376 3.465 8.121 1.00 0.00 O ATOM 1200 CB ARG A 79 6.401 4.320 6.958 1.00 0.00 C ATOM 1201 CG ARG A 79 5.862 5.618 7.536 1.00 0.00 C ATOM 1202 CD ARG A 79 6.900 6.314 8.403 1.00 0.00 C ATOM 1203 NE ARG A 79 7.064 5.655 9.696 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.542 6.263 10.776 1.00 0.00 C ATOM 1205 NH1 ARG A 79 7.901 7.539 10.718 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.662 5.596 11.916 1.00 0.00 N ATOM 0 H ARG A 79 3.488 3.850 5.914 1.00 0.00 H new ATOM 0 HA ARG A 79 5.803 2.315 6.462 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.160 3.920 7.631 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.895 4.532 6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.560 6.281 6.725 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.971 5.412 8.128 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.857 6.330 7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.605 7.351 8.560 1.00 0.00 H new ATOM 0 HE ARG A 79 6.797 4.674 9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.810 8.055 9.843 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.268 8.004 11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.387 4.615 11.964 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.029 6.064 12.745 1.00 0.00 H new ATOM 1220 N PHE A 80 5.148 2.386 8.990 1.00 0.00 N ATOM 1221 CA PHE A 80 4.497 2.116 10.266 1.00 0.00 C ATOM 1222 C PHE A 80 4.924 3.132 11.321 1.00 0.00 C ATOM 1223 O PHE A 80 5.903 3.857 11.141 1.00 0.00 O ATOM 1224 CB PHE A 80 4.828 0.700 10.742 1.00 0.00 C ATOM 1225 CG PHE A 80 3.806 -0.323 10.336 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.452 -0.069 10.488 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.199 -1.540 9.801 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.509 -1.008 10.115 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.260 -2.482 9.426 1.00 0.00 C ATOM 1230 CZ PHE A 80 1.914 -2.217 9.584 1.00 0.00 C ATOM 0 H PHE A 80 6.102 2.031 8.920 1.00 0.00 H new ATOM 0 HA PHE A 80 3.420 2.201 10.121 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.800 0.409 10.343 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.917 0.702 11.828 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.130 0.875 10.903 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.250 -1.754 9.676 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.457 -0.797 10.239 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.579 -3.426 9.009 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.180 -2.953 9.293 1.00 0.00 H new ATOM 1240 N LYS A 81 4.183 3.179 12.423 1.00 0.00 N ATOM 1241 CA LYS A 81 4.484 4.105 13.508 1.00 0.00 C ATOM 1242 C LYS A 81 5.685 3.624 14.317 1.00 0.00 C ATOM 1243 O LYS A 81 6.157 4.318 15.217 1.00 0.00 O ATOM 1244 CB LYS A 81 3.268 4.261 14.425 1.00 0.00 C ATOM 1245 CG LYS A 81 3.580 4.965 15.734 1.00 0.00 C ATOM 1246 CD LYS A 81 3.967 3.976 16.821 1.00 0.00 C ATOM 1247 CE LYS A 81 2.744 3.294 17.415 1.00 0.00 C ATOM 1248 NZ LYS A 81 1.876 4.255 18.151 1.00 0.00 N ATOM 0 H LYS A 81 3.369 2.586 12.588 1.00 0.00 H new ATOM 0 HA LYS A 81 4.728 5.073 13.069 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.495 4.819 13.897 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.858 3.275 14.641 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.392 5.675 15.581 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.711 5.539 16.056 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.639 3.224 16.408 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.514 4.495 17.608 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.169 2.822 16.619 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.063 2.501 18.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.286 3.738 18.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.470 4.942 18.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.265 4.758 17.476 1.00 0.00 H new ATOM 1262 N SER A 82 6.175 2.433 13.988 1.00 0.00 N ATOM 1263 CA SER A 82 7.319 1.858 14.686 1.00 0.00 C ATOM 1264 C SER A 82 8.530 1.770 13.761 1.00 0.00 C ATOM 1265 O SER A 82 9.658 1.578 14.215 1.00 0.00 O ATOM 1266 CB SER A 82 6.971 0.469 15.223 1.00 0.00 C ATOM 1267 OG SER A 82 8.131 -0.210 15.671 1.00 0.00 O ATOM 0 H SER A 82 5.798 1.848 13.243 1.00 0.00 H new ATOM 0 HA SER A 82 7.569 2.510 15.523 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.260 0.561 16.044 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.483 -0.114 14.442 1.00 0.00 H new ATOM 0 HG SER A 82 7.881 -1.095 16.011 1.00 0.00 H new ATOM 1273 N TRP A 83 8.287 1.911 12.464 1.00 0.00 N ATOM 1274 CA TRP A 83 9.357 1.847 11.474 1.00 0.00 C ATOM 1275 C TRP A 83 10.470 2.833 11.812 1.00 0.00 C ATOM 1276 O TRP A 83 10.260 3.829 12.504 1.00 0.00 O ATOM 1277 CB TRP A 83 8.806 2.139 10.078 1.00 0.00 C ATOM 1278 CG TRP A 83 8.303 0.918 9.370 1.00 0.00 C ATOM 1279 CD1 TRP A 83 7.992 -0.287 9.934 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.055 0.782 7.966 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.566 -1.163 8.965 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.595 -0.532 7.750 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.176 1.642 6.871 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.257 -1.003 6.484 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 7.840 1.173 5.616 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.384 -0.139 5.430 1.00 0.00 C ATOM 0 H TRP A 83 7.359 2.070 12.072 1.00 0.00 H new ATOM 0 HA TRP A 83 9.773 0.840 11.489 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.995 2.863 10.160 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.588 2.603 9.476 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.070 -0.517 10.986 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.275 -2.127 9.125 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.526 2.655 7.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 6.907 -2.014 6.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.930 1.829 4.763 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.128 -0.475 4.436 1.00 0.00 H new ATOM 1333 N HIS A 87 11.933 6.547 7.463 1.00 0.00 N ATOM 1334 CA HIS A 87 11.938 5.396 6.567 1.00 0.00 C ATOM 1335 C HIS A 87 10.542 5.138 6.007 1.00 0.00 C ATOM 1336 O HIS A 87 9.656 4.660 6.716 1.00 0.00 O ATOM 1337 CB HIS A 87 12.443 4.153 7.301 1.00 0.00 C ATOM 1338 CG HIS A 87 12.904 3.062 6.384 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.231 2.849 6.076 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.206 2.120 5.708 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.329 1.823 5.249 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.115 1.363 5.011 1.00 0.00 N ATOM 0 HA HIS A 87 12.609 5.616 5.737 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.266 4.438 7.956 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.646 3.769 7.938 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.134 1.988 5.715 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.246 1.428 4.838 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.889 0.573 4.407 1.00 0.00 H new ATOM 1351 N PHE A 88 10.353 5.459 4.732 1.00 0.00 N ATOM 1352 CA PHE A 88 9.064 5.264 4.077 1.00 0.00 C ATOM 1353 C PHE A 88 9.215 4.409 2.823 1.00 0.00 C ATOM 1354 O PHE A 88 10.325 4.187 2.340 1.00 0.00 O ATOM 1355 CB PHE A 88 8.443 6.615 3.715 1.00 0.00 C ATOM 1356 CG PHE A 88 8.083 7.449 4.911 1.00 0.00 C ATOM 1357 CD1 PHE A 88 9.071 8.010 5.704 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.756 7.671 5.244 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.744 8.779 6.805 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.423 8.439 6.343 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.417 8.992 7.126 1.00 0.00 C ATOM 0 H PHE A 88 11.076 5.855 4.131 1.00 0.00 H new ATOM 0 HA PHE A 88 8.406 4.744 4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.142 7.172 3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.547 6.446 3.117 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.110 7.844 5.459 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.974 7.239 4.638 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.524 9.213 7.413 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.385 8.607 6.590 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.158 9.590 7.987 1.00 0.00 H new ATOM 1371 N ALA A 89 8.091 3.931 2.301 1.00 0.00 N ATOM 1372 CA ALA A 89 8.097 3.101 1.103 1.00 0.00 C ATOM 1373 C ALA A 89 7.243 3.721 0.001 1.00 0.00 C ATOM 1374 O ALA A 89 6.111 4.142 0.241 1.00 0.00 O ATOM 1375 CB ALA A 89 7.604 1.699 1.429 1.00 0.00 C ATOM 0 H ALA A 89 7.164 4.104 2.689 1.00 0.00 H new ATOM 0 HA ALA A 89 9.123 3.038 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.614 1.090 0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.257 1.249 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.588 1.752 1.819 1.00 0.00 H new ATOM 1381 N THR A 90 7.794 3.774 -1.208 1.00 0.00 N ATOM 1382 CA THR A 90 7.084 4.345 -2.346 1.00 0.00 C ATOM 1383 C THR A 90 6.027 3.381 -2.873 1.00 0.00 C ATOM 1384 O THR A 90 6.352 2.349 -3.460 1.00 0.00 O ATOM 1385 CB THR A 90 8.052 4.703 -3.489 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.133 5.495 -2.986 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.329 5.464 -4.591 1.00 0.00 C ATOM 0 H THR A 90 8.729 3.429 -1.424 1.00 0.00 H new ATOM 0 HA THR A 90 6.599 5.255 -1.993 1.00 0.00 H new ATOM 0 HB THR A 90 8.445 3.776 -3.906 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.745 5.717 -3.719 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.032 5.706 -5.388 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.525 4.847 -4.992 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.911 6.385 -4.184 1.00 0.00 H new ATOM 1395 N ILE A 91 4.761 3.726 -2.662 1.00 0.00 N ATOM 1396 CA ILE A 91 3.656 2.892 -3.118 1.00 0.00 C ATOM 1397 C ILE A 91 2.888 3.567 -4.249 1.00 0.00 C ATOM 1398 O ILE A 91 2.572 4.755 -4.177 1.00 0.00 O ATOM 1399 CB ILE A 91 2.681 2.571 -1.970 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.264 1.482 -1.066 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.333 2.139 -2.526 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.500 1.921 -0.313 1.00 0.00 C ATOM 0 H ILE A 91 4.475 4.577 -2.178 1.00 0.00 H new ATOM 0 HA ILE A 91 4.093 1.962 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 91 2.535 3.472 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.504 1.170 -0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.508 0.610 -1.672 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.655 1.915 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.915 2.943 -3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.462 1.249 -3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.859 1.100 0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.277 2.206 -1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.257 2.774 0.320 1.00 0.00 H new ATOM 1414 N THR A 92 2.587 2.801 -5.293 1.00 0.00 N ATOM 1415 CA THR A 92 1.855 3.325 -6.439 1.00 0.00 C ATOM 1416 C THR A 92 0.692 2.413 -6.812 1.00 0.00 C ATOM 1417 O THR A 92 0.878 1.391 -7.474 1.00 0.00 O ATOM 1418 CB THR A 92 2.773 3.493 -7.664 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.731 4.529 -7.420 1.00 0.00 O ATOM 1420 CG2 THR A 92 1.963 3.827 -8.907 1.00 0.00 C ATOM 0 H THR A 92 2.839 1.815 -5.368 1.00 0.00 H new ATOM 0 HA THR A 92 1.469 4.302 -6.147 1.00 0.00 H new ATOM 0 HB THR A 92 3.293 2.550 -7.832 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.312 4.628 -8.203 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.634 3.941 -9.759 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.255 3.022 -9.107 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.418 4.758 -8.747 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.509 2.788 -6.384 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.704 2.003 -6.673 1.00 0.00 C ATOM 1430 C LEU A 93 -2.248 2.331 -8.060 1.00 0.00 C ATOM 1431 O LEU A 93 -1.866 3.331 -8.669 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.778 2.265 -5.617 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.517 1.672 -4.232 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.358 2.379 -3.180 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.802 0.177 -4.229 1.00 0.00 C ATOM 0 H LEU A 93 -0.681 3.631 -5.836 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.430 0.948 -6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.900 3.343 -5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.725 1.872 -5.986 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.465 1.822 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.158 1.943 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.104 3.439 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.415 2.262 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.611 -0.228 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.845 0.005 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.155 -0.318 -4.953 1.00 0.00 H new ATOM 1447 N THR A 94 -3.145 1.483 -8.554 1.00 0.00 N ATOM 1448 CA THR A 94 -3.743 1.683 -9.869 1.00 0.00 C ATOM 1449 C THR A 94 -5.129 1.054 -9.943 1.00 0.00 C ATOM 1450 O THR A 94 -5.346 -0.055 -9.454 1.00 0.00 O ATOM 1451 CB THR A 94 -2.861 1.089 -10.983 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.478 1.311 -10.684 1.00 0.00 O ATOM 1453 CG2 THR A 94 -3.200 1.709 -12.330 1.00 0.00 C ATOM 0 H THR A 94 -3.473 0.651 -8.063 1.00 0.00 H new ATOM 0 HA THR A 94 -3.827 2.759 -10.018 1.00 0.00 H new ATOM 0 HB THR A 94 -3.053 0.017 -11.036 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.924 0.929 -11.396 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.564 1.274 -13.101 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.245 1.513 -12.568 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.034 2.785 -12.287 1.00 0.00 H new ATOM 1461 N PHE A 95 -6.065 1.768 -10.559 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.432 1.279 -10.698 1.00 0.00 C ATOM 1463 C PHE A 95 -7.737 0.919 -12.149 1.00 0.00 C ATOM 1464 O PHE A 95 -7.647 1.763 -13.041 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.426 2.332 -10.203 1.00 0.00 C ATOM 1466 CG PHE A 95 -8.103 2.866 -8.837 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -7.004 3.688 -8.641 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.898 2.547 -7.748 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.704 4.180 -7.385 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.603 3.036 -6.489 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.505 3.855 -6.308 1.00 0.00 C ATOM 0 H PHE A 95 -5.902 2.687 -10.970 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.532 0.380 -10.090 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.449 3.160 -10.912 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.426 1.898 -10.188 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.375 3.947 -9.480 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.758 1.909 -7.884 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.844 4.818 -7.246 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.230 2.778 -5.648 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.274 4.240 -5.326 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.096 -0.340 -12.377 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.413 -0.812 -13.718 1.00 0.00 C ATOM 1483 C ILE A 96 -9.897 -1.138 -13.849 1.00 0.00 C ATOM 1484 O ILE A 96 -10.554 -1.494 -12.871 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.591 -2.062 -14.085 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.096 -1.781 -13.918 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -7.897 -2.498 -15.510 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.242 -3.030 -13.931 1.00 0.00 C ATOM 0 H ILE A 96 -8.174 -1.051 -11.650 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.158 -0.005 -14.405 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.868 -2.872 -13.411 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.768 -1.118 -14.718 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.937 -1.251 -12.979 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.308 -3.382 -15.754 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.958 -2.732 -15.599 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.644 -1.692 -16.199 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.194 -2.756 -13.808 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.544 -3.686 -13.114 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.372 -3.550 -14.880 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.419 -1.016 -15.065 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.825 -1.301 -15.326 1.00 0.00 C ATOM 1502 C ASP A 97 -11.997 -2.698 -15.914 1.00 0.00 C ATOM 1503 O ASP A 97 -11.304 -3.075 -16.859 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.411 -0.257 -16.278 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.669 -0.745 -16.969 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -14.624 -1.128 -16.261 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -13.699 -0.744 -18.217 1.00 0.00 O ATOM 0 H ASP A 97 -9.889 -0.722 -15.885 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.361 -1.258 -14.378 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.635 0.653 -15.721 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.666 0.005 -17.029 1.00 0.00 H new ATOM 1512 N LYS A 98 -12.925 -3.462 -15.349 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.189 -4.818 -15.817 1.00 0.00 C ATOM 1514 C LYS A 98 -14.672 -5.009 -16.122 1.00 0.00 C ATOM 1515 O LYS A 98 -15.147 -6.136 -16.255 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.738 -5.838 -14.770 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.314 -5.623 -14.285 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.315 -6.399 -15.127 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.082 -6.776 -14.321 1.00 0.00 C ATOM 1520 NZ LYS A 98 -8.058 -7.458 -15.160 1.00 0.00 N ATOM 0 H LYS A 98 -13.507 -3.166 -14.566 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.623 -4.975 -16.735 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.414 -5.793 -13.916 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.822 -6.840 -15.191 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.073 -4.561 -14.320 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.233 -5.934 -13.243 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.788 -7.301 -15.515 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.019 -5.799 -15.988 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.650 -5.879 -13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.372 -7.430 -13.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.108 -7.226 -14.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.203 -8.487 -15.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.147 -7.137 -16.145 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.396 -3.900 -16.233 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.825 -3.946 -16.524 1.00 0.00 C ATOM 1536 C ASN A 99 -17.608 -4.460 -15.320 1.00 0.00 C ATOM 1537 O ASN A 99 -18.424 -5.373 -15.440 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.091 -4.838 -17.738 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.295 -4.381 -18.539 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.166 -3.961 -19.689 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.473 -4.460 -17.932 1.00 0.00 N ATOM 0 H ASN A 99 -15.017 -2.959 -16.126 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.158 -2.932 -16.747 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.211 -4.843 -18.381 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.248 -5.864 -17.404 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.319 -4.166 -18.420 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.532 -4.815 -16.978 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.355 -3.865 -14.158 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.044 -4.275 -12.948 1.00 0.00 C ATOM 1550 C GLY A 100 -17.122 -4.336 -11.747 1.00 0.00 C ATOM 1551 O GLY A 100 -17.523 -4.007 -10.632 1.00 0.00 O ATOM 0 H GLY A 100 -16.685 -3.106 -14.033 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.857 -3.578 -12.743 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.496 -5.254 -13.105 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.883 -4.760 -11.975 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.902 -4.866 -10.901 1.00 0.00 C ATOM 1557 C GLU A 101 -13.682 -3.996 -11.191 1.00 0.00 C ATOM 1558 O GLU A 101 -13.488 -3.533 -12.316 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.471 -6.322 -10.715 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.627 -7.308 -10.752 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.176 -8.743 -10.559 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.114 -9.109 -11.105 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.884 -9.499 -9.863 1.00 0.00 O ATOM 0 H GLU A 101 -15.535 -5.036 -12.893 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.369 -4.513 -9.981 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.756 -6.583 -11.496 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.952 -6.420 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.345 -7.049 -9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.145 -7.219 -11.707 1.00 0.00 H new ATOM 1570 N THR A 102 -12.862 -3.777 -10.168 1.00 0.00 N ATOM 1571 CA THR A 102 -11.662 -2.962 -10.311 1.00 0.00 C ATOM 1572 C THR A 102 -10.430 -3.703 -9.803 1.00 0.00 C ATOM 1573 O THR A 102 -10.399 -4.164 -8.663 1.00 0.00 O ATOM 1574 CB THR A 102 -11.795 -1.629 -9.551 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.810 -0.820 -10.154 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.474 -0.875 -9.548 1.00 0.00 C ATOM 0 H THR A 102 -13.007 -4.153 -9.231 1.00 0.00 H new ATOM 0 HA THR A 102 -11.545 -2.755 -11.375 1.00 0.00 H new ATOM 0 HB THR A 102 -12.072 -1.850 -8.520 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.650 -1.323 -10.191 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.592 0.063 -9.006 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.710 -1.482 -9.062 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.172 -0.665 -10.574 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.418 -3.814 -10.658 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.184 -4.500 -10.294 1.00 0.00 C ATOM 1586 C GLU A 103 -7.168 -3.521 -9.712 1.00 0.00 C ATOM 1587 O GLU A 103 -6.556 -2.738 -10.439 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.587 -5.205 -11.513 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.335 -6.007 -11.201 1.00 0.00 C ATOM 1590 CD GLU A 103 -5.419 -6.150 -12.401 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -5.936 -6.273 -13.531 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -4.185 -6.138 -12.209 1.00 0.00 O ATOM 0 H GLU A 103 -9.428 -3.438 -11.606 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.424 -5.244 -9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.337 -5.870 -11.941 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.351 -4.460 -12.273 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.791 -5.524 -10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.621 -6.997 -10.847 1.00 0.00 H new ATOM 1599 N LEU A 104 -6.995 -3.570 -8.396 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.054 -2.688 -7.714 1.00 0.00 C ATOM 1601 C LEU A 104 -4.642 -3.264 -7.751 1.00 0.00 C ATOM 1602 O LEU A 104 -4.330 -4.215 -7.034 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.489 -2.468 -6.264 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.727 -1.391 -5.491 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -5.937 -0.026 -6.128 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -6.162 -1.374 -4.032 1.00 0.00 C ATOM 0 H LEU A 104 -7.494 -4.211 -7.779 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.050 -1.731 -8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.548 -2.210 -6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.388 -3.412 -5.728 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.663 -1.627 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.387 0.727 -5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.576 -0.045 -7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.999 0.219 -6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.610 -0.602 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.230 -1.163 -3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.958 -2.345 -3.580 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.793 -2.680 -8.589 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.413 -3.135 -8.719 1.00 0.00 C ATOM 1620 C CYS A 105 -1.477 -2.279 -7.872 1.00 0.00 C ATOM 1621 O CYS A 105 -1.004 -1.233 -8.316 1.00 0.00 O ATOM 1622 CB CYS A 105 -1.976 -3.094 -10.184 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.435 -3.979 -10.520 1.00 0.00 S ATOM 0 H CYS A 105 -4.035 -1.891 -9.188 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.360 -4.163 -8.361 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.768 -3.519 -10.800 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.859 -2.054 -10.488 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.150 -3.889 -11.785 1.00 0.00 H new ATOM 1629 N MET A 106 -1.214 -2.730 -6.650 1.00 0.00 N ATOM 1630 CA MET A 106 -0.335 -2.004 -5.741 1.00 0.00 C ATOM 1631 C MET A 106 1.128 -2.328 -6.026 1.00 0.00 C ATOM 1632 O MET A 106 1.496 -3.492 -6.182 1.00 0.00 O ATOM 1633 CB MET A 106 -0.672 -2.348 -4.288 1.00 0.00 C ATOM 1634 CG MET A 106 0.013 -1.444 -3.276 1.00 0.00 C ATOM 1635 SD MET A 106 1.793 -1.723 -3.188 1.00 0.00 S ATOM 1636 CE MET A 106 1.968 -2.264 -1.490 1.00 0.00 C ATOM 0 H MET A 106 -1.597 -3.594 -6.267 1.00 0.00 H new ATOM 0 HA MET A 106 -0.490 -0.937 -5.900 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.751 -2.284 -4.149 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.386 -3.381 -4.092 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.175 -0.403 -3.539 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.426 -1.609 -2.292 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.992 -2.594 -1.317 1.00 0.00 H new ATOM 0 HE2 MET A 106 1.735 -1.437 -0.819 1.00 0.00 H new ATOM 0 HE3 MET A 106 1.284 -3.091 -1.299 1.00 0.00 H new ATOM 1646 N GLU A 107 1.958 -1.291 -6.092 1.00 0.00 N ATOM 1647 CA GLU A 107 3.380 -1.467 -6.359 1.00 0.00 C ATOM 1648 C GLU A 107 4.223 -0.683 -5.357 1.00 0.00 C ATOM 1649 O GLU A 107 4.440 0.517 -5.516 1.00 0.00 O ATOM 1650 CB GLU A 107 3.713 -1.018 -7.784 1.00 0.00 C ATOM 1651 CG GLU A 107 4.909 -1.737 -8.384 1.00 0.00 C ATOM 1652 CD GLU A 107 5.584 -0.933 -9.478 1.00 0.00 C ATOM 1653 OE1 GLU A 107 4.869 -0.239 -10.231 1.00 0.00 O ATOM 1654 OE2 GLU A 107 6.827 -0.998 -9.582 1.00 0.00 O ATOM 0 H GLU A 107 1.670 -0.321 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 107 3.615 -2.526 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.844 -1.183 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.908 0.054 -7.782 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.632 -1.951 -7.597 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.586 -2.696 -8.789 1.00 0.00 H new ATOM 1661 N GLY A 108 4.696 -1.373 -4.323 1.00 0.00 N ATOM 1662 CA GLY A 108 5.509 -0.726 -3.310 1.00 0.00 C ATOM 1663 C GLY A 108 6.959 -1.162 -3.365 1.00 0.00 C ATOM 1664 O GLY A 108 7.252 -2.346 -3.537 1.00 0.00 O ATOM 0 H GLY A 108 4.531 -2.368 -4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.453 0.355 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.102 -0.951 -2.324 1.00 0.00 H new ATOM 1668 N ARG A 109 7.870 -0.205 -3.220 1.00 0.00 N ATOM 1669 CA ARG A 109 9.298 -0.497 -3.257 1.00 0.00 C ATOM 1670 C ARG A 109 10.043 0.299 -2.190 1.00 0.00 C ATOM 1671 O ARG A 109 10.120 1.525 -2.255 1.00 0.00 O ATOM 1672 CB ARG A 109 9.870 -0.176 -4.640 1.00 0.00 C ATOM 1673 CG ARG A 109 9.618 1.255 -5.086 1.00 0.00 C ATOM 1674 CD ARG A 109 9.520 1.358 -6.600 1.00 0.00 C ATOM 1675 NE ARG A 109 10.819 1.620 -7.215 1.00 0.00 N ATOM 1676 CZ ARG A 109 11.678 0.665 -7.552 1.00 0.00 C ATOM 1677 NH1 ARG A 109 11.379 -0.609 -7.335 1.00 0.00 N ATOM 1678 NH2 ARG A 109 12.841 0.982 -8.108 1.00 0.00 N ATOM 0 H ARG A 109 7.644 0.779 -3.076 1.00 0.00 H new ATOM 0 HA ARG A 109 9.432 -1.559 -3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.944 -0.361 -4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.435 -0.857 -5.371 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.696 1.621 -4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.424 1.896 -4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.109 0.431 -7.001 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.826 2.155 -6.865 1.00 0.00 H new ATOM 0 HE ARG A 109 11.080 2.589 -7.395 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.487 -0.858 -6.908 1.00 0.00 H new ATOM 0 HH12 ARG A 109 12.041 -1.340 -7.595 1.00 0.00 H new ATOM 0 HH21 ARG A 109 13.076 1.960 -8.277 1.00 0.00 H new ATOM 0 HH22 ARG A 109 13.500 0.247 -8.366 1.00 0.00 H new ATOM 1692 N GLY A 110 10.590 -0.409 -1.206 1.00 0.00 N ATOM 1693 CA GLY A 110 11.321 0.248 -0.138 1.00 0.00 C ATOM 1694 C GLY A 110 10.909 -0.245 1.235 1.00 0.00 C ATOM 1695 O GLY A 110 11.281 0.344 2.251 1.00 0.00 O ATOM 0 H GLY A 110 10.540 -1.425 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.389 0.080 -0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.158 1.324 -0.198 1.00 0.00 H new ATOM 1699 N ILE A 111 10.139 -1.327 1.267 1.00 0.00 N ATOM 1700 CA ILE A 111 9.675 -1.898 2.525 1.00 0.00 C ATOM 1701 C ILE A 111 10.800 -2.640 3.239 1.00 0.00 C ATOM 1702 O ILE A 111 11.428 -3.545 2.688 1.00 0.00 O ATOM 1703 CB ILE A 111 8.496 -2.864 2.305 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.220 -2.082 1.990 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.297 -3.743 3.531 1.00 0.00 C ATOM 1706 CD1 ILE A 111 7.082 -1.713 0.530 1.00 0.00 C ATOM 0 H ILE A 111 9.823 -1.826 0.435 1.00 0.00 H new ATOM 0 HA ILE A 111 9.340 -1.066 3.145 1.00 0.00 H new ATOM 0 HB ILE A 111 8.725 -3.506 1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.356 -2.676 2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.204 -1.172 2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.460 -4.421 3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.202 -4.323 3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.086 -3.116 4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.154 -1.160 0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.926 -1.092 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 111 7.066 -2.620 -0.075 1.00 0.00 H new ATOM 1718 N PRO A 112 11.061 -2.251 4.496 1.00 0.00 N ATOM 1719 CA PRO A 112 12.109 -2.868 5.314 1.00 0.00 C ATOM 1720 C PRO A 112 12.046 -4.392 5.284 1.00 0.00 C ATOM 1721 O PRO A 112 11.035 -4.988 5.654 1.00 0.00 O ATOM 1722 CB PRO A 112 11.812 -2.348 6.723 1.00 0.00 C ATOM 1723 CG PRO A 112 11.100 -1.057 6.508 1.00 0.00 C ATOM 1724 CD PRO A 112 10.352 -1.180 5.216 1.00 0.00 C ATOM 0 HA PRO A 112 13.107 -2.618 4.954 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.196 -3.051 7.283 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.730 -2.204 7.293 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.416 -0.852 7.332 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.807 -0.229 6.467 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.306 -1.436 5.383 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.366 -0.245 4.656 1.00 0.00 H new ATOM 1732 N ALA A 113 13.134 -5.015 4.843 1.00 0.00 N ATOM 1733 CA ALA A 113 13.202 -6.470 4.768 1.00 0.00 C ATOM 1734 C ALA A 113 12.737 -7.109 6.072 1.00 0.00 C ATOM 1735 O ALA A 113 11.963 -8.067 6.080 1.00 0.00 O ATOM 1736 CB ALA A 113 14.619 -6.914 4.435 1.00 0.00 C ATOM 0 H ALA A 113 13.979 -4.536 4.533 1.00 0.00 H new ATOM 0 HA ALA A 113 12.533 -6.801 3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.656 -8.002 4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.916 -6.493 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.301 -6.565 5.210 1.00 0.00 H new ATOM 1742 N PRO A 114 13.220 -6.570 7.201 1.00 0.00 N ATOM 1743 CA PRO A 114 12.867 -7.074 8.532 1.00 0.00 C ATOM 1744 C PRO A 114 11.359 -7.101 8.760 1.00 0.00 C ATOM 1745 O PRO A 114 10.848 -7.953 9.486 1.00 0.00 O ATOM 1746 CB PRO A 114 13.533 -6.072 9.478 1.00 0.00 C ATOM 1747 CG PRO A 114 14.657 -5.495 8.689 1.00 0.00 C ATOM 1748 CD PRO A 114 14.147 -5.428 7.266 1.00 0.00 C ATOM 0 HA PRO A 114 13.195 -8.103 8.679 1.00 0.00 H new ATOM 0 HB2 PRO A 114 12.832 -5.299 9.793 1.00 0.00 H new ATOM 0 HB3 PRO A 114 13.895 -6.561 10.382 1.00 0.00 H new ATOM 0 HG2 PRO A 114 14.930 -4.506 9.057 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.549 -6.118 8.759 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.642 -4.484 7.061 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.956 -5.521 6.541 1.00 0.00 H new ATOM 1756 N GLU A 115 10.654 -6.164 8.135 1.00 0.00 N ATOM 1757 CA GLU A 115 9.204 -6.081 8.272 1.00 0.00 C ATOM 1758 C GLU A 115 8.514 -6.410 6.951 1.00 0.00 C ATOM 1759 O GLU A 115 7.299 -6.263 6.821 1.00 0.00 O ATOM 1760 CB GLU A 115 8.792 -4.684 8.741 1.00 0.00 C ATOM 1761 CG GLU A 115 9.453 -4.260 10.042 1.00 0.00 C ATOM 1762 CD GLU A 115 8.659 -4.679 11.263 1.00 0.00 C ATOM 1763 OE1 GLU A 115 8.758 -5.859 11.660 1.00 0.00 O ATOM 1764 OE2 GLU A 115 7.939 -3.826 11.823 1.00 0.00 O ATOM 0 H GLU A 115 11.062 -5.452 7.529 1.00 0.00 H new ATOM 0 HA GLU A 115 8.893 -6.813 9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.041 -3.961 7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.710 -4.657 8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.451 -4.694 10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.575 -3.177 10.047 1.00 0.00 H new ATOM 1771 N GLU A 116 9.298 -6.857 5.975 1.00 0.00 N ATOM 1772 CA GLU A 116 8.763 -7.205 4.665 1.00 0.00 C ATOM 1773 C GLU A 116 7.466 -7.999 4.800 1.00 0.00 C ATOM 1774 O GLU A 116 6.491 -7.738 4.098 1.00 0.00 O ATOM 1775 CB GLU A 116 9.788 -8.015 3.868 1.00 0.00 C ATOM 1776 CG GLU A 116 9.287 -8.460 2.505 1.00 0.00 C ATOM 1777 CD GLU A 116 10.382 -9.068 1.651 1.00 0.00 C ATOM 1778 OE1 GLU A 116 11.570 -8.847 1.963 1.00 0.00 O ATOM 1779 OE2 GLU A 116 10.050 -9.766 0.670 1.00 0.00 O ATOM 0 H GLU A 116 10.306 -6.986 6.067 1.00 0.00 H new ATOM 0 HA GLU A 116 8.549 -6.279 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.689 -7.416 3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.072 -8.894 4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.487 -9.189 2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.857 -7.605 1.983 1.00 0.00 H new ATOM 1786 N GLU A 117 7.466 -8.970 5.709 1.00 0.00 N ATOM 1787 CA GLU A 117 6.291 -9.802 5.935 1.00 0.00 C ATOM 1788 C GLU A 117 5.232 -9.045 6.731 1.00 0.00 C ATOM 1789 O GLU A 117 4.144 -8.765 6.228 1.00 0.00 O ATOM 1790 CB GLU A 117 6.681 -11.084 6.675 1.00 0.00 C ATOM 1791 CG GLU A 117 5.563 -12.110 6.746 1.00 0.00 C ATOM 1792 CD GLU A 117 6.066 -13.498 7.090 1.00 0.00 C ATOM 1793 OE1 GLU A 117 7.242 -13.795 6.790 1.00 0.00 O ATOM 1794 OE2 GLU A 117 5.284 -14.288 7.659 1.00 0.00 O ATOM 0 H GLU A 117 8.266 -9.199 6.299 1.00 0.00 H new ATOM 0 HA GLU A 117 5.872 -10.064 4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.543 -11.532 6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 117 6.993 -10.828 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 117 4.834 -11.796 7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.044 -12.143 5.788 1.00 0.00 H new ATOM 1801 N ARG A 118 5.560 -8.716 7.977 1.00 0.00 N ATOM 1802 CA ARG A 118 4.637 -7.993 8.844 1.00 0.00 C ATOM 1803 C ARG A 118 3.787 -7.016 8.038 1.00 0.00 C ATOM 1804 O ARG A 118 2.558 -7.033 8.117 1.00 0.00 O ATOM 1805 CB ARG A 118 5.409 -7.239 9.929 1.00 0.00 C ATOM 1806 CG ARG A 118 4.534 -6.333 10.780 1.00 0.00 C ATOM 1807 CD ARG A 118 5.302 -5.115 11.267 1.00 0.00 C ATOM 1808 NE ARG A 118 4.680 -4.509 12.442 1.00 0.00 N ATOM 1809 CZ ARG A 118 4.885 -4.934 13.684 1.00 0.00 C ATOM 1810 NH1 ARG A 118 5.691 -5.962 13.912 1.00 0.00 N ATOM 1811 NH2 ARG A 118 4.282 -4.331 14.700 1.00 0.00 N ATOM 0 H ARG A 118 6.457 -8.939 8.408 1.00 0.00 H new ATOM 0 HA ARG A 118 3.976 -8.720 9.316 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.908 -7.960 10.576 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.189 -6.640 9.459 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.669 -6.011 10.200 1.00 0.00 H new ATOM 0 HG3 ARG A 118 4.154 -6.891 11.636 1.00 0.00 H new ATOM 0 HD2 ARG A 118 6.325 -5.404 11.507 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.358 -4.378 10.466 1.00 0.00 H new ATOM 0 HE ARG A 118 4.054 -3.716 12.301 1.00 0.00 H new ATOM 0 HH11 ARG A 118 6.155 -6.429 13.133 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.847 -6.286 14.867 1.00 0.00 H new ATOM 0 HH21 ARG A 118 3.661 -3.541 14.528 1.00 0.00 H new ATOM 0 HH22 ARG A 118 4.440 -4.658 15.653 1.00 0.00 H new ATOM 1825 N THR A 119 4.449 -6.163 7.261 1.00 0.00 N ATOM 1826 CA THR A 119 3.754 -5.178 6.442 1.00 0.00 C ATOM 1827 C THR A 119 2.653 -5.830 5.614 1.00 0.00 C ATOM 1828 O THR A 119 1.467 -5.604 5.854 1.00 0.00 O ATOM 1829 CB THR A 119 4.727 -4.447 5.498 1.00 0.00 C ATOM 1830 OG1 THR A 119 5.876 -4.002 6.227 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.048 -3.257 4.837 1.00 0.00 C ATOM 0 H THR A 119 5.466 -6.135 7.182 1.00 0.00 H new ATOM 0 HA THR A 119 3.310 -4.454 7.126 1.00 0.00 H new ATOM 0 HB THR A 119 5.038 -5.146 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.505 -4.746 6.332 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.755 -2.756 4.175 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.191 -3.602 4.259 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.711 -2.559 5.603 1.00 0.00 H new ATOM 1839 N ARG A 120 3.053 -6.639 4.639 1.00 0.00 N ATOM 1840 CA ARG A 120 2.098 -7.323 3.774 1.00 0.00 C ATOM 1841 C ARG A 120 1.025 -8.027 4.599 1.00 0.00 C ATOM 1842 O ARG A 120 -0.145 -8.055 4.217 1.00 0.00 O ATOM 1843 CB ARG A 120 2.820 -8.337 2.885 1.00 0.00 C ATOM 1844 CG ARG A 120 2.165 -8.530 1.526 1.00 0.00 C ATOM 1845 CD ARG A 120 3.051 -9.338 0.591 1.00 0.00 C ATOM 1846 NE ARG A 120 2.275 -10.038 -0.429 1.00 0.00 N ATOM 1847 CZ ARG A 120 2.746 -11.054 -1.143 1.00 0.00 C ATOM 1848 NH1 ARG A 120 3.985 -11.486 -0.950 1.00 0.00 N ATOM 1849 NH2 ARG A 120 1.979 -11.640 -2.053 1.00 0.00 N ATOM 0 H ARG A 120 4.031 -6.837 4.428 1.00 0.00 H new ATOM 0 HA ARG A 120 1.615 -6.576 3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.850 -8.012 2.740 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.859 -9.297 3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.208 -9.037 1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 120 1.955 -7.558 1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.769 -8.675 0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.625 -10.062 1.170 1.00 0.00 H new ATOM 0 HE ARG A 120 1.318 -9.730 -0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 120 4.578 -11.038 -0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 120 4.344 -12.266 -1.500 1.00 0.00 H new ATOM 0 HH21 ARG A 120 1.026 -11.310 -2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 120 2.342 -12.420 -2.600 1.00 0.00 H new ATOM 1863 N GLN A 121 1.432 -8.593 5.730 1.00 0.00 N ATOM 1864 CA GLN A 121 0.505 -9.298 6.608 1.00 0.00 C ATOM 1865 C GLN A 121 -0.530 -8.339 7.189 1.00 0.00 C ATOM 1866 O GLN A 121 -1.676 -8.718 7.427 1.00 0.00 O ATOM 1867 CB GLN A 121 1.267 -9.991 7.739 1.00 0.00 C ATOM 1868 CG GLN A 121 2.246 -11.048 7.254 1.00 0.00 C ATOM 1869 CD GLN A 121 2.435 -12.171 8.255 1.00 0.00 C ATOM 1870 OE1 GLN A 121 2.357 -11.959 9.466 1.00 0.00 O ATOM 1871 NE2 GLN A 121 2.685 -13.375 7.754 1.00 0.00 N ATOM 0 H GLN A 121 2.397 -8.577 6.060 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.015 -10.051 6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.810 -9.240 8.313 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.551 -10.455 8.418 1.00 0.00 H new ATOM 0 HG2 GLN A 121 1.889 -11.463 6.311 1.00 0.00 H new ATOM 0 HG3 GLN A 121 3.210 -10.580 7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.741 -13.506 6.744 1.00 0.00 H new ATOM 0 HE22 GLN A 121 2.821 -14.169 8.379 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.117 -7.096 7.415 1.00 0.00 N ATOM 1881 CA GLY A 122 -1.020 -6.103 7.966 1.00 0.00 C ATOM 1882 C GLY A 122 -1.322 -4.986 6.987 1.00 0.00 C ATOM 1883 O GLY A 122 -1.766 -3.908 7.382 1.00 0.00 O ATOM 0 H GLY A 122 0.827 -6.759 7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.952 -6.587 8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.582 -5.681 8.870 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.078 -5.242 5.707 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.325 -4.248 4.668 1.00 0.00 C ATOM 1889 C TRP A 123 -2.713 -4.428 4.062 1.00 0.00 C ATOM 1890 O TRP A 123 -3.587 -3.578 4.230 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.260 -4.348 3.575 1.00 0.00 C ATOM 1892 CG TRP A 123 0.082 -3.027 2.957 1.00 0.00 C ATOM 1893 CD1 TRP A 123 1.038 -2.147 3.379 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.530 -2.434 1.806 1.00 0.00 C ATOM 1895 NE1 TRP A 123 1.056 -1.044 2.561 1.00 0.00 N ATOM 1896 CE2 TRP A 123 0.105 -1.196 1.587 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.551 -2.830 0.938 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.250 -0.353 0.538 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -1.902 -1.992 -0.104 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.253 -0.766 -0.297 1.00 0.00 C ATOM 0 H TRP A 123 -0.710 -6.129 5.363 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.274 -3.260 5.125 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.643 -4.788 3.997 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.611 -5.025 2.796 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.685 -2.297 4.231 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.677 -0.241 2.662 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.057 -3.774 1.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.248 0.593 0.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.690 -2.288 -0.781 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.550 -0.134 -1.121 1.00 0.00 H new ATOM 1911 N GLN A 124 -2.907 -5.538 3.358 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.189 -5.827 2.727 1.00 0.00 C ATOM 1913 C GLN A 124 -5.269 -6.072 3.776 1.00 0.00 C ATOM 1914 O GLN A 124 -6.440 -5.757 3.560 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.067 -7.045 1.810 1.00 0.00 C ATOM 1916 CG GLN A 124 -2.963 -6.918 0.773 1.00 0.00 C ATOM 1917 CD GLN A 124 -1.619 -7.391 1.290 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -0.652 -6.630 1.325 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.552 -8.654 1.696 1.00 0.00 N ATOM 0 H GLN A 124 -2.193 -6.252 3.210 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.476 -4.960 2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.882 -7.930 2.418 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.017 -7.202 1.299 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.232 -7.496 -0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.882 -5.877 0.460 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -2.379 -9.249 1.649 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -0.674 -9.028 2.055 1.00 0.00 H new ATOM 1928 N ARG A 125 -4.869 -6.635 4.911 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.803 -6.923 5.992 1.00 0.00 C ATOM 1930 C ARG A 125 -6.713 -5.728 6.258 1.00 0.00 C ATOM 1931 O ARG A 125 -7.851 -5.887 6.699 1.00 0.00 O ATOM 1932 CB ARG A 125 -5.042 -7.292 7.267 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.771 -8.781 7.406 1.00 0.00 C ATOM 1934 CD ARG A 125 -4.251 -9.126 8.793 1.00 0.00 C ATOM 1935 NE ARG A 125 -3.416 -10.324 8.782 1.00 0.00 N ATOM 1936 CZ ARG A 125 -3.195 -11.075 9.855 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -3.744 -10.754 11.018 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -2.423 -12.151 9.765 1.00 0.00 N ATOM 0 H ARG A 125 -3.904 -6.901 5.106 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.421 -7.768 5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.093 -6.756 7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.613 -6.953 8.132 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.687 -9.338 7.211 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -4.043 -9.091 6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.676 -8.287 9.184 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -5.093 -9.277 9.469 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.979 -10.599 7.902 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.338 -9.928 11.091 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -3.572 -11.333 11.840 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -1.999 -12.401 8.872 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -2.254 -12.727 10.589 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.203 -4.531 5.986 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.968 -3.309 6.199 1.00 0.00 C ATOM 1954 C TYR A 126 -7.250 -2.606 4.874 1.00 0.00 C ATOM 1955 O TYR A 126 -8.354 -2.112 4.643 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.214 -2.366 7.138 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.458 -3.082 8.235 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.998 -4.198 8.863 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -4.205 -2.643 8.643 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -5.311 -4.855 9.866 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.511 -3.294 9.644 1.00 0.00 C ATOM 1962 CZ TYR A 126 -4.068 -4.399 10.253 1.00 0.00 C ATOM 1963 OH TYR A 126 -3.381 -5.051 11.251 1.00 0.00 O ATOM 0 H TYR A 126 -5.264 -4.382 5.618 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.919 -3.581 6.656 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.513 -1.770 6.554 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.923 -1.673 7.590 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.971 -4.558 8.562 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.766 -1.778 8.169 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.745 -5.721 10.344 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.537 -2.940 9.948 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.522 -4.604 11.403 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.244 -2.565 4.008 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.382 -1.922 2.707 1.00 0.00 C ATOM 1975 C TYR A 127 -7.520 -2.548 1.907 1.00 0.00 C ATOM 1976 O TYR A 127 -8.535 -1.904 1.641 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.073 -2.028 1.921 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.247 -0.762 1.948 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -3.941 -0.134 3.150 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.770 -0.195 0.773 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.186 1.023 3.179 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -3.014 0.961 0.793 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.725 1.566 1.998 1.00 0.00 C ATOM 1984 OH TYR A 127 -1.972 2.718 2.023 1.00 0.00 O ATOM 0 H TYR A 127 -5.324 -2.969 4.183 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.615 -0.870 2.873 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.480 -2.847 2.327 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.300 -2.282 0.886 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.299 -0.558 4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -3.994 -0.666 -0.173 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.958 1.499 4.121 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.651 1.389 -0.130 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.285 2.645 2.718 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.343 -3.808 1.526 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.355 -4.523 0.756 1.00 0.00 C ATOM 1996 C PHE A 128 -9.286 -5.307 1.677 1.00 0.00 C ATOM 1997 O PHE A 128 -10.456 -4.960 1.832 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.689 -5.473 -0.243 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.445 -4.910 -0.867 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.246 -3.540 -0.935 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.474 -5.750 -1.387 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.102 -3.019 -1.509 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.327 -5.234 -1.962 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.142 -3.867 -2.024 1.00 0.00 C ATOM 0 H PHE A 128 -6.509 -4.356 1.737 1.00 0.00 H new ATOM 0 HA PHE A 128 -8.947 -3.788 0.210 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.441 -6.406 0.264 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.402 -5.718 -1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -6.994 -2.872 -0.535 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -5.614 -6.820 -1.343 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -4.959 -1.949 -1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -3.577 -5.900 -2.362 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.248 -3.462 -2.475 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.757 -6.364 2.283 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.541 -7.198 3.187 1.00 0.00 C ATOM 2016 C GLU A 129 -10.593 -6.368 3.917 1.00 0.00 C ATOM 2017 O GLU A 129 -11.737 -6.794 4.073 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.627 -7.888 4.202 1.00 0.00 C ATOM 2019 CG GLU A 129 -7.721 -8.942 3.586 1.00 0.00 C ATOM 2020 CD GLU A 129 -8.478 -10.186 3.162 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -9.247 -10.106 2.181 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -8.301 -11.239 3.810 1.00 0.00 O ATOM 0 H GLU A 129 -7.789 -6.664 2.165 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.049 -7.957 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.012 -7.135 4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.240 -8.354 4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -7.213 -8.518 2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -6.950 -9.218 4.305 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.197 -5.179 4.363 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.117 -4.309 5.071 1.00 0.00 C ATOM 2031 C GLY A 130 -12.231 -3.794 4.181 1.00 0.00 C ATOM 2032 O GLY A 130 -13.391 -4.172 4.346 1.00 0.00 O ATOM 0 H GLY A 130 -9.256 -4.804 4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.550 -4.851 5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.567 -3.464 5.485 1.00 0.00 H new ATOM 2036 N ILE A 131 -11.879 -2.929 3.235 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.858 -2.363 2.317 1.00 0.00 C ATOM 2038 C ILE A 131 -13.766 -3.446 1.744 1.00 0.00 C ATOM 2039 O ILE A 131 -14.980 -3.265 1.643 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.175 -1.615 1.156 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.298 -0.483 1.696 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.216 -1.072 0.190 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.201 -0.062 0.744 1.00 0.00 C ATOM 0 H ILE A 131 -10.923 -2.606 3.085 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.457 -1.657 2.892 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.539 -2.316 0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -11.927 0.379 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.849 -0.800 2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.717 -0.546 -0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.802 -1.897 -0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -13.876 -0.383 0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.620 0.744 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.549 -0.912 0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -10.643 0.286 -0.190 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.170 -4.573 1.371 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.924 -5.689 0.811 1.00 0.00 C ATOM 2057 C LYS A 132 -15.072 -6.087 1.733 1.00 0.00 C ATOM 2058 O LYS A 132 -16.114 -6.554 1.275 1.00 0.00 O ATOM 2059 CB LYS A 132 -13.002 -6.888 0.579 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.142 -6.762 -0.666 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.088 -7.855 -0.729 1.00 0.00 C ATOM 2062 CE LYS A 132 -10.761 -8.232 -2.165 1.00 0.00 C ATOM 2063 NZ LYS A 132 -10.264 -9.632 -2.271 1.00 0.00 N ATOM 0 H LYS A 132 -12.166 -4.738 1.446 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.342 -5.370 -0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.354 -7.011 1.447 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.607 -7.791 0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.774 -6.813 -1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.657 -5.786 -0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.182 -7.518 -0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.443 -8.735 -0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -11.651 -8.115 -2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -10.008 -7.549 -2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -10.261 -9.925 -3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -9.297 -9.687 -1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -10.886 -10.263 -1.727 1.00 0.00 H new ATOM 2077 N GLN A 133 -14.873 -5.898 3.034 1.00 0.00 N ATOM 2078 CA GLN A 133 -15.893 -6.237 4.019 1.00 0.00 C ATOM 2079 C GLN A 133 -16.730 -5.014 4.379 1.00 0.00 C ATOM 2080 O GLN A 133 -17.955 -5.026 4.250 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.244 -6.814 5.278 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.282 -7.958 4.997 1.00 0.00 C ATOM 2083 CD GLN A 133 -14.955 -9.315 5.062 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -14.645 -10.134 5.927 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -15.883 -9.560 4.144 1.00 0.00 N ATOM 0 H GLN A 133 -14.016 -5.512 3.430 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.550 -6.988 3.581 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.709 -6.019 5.798 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.026 -7.165 5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -13.841 -7.822 4.010 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.465 -7.927 5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -16.109 -8.852 3.445 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -16.370 -10.456 4.138 1.00 0.00 H new ATOM 2094 N THR A 134 -16.062 -3.958 4.833 1.00 0.00 N ATOM 2095 CA THR A 134 -16.744 -2.727 5.213 1.00 0.00 C ATOM 2096 C THR A 134 -17.655 -2.235 4.094 1.00 0.00 C ATOM 2097 O THR A 134 -18.866 -2.112 4.275 1.00 0.00 O ATOM 2098 CB THR A 134 -15.740 -1.615 5.569 1.00 0.00 C ATOM 2099 OG1 THR A 134 -14.943 -2.015 6.690 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.462 -0.316 5.892 1.00 0.00 C ATOM 0 H THR A 134 -15.049 -3.931 4.946 1.00 0.00 H new ATOM 0 HA THR A 134 -17.345 -2.958 6.092 1.00 0.00 H new ATOM 0 HB THR A 134 -15.095 -1.449 4.706 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.024 -2.186 6.394 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.732 0.454 6.140 1.00 0.00 H new ATOM 0 HG22 THR A 134 -17.044 0.001 5.027 1.00 0.00 H new ATOM 0 HG23 THR A 134 -17.128 -0.471 6.741 1.00 0.00 H new ATOM 2108 N PHE A 135 -17.064 -1.955 2.937 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.823 -1.475 1.788 1.00 0.00 C ATOM 2110 C PHE A 135 -18.489 -2.635 1.054 1.00 0.00 C ATOM 2111 O PHE A 135 -19.502 -2.457 0.378 1.00 0.00 O ATOM 2112 CB PHE A 135 -16.909 -0.708 0.831 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.411 0.594 1.391 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.662 0.620 2.556 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.691 1.791 0.752 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.203 1.816 3.074 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.235 2.990 1.265 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.489 3.003 2.427 1.00 0.00 C ATOM 0 H PHE A 135 -16.062 -2.052 2.770 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.601 -0.804 2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -16.055 -1.335 0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.449 -0.513 -0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.434 -0.305 3.065 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.273 1.787 -0.158 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.621 1.823 3.984 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.462 3.916 0.758 1.00 0.00 H new ATOM 0 HZ PHE A 135 -15.130 3.939 2.829 1.00 0.00 H new ATOM 2128 N GLY A 136 -17.911 -3.825 1.191 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.461 -4.996 0.535 1.00 0.00 C ATOM 2130 C GLY A 136 -17.956 -5.156 -0.885 1.00 0.00 C ATOM 2131 O GLY A 136 -18.675 -5.649 -1.756 1.00 0.00 O ATOM 0 H GLY A 136 -17.072 -3.998 1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.205 -5.885 1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.549 -4.926 0.525 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.718 -4.738 -1.122 1.00 0.00 N ATOM 2136 CA TYR A 137 -16.119 -4.833 -2.448 1.00 0.00 C ATOM 2137 C TYR A 137 -15.311 -6.120 -2.589 1.00 0.00 C ATOM 2138 O TYR A 137 -14.327 -6.171 -3.327 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.222 -3.623 -2.713 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.944 -2.299 -2.606 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.323 -2.223 -2.756 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.247 -1.124 -2.354 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -17.987 -1.016 -2.660 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.903 0.088 -2.255 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.273 0.137 -2.408 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.930 1.342 -2.311 1.00 0.00 O ATOM 0 H TYR A 137 -16.109 -4.330 -0.413 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.924 -4.848 -3.183 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.393 -3.634 -2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.791 -3.713 -3.710 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.886 -3.124 -2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.174 -1.158 -2.233 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -19.059 -0.975 -2.782 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.346 0.992 -2.059 1.00 0.00 H new ATOM 0 HH TYR A 137 -18.686 1.253 -1.694 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.735 -7.159 -1.876 1.00 0.00 N ATOM 2157 CA GLY A 138 -15.042 -8.432 -1.936 1.00 0.00 C ATOM 2158 C GLY A 138 -15.860 -9.507 -2.624 1.00 0.00 C ATOM 2159 O GLY A 138 -17.086 -9.416 -2.690 1.00 0.00 O ATOM 0 H GLY A 138 -16.546 -7.141 -1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -14.098 -8.303 -2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.798 -8.757 -0.925 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.182 -10.527 -3.139 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.854 -11.623 -3.825 1.00 0.00 C ATOM 2165 C ALA A 139 -16.284 -12.706 -2.840 1.00 0.00 C ATOM 2166 O ALA A 139 -17.398 -13.222 -2.918 1.00 0.00 O ATOM 2167 CB ALA A 139 -14.947 -12.211 -4.896 1.00 0.00 C ATOM 0 H ALA A 139 -14.167 -10.617 -3.094 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.750 -11.225 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.462 -13.029 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -14.694 -11.439 -5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.034 -12.587 -4.434 1.00 0.00 H new