USER MOD reduce.3.24.130724 H: found=0, std=0, add=1019, rem=0, adj=33 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 54:sc= 1.07 USER MOD Set 2.1: A 33 GLN : amide:sc= -2.65! C(o=-2.7!,f=-3.6!) USER MOD Set 2.2: A 37 GLN :FLIP amide:sc= -0.0823 F(o=-3.7,f=-2.7) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -35:sc= -2.42 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -132:sc= -0.697 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 90:sc= -0.82 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 62:sc= 0.638 USER MOD Single : A 31 THR OG1 : rot -118:sc= 0.122 USER MOD Single : A 32 THR OG1 : rot -140:sc= -0.202 USER MOD Single : A 40 THR OG1 : rot -57:sc= -0.469 USER MOD Single : A 41 HIS : no HD1:sc= -0.065 X(o=-0.065,f=-0.14) 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 HE2:sc= -4.73! C(o=-4.7!,f=-9.2!) USER MOD Single : A 56 MET CE :methyl -175:sc= 0 (180deg=-0.0221) USER MOD Single : A 60 ASN : amide:sc= 0.165 X(o=0.16,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -6:sc= 0.155 USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= -0.0668 (180deg=-0.383) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -6.89! C(o=-12!,f=-6.9!) USER MOD Single : A 77 LYS NZ :NH3+ -175:sc= 0.00689 (180deg=0.00435) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -24:sc= 0.186 USER MOD Single : A 87 HIS : no HE2:sc= -2.94! C(o=-2.9!,f=-3.2!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.0769 X(o=0.077,f=0) USER MOD Single : A 102 THR OG1 : rot 66:sc= 0.632 USER MOD Single : A 105 CYS SG : rot 180:sc= -1.34 USER MOD Single : A 106 MET CE :methyl 175:sc= -2.97 (180deg=-3.08) USER MOD Single : A 119 THR OG1 : rot 87:sc= 0.954 USER MOD Single : A 121 GLN : amide:sc= -0.108 K(o=-0.11,f=-2.1!) USER MOD Single : A 124 GLN : amide:sc= -6.78! C(o=-6.8!,f=-8.5!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 176:sc= 0.761 (180deg=0.686) USER MOD Single : A 133 GLN : amide:sc= -0.175 K(o=-0.17,f=-1.5!) USER MOD Single : A 134 THR OG1 : rot -100:sc= -1.01 USER MOD Single : A 137 TYR OH : rot 180:sc= -0.325 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 20.010 -0.036 5.615 1.00 0.00 N ATOM 67 CA ILE A 8 18.946 -0.977 5.941 1.00 0.00 C ATOM 68 C ILE A 8 18.406 -1.652 4.685 1.00 0.00 C ATOM 69 O ILE A 8 18.200 -1.019 3.649 1.00 0.00 O ATOM 70 CB ILE A 8 17.785 -0.281 6.676 1.00 0.00 C ATOM 71 CG1 ILE A 8 17.993 -0.356 8.190 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.457 -0.913 6.286 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.707 -0.272 8.982 1.00 0.00 C ATOM 0 HA ILE A 8 19.381 -1.731 6.597 1.00 0.00 H new ATOM 0 HB ILE A 8 17.766 0.769 6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.499 -1.290 8.433 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.654 0.454 8.498 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.646 -0.411 6.813 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.308 -0.812 5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.464 -1.970 6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.931 -0.332 10.047 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.209 0.674 8.768 1.00 0.00 H new ATOM 0 HD13 ILE A 8 16.053 -1.098 8.702 1.00 0.00 H new ATOM 85 N PRO A 9 18.168 -2.969 4.777 1.00 0.00 N ATOM 86 CA PRO A 9 17.646 -3.759 3.658 1.00 0.00 C ATOM 87 C PRO A 9 16.144 -3.574 3.469 1.00 0.00 C ATOM 88 O PRO A 9 15.405 -3.379 4.435 1.00 0.00 O ATOM 89 CB PRO A 9 17.960 -5.201 4.065 1.00 0.00 C ATOM 90 CG PRO A 9 17.975 -5.180 5.555 1.00 0.00 C ATOM 91 CD PRO A 9 18.390 -3.788 5.981 1.00 0.00 C ATOM 0 HA PRO A 9 18.091 -3.463 2.708 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.207 -5.892 3.686 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.920 -5.525 3.664 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.990 -5.426 5.953 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.671 -5.924 5.943 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.794 -3.433 6.821 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.433 -3.761 6.296 1.00 0.00 H new ATOM 99 N THR A 10 15.697 -3.638 2.219 1.00 0.00 N ATOM 100 CA THR A 10 14.284 -3.477 1.903 1.00 0.00 C ATOM 101 C THR A 10 13.846 -4.460 0.823 1.00 0.00 C ATOM 102 O THR A 10 14.656 -5.230 0.306 1.00 0.00 O ATOM 103 CB THR A 10 13.972 -2.044 1.434 1.00 0.00 C ATOM 104 OG1 THR A 10 14.819 -1.694 0.333 1.00 0.00 O ATOM 105 CG2 THR A 10 14.169 -1.048 2.568 1.00 0.00 C ATOM 0 H THR A 10 16.294 -3.800 1.408 1.00 0.00 H new ATOM 0 HA THR A 10 13.731 -3.679 2.820 1.00 0.00 H new ATOM 0 HB THR A 10 12.930 -2.008 1.117 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.613 -0.782 0.039 1.00 0.00 H new ATOM 0 HG21 THR A 10 13.943 -0.043 2.213 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.503 -1.300 3.393 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.203 -1.087 2.911 1.00 0.00 H new ATOM 113 N CYS A 11 12.562 -4.428 0.486 1.00 0.00 N ATOM 114 CA CYS A 11 12.017 -5.316 -0.535 1.00 0.00 C ATOM 115 C CYS A 11 10.863 -4.649 -1.277 1.00 0.00 C ATOM 116 O CYS A 11 10.528 -3.494 -1.015 1.00 0.00 O ATOM 117 CB CYS A 11 11.542 -6.624 0.100 1.00 0.00 C ATOM 118 SG CYS A 11 10.317 -6.406 1.412 1.00 0.00 S ATOM 0 H CYS A 11 11.879 -3.797 0.905 1.00 0.00 H new ATOM 0 HA CYS A 11 12.808 -5.534 -1.252 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.117 -7.259 -0.677 1.00 0.00 H new ATOM 0 HB3 CYS A 11 12.404 -7.152 0.507 1.00 0.00 H new ATOM 0 HG CYS A 11 10.580 -5.319 2.075 1.00 0.00 H new ATOM 124 N LYS A 12 10.261 -5.384 -2.206 1.00 0.00 N ATOM 125 CA LYS A 12 9.145 -4.864 -2.988 1.00 0.00 C ATOM 126 C LYS A 12 7.844 -5.567 -2.614 1.00 0.00 C ATOM 127 O LYS A 12 7.811 -6.789 -2.459 1.00 0.00 O ATOM 128 CB LYS A 12 9.419 -5.038 -4.483 1.00 0.00 C ATOM 129 CG LYS A 12 8.219 -4.731 -5.362 1.00 0.00 C ATOM 130 CD LYS A 12 8.606 -4.657 -6.829 1.00 0.00 C ATOM 131 CE LYS A 12 8.373 -5.984 -7.535 1.00 0.00 C ATOM 132 NZ LYS A 12 8.347 -5.827 -9.016 1.00 0.00 N ATOM 0 H LYS A 12 10.527 -6.341 -2.436 1.00 0.00 H new ATOM 0 HA LYS A 12 9.041 -3.802 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.245 -4.387 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.741 -6.063 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.459 -5.500 -5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.774 -3.785 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.026 -3.876 -7.320 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.656 -4.377 -6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.160 -6.686 -7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.429 -6.414 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.186 -6.753 -9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.580 -5.177 -9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.257 -5.441 -9.340 1.00 0.00 H new ATOM 146 N ILE A 13 6.777 -4.790 -2.471 1.00 0.00 N ATOM 147 CA ILE A 13 5.474 -5.339 -2.118 1.00 0.00 C ATOM 148 C ILE A 13 4.442 -5.048 -3.202 1.00 0.00 C ATOM 149 O ILE A 13 3.848 -3.969 -3.237 1.00 0.00 O ATOM 150 CB ILE A 13 4.968 -4.772 -0.778 1.00 0.00 C ATOM 151 CG1 ILE A 13 5.974 -5.066 0.337 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.605 -5.355 -0.437 1.00 0.00 C ATOM 153 CD1 ILE A 13 6.112 -6.539 0.653 1.00 0.00 C ATOM 0 H ILE A 13 6.789 -3.778 -2.594 1.00 0.00 H new ATOM 0 HA ILE A 13 5.602 -6.417 -2.022 1.00 0.00 H new ATOM 0 HB ILE A 13 4.865 -3.691 -0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.949 -4.671 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.669 -4.536 1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.261 -4.945 0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.893 -5.099 -1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.683 -6.439 -0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.841 -6.673 1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.148 -6.935 0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.447 -7.072 -0.237 1.00 0.00 H new ATOM 165 N THR A 14 4.230 -6.018 -4.086 1.00 0.00 N ATOM 166 CA THR A 14 3.270 -5.867 -5.171 1.00 0.00 C ATOM 167 C THR A 14 2.043 -6.744 -4.946 1.00 0.00 C ATOM 168 O THR A 14 2.130 -7.972 -4.986 1.00 0.00 O ATOM 169 CB THR A 14 3.898 -6.223 -6.532 1.00 0.00 C ATOM 170 OG1 THR A 14 5.299 -5.927 -6.516 1.00 0.00 O ATOM 171 CG2 THR A 14 3.225 -5.452 -7.657 1.00 0.00 C ATOM 0 H THR A 14 4.711 -6.917 -4.071 1.00 0.00 H new ATOM 0 HA THR A 14 2.968 -4.820 -5.181 1.00 0.00 H new ATOM 0 HB THR A 14 3.753 -7.289 -6.707 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.536 -5.425 -7.323 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.685 -5.720 -8.608 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.164 -5.701 -7.685 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.343 -4.382 -7.486 1.00 0.00 H new ATOM 179 N LEU A 15 0.901 -6.108 -4.711 1.00 0.00 N ATOM 180 CA LEU A 15 -0.344 -6.831 -4.481 1.00 0.00 C ATOM 181 C LEU A 15 -1.393 -6.455 -5.522 1.00 0.00 C ATOM 182 O LEU A 15 -1.748 -5.285 -5.668 1.00 0.00 O ATOM 183 CB LEU A 15 -0.875 -6.537 -3.077 1.00 0.00 C ATOM 184 CG LEU A 15 0.160 -6.551 -1.951 1.00 0.00 C ATOM 185 CD1 LEU A 15 -0.259 -5.614 -0.829 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.354 -7.965 -1.423 1.00 0.00 C ATOM 0 H LEU A 15 0.812 -5.093 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.137 -7.898 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.355 -5.559 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.648 -7.269 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 15 1.111 -6.201 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.489 -5.637 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.346 -4.599 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.221 -5.933 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.094 -7.956 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.593 -8.343 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.701 -8.610 -2.230 1.00 0.00 H new ATOM 198 N LYS A 16 -1.888 -7.454 -6.245 1.00 0.00 N ATOM 199 CA LYS A 16 -2.899 -7.231 -7.271 1.00 0.00 C ATOM 200 C LYS A 16 -4.185 -7.981 -6.940 1.00 0.00 C ATOM 201 O LYS A 16 -4.239 -9.207 -7.033 1.00 0.00 O ATOM 202 CB LYS A 16 -2.374 -7.674 -8.638 1.00 0.00 C ATOM 203 CG LYS A 16 -1.317 -6.747 -9.214 1.00 0.00 C ATOM 204 CD LYS A 16 -0.775 -7.271 -10.533 1.00 0.00 C ATOM 205 CE LYS A 16 0.675 -6.862 -10.742 1.00 0.00 C ATOM 206 NZ LYS A 16 1.059 -6.892 -12.180 1.00 0.00 N ATOM 0 H LYS A 16 -1.604 -8.428 -6.139 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.120 -6.164 -7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.956 -8.677 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.209 -7.737 -9.336 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.744 -5.755 -9.363 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.500 -6.638 -8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.854 -8.358 -10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.383 -6.891 -11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.830 -5.858 -10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.326 -7.531 -10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.054 -6.607 -12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.936 -7.855 -12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.456 -6.235 -12.714 1.00 0.00 H new ATOM 220 N GLU A 17 -5.217 -7.237 -6.557 1.00 0.00 N ATOM 221 CA GLU A 17 -6.503 -7.834 -6.214 1.00 0.00 C ATOM 222 C GLU A 17 -7.645 -7.106 -6.916 1.00 0.00 C ATOM 223 O GLU A 17 -7.531 -5.928 -7.256 1.00 0.00 O ATOM 224 CB GLU A 17 -6.717 -7.802 -4.699 1.00 0.00 C ATOM 225 CG GLU A 17 -7.617 -8.914 -4.188 1.00 0.00 C ATOM 226 CD GLU A 17 -7.388 -9.222 -2.720 1.00 0.00 C ATOM 227 OE1 GLU A 17 -7.376 -8.272 -1.910 1.00 0.00 O ATOM 228 OE2 GLU A 17 -7.221 -10.413 -2.384 1.00 0.00 O ATOM 0 H GLU A 17 -5.188 -6.221 -6.476 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.495 -8.871 -6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.749 -7.872 -4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.149 -6.840 -4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.659 -8.631 -4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.444 -9.815 -4.776 1.00 0.00 H new ATOM 235 N THR A 18 -8.749 -7.817 -7.131 1.00 0.00 N ATOM 236 CA THR A 18 -9.912 -7.241 -7.793 1.00 0.00 C ATOM 237 C THR A 18 -10.962 -6.804 -6.779 1.00 0.00 C ATOM 238 O THR A 18 -11.081 -7.390 -5.703 1.00 0.00 O ATOM 239 CB THR A 18 -10.549 -8.239 -8.778 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.526 -8.950 -9.485 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.451 -7.520 -9.770 1.00 0.00 C ATOM 0 H THR A 18 -8.861 -8.793 -6.856 1.00 0.00 H new ATOM 0 HA THR A 18 -9.561 -6.370 -8.346 1.00 0.00 H new ATOM 0 HB THR A 18 -11.153 -8.944 -8.207 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.939 -9.584 -10.108 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.889 -8.246 -10.455 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.245 -7.004 -9.231 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.865 -6.795 -10.335 1.00 0.00 H new ATOM 249 N PHE A 19 -11.724 -5.773 -7.129 1.00 0.00 N ATOM 250 CA PHE A 19 -12.765 -5.257 -6.248 1.00 0.00 C ATOM 251 C PHE A 19 -14.125 -5.282 -6.941 1.00 0.00 C ATOM 252 O PHE A 19 -14.229 -5.017 -8.139 1.00 0.00 O ATOM 253 CB PHE A 19 -12.431 -3.831 -5.808 1.00 0.00 C ATOM 254 CG PHE A 19 -11.327 -3.761 -4.791 1.00 0.00 C ATOM 255 CD1 PHE A 19 -10.002 -3.884 -5.178 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.615 -3.570 -3.449 1.00 0.00 C ATOM 257 CE1 PHE A 19 -8.985 -3.821 -4.244 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.602 -3.506 -2.511 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.285 -3.630 -2.910 1.00 0.00 C ATOM 0 H PHE A 19 -11.640 -5.278 -8.017 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.812 -5.899 -5.368 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.146 -3.247 -6.683 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.326 -3.368 -5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.761 -4.031 -6.221 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.643 -3.470 -3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.956 -3.921 -4.558 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.839 -3.359 -1.468 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.491 -3.578 -2.179 1.00 0.00 H new ATOM 269 N LEU A 20 -15.164 -5.603 -6.179 1.00 0.00 N ATOM 270 CA LEU A 20 -16.519 -5.664 -6.718 1.00 0.00 C ATOM 271 C LEU A 20 -17.127 -4.269 -6.819 1.00 0.00 C ATOM 272 O LEU A 20 -18.311 -4.073 -6.540 1.00 0.00 O ATOM 273 CB LEU A 20 -17.399 -6.554 -5.839 1.00 0.00 C ATOM 274 CG LEU A 20 -17.165 -8.060 -5.963 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.608 -8.559 -7.329 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.700 -8.394 -5.720 1.00 0.00 C ATOM 0 H LEU A 20 -15.095 -5.825 -5.186 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.467 -6.091 -7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.247 -6.267 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.442 -6.348 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.763 -8.565 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.434 -9.633 -7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.670 -8.354 -7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -17.038 -8.048 -8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.552 -9.470 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.082 -7.878 -6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.415 -8.073 -4.718 1.00 0.00 H new ATOM 288 N THR A 21 -16.311 -3.300 -7.222 1.00 0.00 N ATOM 289 CA THR A 21 -16.768 -1.923 -7.362 1.00 0.00 C ATOM 290 C THR A 21 -16.060 -1.223 -8.516 1.00 0.00 C ATOM 291 O THR A 21 -15.082 -1.735 -9.059 1.00 0.00 O ATOM 292 CB THR A 21 -16.535 -1.120 -6.068 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.202 0.144 -6.149 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.049 -0.900 -5.828 1.00 0.00 C ATOM 0 H THR A 21 -15.329 -3.444 -7.457 1.00 0.00 H new ATOM 0 HA THR A 21 -17.838 -1.964 -7.568 1.00 0.00 H new ATOM 0 HB THR A 21 -16.941 -1.692 -5.234 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.113 0.056 -5.799 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.909 -0.331 -4.909 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.548 -1.864 -5.738 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.623 -0.347 -6.665 1.00 0.00 H new ATOM 302 N SER A 22 -16.560 -0.048 -8.885 1.00 0.00 N ATOM 303 CA SER A 22 -15.977 0.722 -9.978 1.00 0.00 C ATOM 304 C SER A 22 -14.770 1.521 -9.495 1.00 0.00 C ATOM 305 O SER A 22 -14.663 1.886 -8.324 1.00 0.00 O ATOM 306 CB SER A 22 -17.020 1.665 -10.579 1.00 0.00 C ATOM 307 OG SER A 22 -18.161 0.949 -11.020 1.00 0.00 O ATOM 0 H SER A 22 -17.367 0.392 -8.443 1.00 0.00 H new ATOM 0 HA SER A 22 -15.645 0.023 -10.746 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.316 2.406 -9.836 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.583 2.210 -11.416 1.00 0.00 H new ATOM 0 HG SER A 22 -18.814 1.575 -11.398 1.00 0.00 H new ATOM 313 N PRO A 23 -13.839 1.801 -10.419 1.00 0.00 N ATOM 314 CA PRO A 23 -12.623 2.561 -10.112 1.00 0.00 C ATOM 315 C PRO A 23 -12.918 3.833 -9.324 1.00 0.00 C ATOM 316 O PRO A 23 -12.436 4.005 -8.205 1.00 0.00 O ATOM 317 CB PRO A 23 -12.063 2.906 -11.494 1.00 0.00 C ATOM 318 CG PRO A 23 -12.582 1.836 -12.392 1.00 0.00 C ATOM 319 CD PRO A 23 -13.902 1.398 -11.834 1.00 0.00 C ATOM 0 HA PRO A 23 -11.934 1.993 -9.487 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.394 3.892 -11.820 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.973 2.922 -11.487 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.698 2.209 -13.410 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.885 0.999 -12.437 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.733 1.879 -12.350 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.042 0.322 -11.937 1.00 0.00 H new ATOM 327 N GLU A 24 -13.712 4.720 -9.916 1.00 0.00 N ATOM 328 CA GLU A 24 -14.069 5.976 -9.267 1.00 0.00 C ATOM 329 C GLU A 24 -14.449 5.746 -7.807 1.00 0.00 C ATOM 330 O GLU A 24 -14.100 6.538 -6.933 1.00 0.00 O ATOM 331 CB GLU A 24 -15.228 6.646 -10.008 1.00 0.00 C ATOM 332 CG GLU A 24 -16.592 6.093 -9.632 1.00 0.00 C ATOM 333 CD GLU A 24 -17.683 6.529 -10.590 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.523 7.592 -11.226 1.00 0.00 O ATOM 335 OE2 GLU A 24 -18.697 5.809 -10.704 1.00 0.00 O ATOM 0 H GLU A 24 -14.120 4.592 -10.842 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.199 6.632 -9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.210 7.716 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.080 6.526 -11.081 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.545 5.004 -9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.847 6.420 -8.624 1.00 0.00 H new ATOM 342 N GLU A 25 -15.168 4.657 -7.554 1.00 0.00 N ATOM 343 CA GLU A 25 -15.597 4.323 -6.201 1.00 0.00 C ATOM 344 C GLU A 25 -14.395 4.133 -5.280 1.00 0.00 C ATOM 345 O GLU A 25 -14.156 4.937 -4.378 1.00 0.00 O ATOM 346 CB GLU A 25 -16.451 3.054 -6.211 1.00 0.00 C ATOM 347 CG GLU A 25 -17.493 3.013 -5.105 1.00 0.00 C ATOM 348 CD GLU A 25 -18.816 3.622 -5.527 1.00 0.00 C ATOM 349 OE1 GLU A 25 -19.332 3.238 -6.597 1.00 0.00 O ATOM 350 OE2 GLU A 25 -19.335 4.483 -4.786 1.00 0.00 O ATOM 0 H GLU A 25 -15.465 3.992 -8.268 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.195 5.152 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.953 2.972 -7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.798 2.186 -6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.654 1.979 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.113 3.546 -4.233 1.00 0.00 H new ATOM 357 N LEU A 26 -13.641 3.064 -5.514 1.00 0.00 N ATOM 358 CA LEU A 26 -12.463 2.767 -4.707 1.00 0.00 C ATOM 359 C LEU A 26 -11.474 3.927 -4.739 1.00 0.00 C ATOM 360 O LEU A 26 -10.631 4.063 -3.851 1.00 0.00 O ATOM 361 CB LEU A 26 -11.787 1.490 -5.208 1.00 0.00 C ATOM 362 CG LEU A 26 -10.764 0.857 -4.263 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.462 0.222 -3.070 1.00 0.00 C ATOM 364 CD2 LEU A 26 -9.922 -0.173 -5.001 1.00 0.00 C ATOM 0 H LEU A 26 -13.825 2.389 -6.256 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.786 2.619 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.561 0.752 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.291 1.712 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.102 1.642 -3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.719 -0.223 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.021 0.984 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.147 -0.551 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.200 -0.613 -4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.569 -0.956 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.393 0.311 -5.822 1.00 0.00 H new ATOM 376 N TYR A 27 -11.583 4.762 -5.766 1.00 0.00 N ATOM 377 CA TYR A 27 -10.697 5.911 -5.914 1.00 0.00 C ATOM 378 C TYR A 27 -10.871 6.886 -4.754 1.00 0.00 C ATOM 379 O TYR A 27 -9.992 7.702 -4.477 1.00 0.00 O ATOM 380 CB TYR A 27 -10.970 6.624 -7.240 1.00 0.00 C ATOM 381 CG TYR A 27 -10.001 7.747 -7.534 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.639 7.592 -7.308 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.448 8.963 -8.036 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.750 8.616 -7.575 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.566 9.991 -8.307 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.218 9.813 -8.074 1.00 0.00 C ATOM 387 OH TYR A 27 -7.337 10.835 -8.342 1.00 0.00 O ATOM 0 H TYR A 27 -12.276 4.665 -6.508 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.669 5.548 -5.909 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.926 5.896 -8.050 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.984 7.024 -7.226 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.269 6.656 -6.917 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.503 9.107 -8.217 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.694 8.479 -7.394 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.930 10.929 -8.699 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.708 10.551 -9.038 1.00 0.00 H new ATOM 397 N ARG A 28 -12.012 6.794 -4.079 1.00 0.00 N ATOM 398 CA ARG A 28 -12.303 7.668 -2.948 1.00 0.00 C ATOM 399 C ARG A 28 -11.872 7.020 -1.635 1.00 0.00 C ATOM 400 O ARG A 28 -11.165 7.630 -0.833 1.00 0.00 O ATOM 401 CB ARG A 28 -13.797 7.996 -2.901 1.00 0.00 C ATOM 402 CG ARG A 28 -14.434 8.132 -4.274 1.00 0.00 C ATOM 403 CD ARG A 28 -15.893 7.705 -4.256 1.00 0.00 C ATOM 404 NE ARG A 28 -16.780 8.802 -3.879 1.00 0.00 N ATOM 405 CZ ARG A 28 -17.990 8.624 -3.359 1.00 0.00 C ATOM 406 NH1 ARG A 28 -18.453 7.399 -3.155 1.00 0.00 N ATOM 407 NH2 ARG A 28 -18.738 9.673 -3.042 1.00 0.00 N ATOM 0 H ARG A 28 -12.750 6.124 -4.295 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.739 8.591 -3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.315 7.214 -2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.939 8.926 -2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.361 9.167 -4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.885 7.524 -4.993 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.174 7.334 -5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.020 6.879 -3.556 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.453 9.757 -4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.880 6.590 -3.397 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.382 7.265 -2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.384 10.617 -3.197 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.667 9.535 -2.643 1.00 0.00 H new ATOM 421 N VAL A 29 -12.302 5.781 -1.424 1.00 0.00 N ATOM 422 CA VAL A 29 -11.960 5.050 -0.209 1.00 0.00 C ATOM 423 C VAL A 29 -10.484 5.215 0.135 1.00 0.00 C ATOM 424 O VAL A 29 -10.082 5.053 1.287 1.00 0.00 O ATOM 425 CB VAL A 29 -12.278 3.549 -0.349 1.00 0.00 C ATOM 426 CG1 VAL A 29 -11.891 2.801 0.918 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.752 3.345 -0.669 1.00 0.00 C ATOM 0 H VAL A 29 -12.888 5.262 -2.078 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.566 5.470 0.594 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.691 3.146 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.123 1.742 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.823 2.921 1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.450 3.203 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.959 2.279 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.360 3.762 0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.994 3.847 -1.606 1.00 0.00 H new ATOM 437 N PHE A 30 -9.681 5.540 -0.872 1.00 0.00 N ATOM 438 CA PHE A 30 -8.248 5.727 -0.677 1.00 0.00 C ATOM 439 C PHE A 30 -7.889 7.210 -0.669 1.00 0.00 C ATOM 440 O PHE A 30 -6.851 7.608 -0.139 1.00 0.00 O ATOM 441 CB PHE A 30 -7.463 5.007 -1.776 1.00 0.00 C ATOM 442 CG PHE A 30 -7.310 3.533 -1.535 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.374 2.669 -1.740 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.101 3.010 -1.104 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.236 1.312 -1.519 1.00 0.00 C ATOM 446 CE2 PHE A 30 -5.957 1.653 -0.882 1.00 0.00 C ATOM 447 CZ PHE A 30 -7.026 0.803 -1.089 1.00 0.00 C ATOM 0 H PHE A 30 -9.998 5.679 -1.831 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.980 5.301 0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.966 5.161 -2.731 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.474 5.458 -1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.322 3.061 -2.077 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.262 3.670 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.073 0.650 -1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.009 1.258 -0.547 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.916 -0.257 -0.915 1.00 0.00 H new ATOM 457 N THR A 31 -8.756 8.026 -1.262 1.00 0.00 N ATOM 458 CA THR A 31 -8.531 9.464 -1.326 1.00 0.00 C ATOM 459 C THR A 31 -9.570 10.220 -0.505 1.00 0.00 C ATOM 460 O THR A 31 -9.829 11.399 -0.745 1.00 0.00 O ATOM 461 CB THR A 31 -8.571 9.975 -2.778 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.895 9.844 -3.308 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.592 9.204 -3.650 1.00 0.00 C ATOM 0 H THR A 31 -9.620 7.714 -1.705 1.00 0.00 H new ATOM 0 HA THR A 31 -7.540 9.647 -0.911 1.00 0.00 H new ATOM 0 HB THR A 31 -8.283 11.026 -2.778 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.882 9.232 -4.074 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.638 9.583 -4.671 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.581 9.330 -3.261 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.854 8.146 -3.643 1.00 0.00 H new ATOM 471 N THR A 32 -10.163 9.533 0.467 1.00 0.00 N ATOM 472 CA THR A 32 -11.174 10.139 1.324 1.00 0.00 C ATOM 473 C THR A 32 -10.976 9.733 2.780 1.00 0.00 C ATOM 474 O THR A 32 -11.236 8.590 3.155 1.00 0.00 O ATOM 475 CB THR A 32 -12.596 9.744 0.881 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.757 9.985 -0.521 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.642 10.528 1.659 1.00 0.00 C ATOM 0 H THR A 32 -9.960 8.556 0.680 1.00 0.00 H new ATOM 0 HA THR A 32 -11.060 11.219 1.232 1.00 0.00 H new ATOM 0 HB THR A 32 -12.735 8.682 1.085 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.650 10.353 -0.689 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.638 10.232 1.329 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.536 10.320 2.724 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.503 11.595 1.482 1.00 0.00 H new ATOM 485 N GLN A 33 -10.516 10.677 3.595 1.00 0.00 N ATOM 486 CA GLN A 33 -10.284 10.415 5.011 1.00 0.00 C ATOM 487 C GLN A 33 -11.463 9.671 5.628 1.00 0.00 C ATOM 488 O GLN A 33 -11.302 8.582 6.177 1.00 0.00 O ATOM 489 CB GLN A 33 -10.045 11.727 5.761 1.00 0.00 C ATOM 490 CG GLN A 33 -9.912 11.553 7.265 1.00 0.00 C ATOM 491 CD GLN A 33 -9.514 12.835 7.969 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.115 13.809 7.329 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.620 12.842 9.292 1.00 0.00 N ATOM 0 H GLN A 33 -10.297 11.628 3.300 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.397 9.787 5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.139 12.196 5.376 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.869 12.409 5.554 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.860 11.200 7.671 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.169 10.783 7.473 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.955 12.012 9.781 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.366 13.677 9.820 1.00 0.00 H new ATOM 502 N GLU A 34 -12.648 10.266 5.533 1.00 0.00 N ATOM 503 CA GLU A 34 -13.854 9.659 6.083 1.00 0.00 C ATOM 504 C GLU A 34 -13.950 8.187 5.690 1.00 0.00 C ATOM 505 O GLU A 34 -13.866 7.299 6.539 1.00 0.00 O ATOM 506 CB GLU A 34 -15.096 10.409 5.599 1.00 0.00 C ATOM 507 CG GLU A 34 -16.399 9.834 6.127 1.00 0.00 C ATOM 508 CD GLU A 34 -16.828 10.467 7.437 1.00 0.00 C ATOM 509 OE1 GLU A 34 -16.686 11.700 7.574 1.00 0.00 O ATOM 510 OE2 GLU A 34 -17.306 9.730 8.324 1.00 0.00 O ATOM 0 H GLU A 34 -12.798 11.168 5.080 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.800 9.725 7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.020 11.453 5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.117 10.394 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.183 9.979 5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.287 8.759 6.267 1.00 0.00 H new ATOM 517 N LEU A 35 -14.126 7.937 4.397 1.00 0.00 N ATOM 518 CA LEU A 35 -14.234 6.573 3.890 1.00 0.00 C ATOM 519 C LEU A 35 -13.205 5.663 4.553 1.00 0.00 C ATOM 520 O LEU A 35 -13.483 4.497 4.835 1.00 0.00 O ATOM 521 CB LEU A 35 -14.045 6.556 2.372 1.00 0.00 C ATOM 522 CG LEU A 35 -15.026 7.406 1.564 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.840 7.164 0.074 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.459 7.107 1.980 1.00 0.00 C ATOM 0 H LEU A 35 -14.197 8.660 3.681 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.230 6.200 4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -13.033 6.894 2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.120 5.524 2.028 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.821 8.457 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.547 7.777 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.823 7.429 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.017 6.112 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.143 7.721 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.676 6.053 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.585 7.332 3.039 1.00 0.00 H new ATOM 536 N VAL A 36 -12.016 6.203 4.800 1.00 0.00 N ATOM 537 CA VAL A 36 -10.947 5.441 5.432 1.00 0.00 C ATOM 538 C VAL A 36 -11.292 5.106 6.879 1.00 0.00 C ATOM 539 O VAL A 36 -11.122 3.970 7.321 1.00 0.00 O ATOM 540 CB VAL A 36 -9.613 6.211 5.399 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.484 5.348 5.941 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.305 6.680 3.985 1.00 0.00 C ATOM 0 H VAL A 36 -11.769 7.166 4.572 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.839 4.517 4.864 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.704 7.090 6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.550 5.909 5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.704 5.066 6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.388 4.449 5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.359 7.222 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.232 5.817 3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.102 7.337 3.638 1.00 0.00 H new ATOM 552 N GLN A 37 -11.776 6.104 7.612 1.00 0.00 N ATOM 553 CA GLN A 37 -12.145 5.915 9.010 1.00 0.00 C ATOM 554 C GLN A 37 -13.317 4.948 9.138 1.00 0.00 C ATOM 555 O GLN A 37 -13.739 4.611 10.244 1.00 0.00 O ATOM 556 CB GLN A 37 -12.503 7.257 9.651 1.00 0.00 C ATOM 557 CG GLN A 37 -11.320 7.955 10.302 1.00 0.00 C ATOM 558 CD GLN A 37 -11.648 9.367 10.745 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.778 10.274 9.784 1.00 0.00 O flip ATOM 560 NE2 GLN A 37 -11.782 9.640 11.938 1.00 0.00 N flip ATOM 0 H GLN A 37 -11.922 7.051 7.261 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.288 5.489 9.531 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.927 7.912 8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.277 7.097 10.401 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.990 7.375 11.164 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.487 7.983 9.599 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.673 8.911 12.643 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.002 10.595 12.221 1.00 0.00 H new ATOM 569 N ALA A 38 -13.840 4.505 7.999 1.00 0.00 N ATOM 570 CA ALA A 38 -14.962 3.575 7.984 1.00 0.00 C ATOM 571 C ALA A 38 -14.478 2.130 7.961 1.00 0.00 C ATOM 572 O ALA A 38 -14.971 1.287 8.711 1.00 0.00 O ATOM 573 CB ALA A 38 -15.860 3.852 6.787 1.00 0.00 C ATOM 0 H ALA A 38 -13.504 4.776 7.075 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.537 3.723 8.898 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.694 3.150 6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.243 4.871 6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.287 3.734 5.867 1.00 0.00 H new ATOM 579 N PHE A 39 -13.510 1.849 7.095 1.00 0.00 N ATOM 580 CA PHE A 39 -12.960 0.503 6.973 1.00 0.00 C ATOM 581 C PHE A 39 -11.774 0.314 7.914 1.00 0.00 C ATOM 582 O PHE A 39 -11.267 -0.797 8.077 1.00 0.00 O ATOM 583 CB PHE A 39 -12.528 0.235 5.530 1.00 0.00 C ATOM 584 CG PHE A 39 -11.221 0.878 5.166 1.00 0.00 C ATOM 585 CD1 PHE A 39 -10.027 0.381 5.662 1.00 0.00 C ATOM 586 CD2 PHE A 39 -11.186 1.980 4.327 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.822 0.971 5.329 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.984 2.575 3.990 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.801 2.069 4.491 1.00 0.00 C ATOM 0 H PHE A 39 -13.090 2.535 6.467 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.739 -0.208 7.250 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.449 -0.841 5.377 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.303 0.597 4.854 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.038 -0.478 6.317 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.108 2.379 3.931 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.898 0.574 5.723 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.971 3.434 3.336 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.861 2.531 4.228 1.00 0.00 H new ATOM 599 N THR A 40 -11.336 1.406 8.533 1.00 0.00 N ATOM 600 CA THR A 40 -10.210 1.362 9.456 1.00 0.00 C ATOM 601 C THR A 40 -10.683 1.429 10.904 1.00 0.00 C ATOM 602 O THR A 40 -9.968 1.021 11.821 1.00 0.00 O ATOM 603 CB THR A 40 -9.224 2.516 9.196 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.884 3.774 9.380 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.657 2.437 7.787 1.00 0.00 C ATOM 0 H THR A 40 -11.745 2.332 8.411 1.00 0.00 H new ATOM 0 HA THR A 40 -9.700 0.414 9.287 1.00 0.00 H new ATOM 0 HB THR A 40 -8.402 2.429 9.906 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.663 3.825 8.787 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.963 3.262 7.627 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.131 1.491 7.659 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.470 2.501 7.064 1.00 0.00 H new ATOM 613 N HIS A 41 -11.892 1.944 11.103 1.00 0.00 N ATOM 614 CA HIS A 41 -12.461 2.063 12.441 1.00 0.00 C ATOM 615 C HIS A 41 -11.434 2.625 13.420 1.00 0.00 C ATOM 616 O HIS A 41 -11.248 2.091 14.513 1.00 0.00 O ATOM 617 CB HIS A 41 -12.958 0.702 12.930 1.00 0.00 C ATOM 618 CG HIS A 41 -13.785 -0.031 11.920 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.164 -0.017 11.923 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.421 -0.802 10.868 1.00 0.00 C ATOM 621 CE1 HIS A 41 -15.613 -0.749 10.919 1.00 0.00 C ATOM 622 NE2 HIS A 41 -14.575 -1.236 10.263 1.00 0.00 N ATOM 0 H HIS A 41 -12.496 2.285 10.356 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.304 2.752 12.391 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.100 0.087 13.200 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.547 0.844 13.836 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.411 -1.033 10.562 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -16.651 -0.920 10.676 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -14.623 -1.837 9.440 1.00 0.00 H new ATOM 631 N ALA A 42 -10.770 3.704 13.020 1.00 0.00 N ATOM 632 CA ALA A 42 -9.764 4.338 13.862 1.00 0.00 C ATOM 633 C ALA A 42 -9.434 5.741 13.363 1.00 0.00 C ATOM 634 O ALA A 42 -9.516 6.037 12.171 1.00 0.00 O ATOM 635 CB ALA A 42 -8.505 3.485 13.914 1.00 0.00 C ATOM 0 H ALA A 42 -10.911 4.158 12.117 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.172 4.426 14.869 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.762 3.971 14.547 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.746 2.505 14.325 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.103 3.367 12.908 1.00 0.00 H new ATOM 641 N PRO A 43 -9.053 6.627 14.295 1.00 0.00 N ATOM 642 CA PRO A 43 -8.704 8.014 13.973 1.00 0.00 C ATOM 643 C PRO A 43 -7.741 8.110 12.794 1.00 0.00 C ATOM 644 O PRO A 43 -6.525 8.034 12.966 1.00 0.00 O ATOM 645 CB PRO A 43 -8.033 8.517 15.253 1.00 0.00 C ATOM 646 CG PRO A 43 -8.609 7.675 16.339 1.00 0.00 C ATOM 647 CD PRO A 43 -8.933 6.343 15.735 1.00 0.00 C ATOM 0 HA PRO A 43 -9.577 8.596 13.676 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.950 8.409 15.201 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.240 9.574 15.420 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.899 7.564 17.159 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.504 8.139 16.753 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.149 5.613 15.934 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.859 5.935 16.140 1.00 0.00 H new ATOM 655 N ALA A 44 -8.294 8.279 11.597 1.00 0.00 N ATOM 656 CA ALA A 44 -7.484 8.388 10.390 1.00 0.00 C ATOM 657 C ALA A 44 -7.578 9.788 9.791 1.00 0.00 C ATOM 658 O ALA A 44 -8.659 10.372 9.717 1.00 0.00 O ATOM 659 CB ALA A 44 -7.914 7.345 9.369 1.00 0.00 C ATOM 0 H ALA A 44 -9.299 8.343 11.438 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.444 8.206 10.662 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.300 7.438 8.473 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.789 6.348 9.792 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.961 7.500 9.109 1.00 0.00 H new ATOM 665 N THR A 45 -6.437 10.322 9.365 1.00 0.00 N ATOM 666 CA THR A 45 -6.390 11.653 8.775 1.00 0.00 C ATOM 667 C THR A 45 -5.843 11.605 7.352 1.00 0.00 C ATOM 668 O THR A 45 -4.630 11.553 7.144 1.00 0.00 O ATOM 669 CB THR A 45 -5.523 12.610 9.614 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.090 12.767 10.920 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.408 13.969 8.939 1.00 0.00 C ATOM 0 H THR A 45 -5.533 9.852 9.418 1.00 0.00 H new ATOM 0 HA THR A 45 -7.414 12.026 8.756 1.00 0.00 H new ATOM 0 HB THR A 45 -4.525 12.179 9.701 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.532 13.376 11.448 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.791 14.628 9.550 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.950 13.850 7.957 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.401 14.404 8.825 1.00 0.00 H new ATOM 679 N LEU A 46 -6.744 11.624 6.376 1.00 0.00 N ATOM 680 CA LEU A 46 -6.351 11.583 4.972 1.00 0.00 C ATOM 681 C LEU A 46 -6.618 12.923 4.293 1.00 0.00 C ATOM 682 O LEU A 46 -7.669 13.531 4.492 1.00 0.00 O ATOM 683 CB LEU A 46 -7.105 10.470 4.243 1.00 0.00 C ATOM 684 CG LEU A 46 -6.448 9.936 2.970 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.690 8.441 2.831 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.970 10.678 1.748 1.00 0.00 C ATOM 0 H LEU A 46 -7.751 11.668 6.531 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.281 11.379 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.241 9.638 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.099 10.838 3.988 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.373 10.105 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.215 8.079 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.267 7.922 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.762 8.249 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.491 10.284 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.049 10.542 1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.744 11.740 1.843 1.00 0.00 H new ATOM 698 N GLU A 47 -5.660 13.374 3.489 1.00 0.00 N ATOM 699 CA GLU A 47 -5.794 14.641 2.779 1.00 0.00 C ATOM 700 C GLU A 47 -5.531 14.459 1.287 1.00 0.00 C ATOM 701 O GLU A 47 -4.383 14.443 0.845 1.00 0.00 O ATOM 702 CB GLU A 47 -4.827 15.677 3.355 1.00 0.00 C ATOM 703 CG GLU A 47 -5.247 16.212 4.714 1.00 0.00 C ATOM 704 CD GLU A 47 -6.340 17.258 4.617 1.00 0.00 C ATOM 705 OE1 GLU A 47 -7.459 16.909 4.187 1.00 0.00 O ATOM 706 OE2 GLU A 47 -6.076 18.426 4.972 1.00 0.00 O ATOM 0 H GLU A 47 -4.784 12.882 3.313 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.816 14.995 2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.837 15.229 3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.741 16.510 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.594 15.386 5.334 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.380 16.643 5.214 1.00 0.00 H new ATOM 713 N ALA A 48 -6.605 14.321 0.516 1.00 0.00 N ATOM 714 CA ALA A 48 -6.492 14.141 -0.926 1.00 0.00 C ATOM 715 C ALA A 48 -5.877 15.371 -1.586 1.00 0.00 C ATOM 716 O ALA A 48 -6.573 16.341 -1.885 1.00 0.00 O ATOM 717 CB ALA A 48 -7.857 13.844 -1.530 1.00 0.00 C ATOM 0 H ALA A 48 -7.563 14.330 0.866 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.833 13.293 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.757 13.712 -2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.260 12.932 -1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.533 14.675 -1.327 1.00 0.00 H new ATOM 723 N ASP A 49 -4.568 15.323 -1.810 1.00 0.00 N ATOM 724 CA ASP A 49 -3.859 16.434 -2.435 1.00 0.00 C ATOM 725 C ASP A 49 -2.396 16.075 -2.681 1.00 0.00 C ATOM 726 O ASP A 49 -1.796 15.319 -1.917 1.00 0.00 O ATOM 727 CB ASP A 49 -3.949 17.683 -1.557 1.00 0.00 C ATOM 728 CG ASP A 49 -5.193 18.502 -1.843 1.00 0.00 C ATOM 729 OD1 ASP A 49 -5.606 18.562 -3.019 1.00 0.00 O ATOM 730 OD2 ASP A 49 -5.753 19.083 -0.889 1.00 0.00 O ATOM 0 H ASP A 49 -3.977 14.528 -1.568 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.331 16.640 -3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.945 17.387 -0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.066 18.301 -1.717 1.00 0.00 H new ATOM 735 N ARG A 50 -1.831 16.621 -3.752 1.00 0.00 N ATOM 736 CA ARG A 50 -0.440 16.356 -4.100 1.00 0.00 C ATOM 737 C ARG A 50 0.495 16.793 -2.976 1.00 0.00 C ATOM 738 O ARG A 50 0.851 17.966 -2.871 1.00 0.00 O ATOM 739 CB ARG A 50 -0.069 17.080 -5.396 1.00 0.00 C ATOM 740 CG ARG A 50 -0.557 16.373 -6.650 1.00 0.00 C ATOM 741 CD ARG A 50 0.183 16.858 -7.886 1.00 0.00 C ATOM 742 NE ARG A 50 -0.349 18.124 -8.381 1.00 0.00 N ATOM 743 CZ ARG A 50 -0.396 18.449 -9.668 1.00 0.00 C ATOM 744 NH1 ARG A 50 0.054 17.604 -10.585 1.00 0.00 N ATOM 745 NH2 ARG A 50 -0.896 19.621 -10.040 1.00 0.00 N ATOM 0 H ARG A 50 -2.314 17.249 -4.394 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.327 15.282 -4.246 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.485 18.087 -5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.015 17.184 -5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.418 15.297 -6.540 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.626 16.545 -6.774 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.241 16.976 -7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.112 16.104 -8.670 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.704 18.796 -7.701 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.437 16.702 -10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.017 17.856 -11.573 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.245 20.273 -9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.932 19.870 -11.029 1.00 0.00 H new ATOM 759 N GLY A 51 0.887 15.840 -2.135 1.00 0.00 N ATOM 760 CA GLY A 51 1.776 16.147 -1.029 1.00 0.00 C ATOM 761 C GLY A 51 1.093 16.011 0.317 1.00 0.00 C ATOM 762 O GLY A 51 1.739 16.103 1.360 1.00 0.00 O ATOM 0 H GLY A 51 0.605 14.862 -2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.639 15.482 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.153 17.164 -1.141 1.00 0.00 H new ATOM 766 N GLY A 52 -0.219 15.794 0.295 1.00 0.00 N ATOM 767 CA GLY A 52 -0.968 15.652 1.530 1.00 0.00 C ATOM 768 C GLY A 52 -0.533 14.443 2.336 1.00 0.00 C ATOM 769 O GLY A 52 0.150 13.558 1.822 1.00 0.00 O ATOM 0 H GLY A 52 -0.776 15.714 -0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.842 16.551 2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.030 15.568 1.300 1.00 0.00 H new ATOM 773 N LYS A 53 -0.929 14.406 3.603 1.00 0.00 N ATOM 774 CA LYS A 53 -0.577 13.298 4.483 1.00 0.00 C ATOM 775 C LYS A 53 -1.787 12.409 4.750 1.00 0.00 C ATOM 776 O LYS A 53 -2.918 12.890 4.830 1.00 0.00 O ATOM 777 CB LYS A 53 -0.018 13.828 5.806 1.00 0.00 C ATOM 778 CG LYS A 53 1.488 14.020 5.797 1.00 0.00 C ATOM 779 CD LYS A 53 1.925 14.950 4.677 1.00 0.00 C ATOM 780 CE LYS A 53 3.277 15.582 4.973 1.00 0.00 C ATOM 781 NZ LYS A 53 4.396 14.625 4.753 1.00 0.00 N ATOM 0 H LYS A 53 -1.495 15.131 4.044 1.00 0.00 H new ATOM 0 HA LYS A 53 0.187 12.701 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.496 14.780 6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.283 13.136 6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.810 14.427 6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.978 13.053 5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.979 14.394 3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.179 15.732 4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.416 16.456 4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.296 15.932 6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.300 15.093 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.277 13.802 5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.394 14.310 3.762 1.00 0.00 H new ATOM 795 N PHE A 54 -1.542 11.110 4.888 1.00 0.00 N ATOM 796 CA PHE A 54 -2.613 10.154 5.146 1.00 0.00 C ATOM 797 C PHE A 54 -2.268 9.260 6.333 1.00 0.00 C ATOM 798 O PHE A 54 -1.302 8.498 6.292 1.00 0.00 O ATOM 799 CB PHE A 54 -2.870 9.296 3.905 1.00 0.00 C ATOM 800 CG PHE A 54 -1.827 8.238 3.682 1.00 0.00 C ATOM 801 CD1 PHE A 54 -1.937 6.999 4.293 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.738 8.482 2.861 1.00 0.00 C ATOM 803 CE1 PHE A 54 -0.980 6.023 4.089 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.221 7.509 2.653 1.00 0.00 C ATOM 805 CZ PHE A 54 0.101 6.279 3.269 1.00 0.00 C ATOM 0 H PHE A 54 -0.612 10.695 4.826 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.517 10.714 5.385 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.846 8.819 3.998 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.914 9.943 3.029 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.780 6.794 4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.638 9.443 2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.078 5.061 4.570 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.064 7.711 2.009 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.851 5.519 3.110 1.00 0.00 H new ATOM 815 N HIS A 55 -3.066 9.359 7.392 1.00 0.00 N ATOM 816 CA HIS A 55 -2.846 8.560 8.592 1.00 0.00 C ATOM 817 C HIS A 55 -4.060 7.686 8.893 1.00 0.00 C ATOM 818 O HIS A 55 -5.196 8.159 8.876 1.00 0.00 O ATOM 819 CB HIS A 55 -2.547 9.466 9.787 1.00 0.00 C ATOM 820 CG HIS A 55 -1.580 8.871 10.763 1.00 0.00 C ATOM 821 ND1 HIS A 55 -1.060 7.601 10.629 1.00 0.00 N ATOM 822 CD2 HIS A 55 -1.037 9.381 11.894 1.00 0.00 C ATOM 823 CE1 HIS A 55 -0.241 7.354 11.635 1.00 0.00 C ATOM 824 NE2 HIS A 55 -0.208 8.418 12.417 1.00 0.00 N ATOM 0 H HIS A 55 -3.870 9.984 7.443 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.988 7.912 8.414 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.147 10.413 9.424 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.480 9.691 10.304 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.275 6.953 9.871 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.221 10.362 12.308 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.309 6.438 11.792 1.00 0.00 H new ATOM 833 N MET A 56 -3.811 6.410 9.167 1.00 0.00 N ATOM 834 CA MET A 56 -4.885 5.471 9.472 1.00 0.00 C ATOM 835 C MET A 56 -4.409 4.399 10.447 1.00 0.00 C ATOM 836 O MET A 56 -3.211 4.258 10.694 1.00 0.00 O ATOM 837 CB MET A 56 -5.400 4.817 8.188 1.00 0.00 C ATOM 838 CG MET A 56 -4.465 4.989 7.002 1.00 0.00 C ATOM 839 SD MET A 56 -5.218 4.482 5.444 1.00 0.00 S ATOM 840 CE MET A 56 -5.248 2.703 5.645 1.00 0.00 C ATOM 0 H MET A 56 -2.876 6.002 9.184 1.00 0.00 H new ATOM 0 HA MET A 56 -5.698 6.027 9.939 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.553 3.753 8.368 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.372 5.242 7.938 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.162 6.034 6.932 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.560 4.405 7.170 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.605 2.239 4.726 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.242 2.345 5.866 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.915 2.441 6.466 1.00 0.00 H new ATOM 850 N VAL A 57 -5.354 3.644 10.998 1.00 0.00 N ATOM 851 CA VAL A 57 -5.031 2.584 11.945 1.00 0.00 C ATOM 852 C VAL A 57 -4.625 3.160 13.297 1.00 0.00 C ATOM 853 O VAL A 57 -3.567 2.828 13.832 1.00 0.00 O ATOM 854 CB VAL A 57 -3.894 1.688 11.418 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.807 0.403 12.228 1.00 0.00 C ATOM 856 CG2 VAL A 57 -4.095 1.386 9.941 1.00 0.00 C ATOM 0 H VAL A 57 -6.350 3.747 10.805 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.932 1.982 12.066 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.951 2.223 11.530 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.998 -0.217 11.841 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.611 0.644 13.273 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.749 -0.140 12.151 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.283 0.752 9.585 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.045 0.871 9.801 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.101 2.318 9.377 1.00 0.00 H new ATOM 866 N ASP A 58 -5.472 4.024 13.845 1.00 0.00 N ATOM 867 CA ASP A 58 -5.203 4.645 15.136 1.00 0.00 C ATOM 868 C ASP A 58 -3.830 5.309 15.144 1.00 0.00 C ATOM 869 O ASP A 58 -3.125 5.289 16.152 1.00 0.00 O ATOM 870 CB ASP A 58 -5.287 3.605 16.254 1.00 0.00 C ATOM 871 CG ASP A 58 -6.688 3.475 16.819 1.00 0.00 C ATOM 872 OD1 ASP A 58 -7.140 4.413 17.509 1.00 0.00 O ATOM 873 OD2 ASP A 58 -7.333 2.434 16.572 1.00 0.00 O ATOM 0 H ASP A 58 -6.351 4.310 13.415 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.959 5.412 15.307 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.961 2.638 15.872 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.600 3.879 17.054 1.00 0.00 H new ATOM 878 N GLY A 59 -3.455 5.896 14.011 1.00 0.00 N ATOM 879 CA GLY A 59 -2.166 6.556 13.909 1.00 0.00 C ATOM 880 C GLY A 59 -1.010 5.577 13.934 1.00 0.00 C ATOM 881 O GLY A 59 -0.076 5.730 14.719 1.00 0.00 O ATOM 0 H GLY A 59 -4.020 5.926 13.163 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.129 7.133 12.985 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.057 7.263 14.731 1.00 0.00 H new ATOM 885 N ASN A 60 -1.073 4.567 13.072 1.00 0.00 N ATOM 886 CA ASN A 60 -0.023 3.557 13.000 1.00 0.00 C ATOM 887 C ASN A 60 0.629 3.547 11.621 1.00 0.00 C ATOM 888 O ASN A 60 1.764 3.098 11.462 1.00 0.00 O ATOM 889 CB ASN A 60 -0.595 2.173 13.316 1.00 0.00 C ATOM 890 CG ASN A 60 -0.512 1.837 14.793 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.263 0.973 15.202 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.314 2.521 15.601 1.00 0.00 N ATOM 0 H ASN A 60 -1.840 4.426 12.414 1.00 0.00 H new ATOM 0 HA ASN A 60 0.737 3.806 13.740 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.636 2.131 12.994 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.054 1.420 12.744 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.303 2.339 16.605 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.941 3.229 15.218 1.00 0.00 H new ATOM 899 N VAL A 61 -0.098 4.046 10.625 1.00 0.00 N ATOM 900 CA VAL A 61 0.410 4.096 9.259 1.00 0.00 C ATOM 901 C VAL A 61 0.233 5.486 8.659 1.00 0.00 C ATOM 902 O VAL A 61 -0.889 5.962 8.487 1.00 0.00 O ATOM 903 CB VAL A 61 -0.298 3.066 8.359 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.204 3.173 6.928 1.00 0.00 C ATOM 905 CG2 VAL A 61 -0.096 1.659 8.900 1.00 0.00 C ATOM 0 H VAL A 61 -1.040 4.421 10.739 1.00 0.00 H new ATOM 0 HA VAL A 61 1.472 3.856 9.306 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.367 3.281 8.360 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.308 2.438 6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.003 4.174 6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.277 2.985 6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.603 0.944 8.252 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.969 1.430 8.930 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.510 1.593 9.906 1.00 0.00 H new ATOM 915 N SER A 62 1.350 6.134 8.341 1.00 0.00 N ATOM 916 CA SER A 62 1.319 7.471 7.762 1.00 0.00 C ATOM 917 C SER A 62 2.052 7.501 6.423 1.00 0.00 C ATOM 918 O SER A 62 2.686 6.524 6.028 1.00 0.00 O ATOM 919 CB SER A 62 1.950 8.481 8.723 1.00 0.00 C ATOM 920 OG SER A 62 3.271 8.101 9.066 1.00 0.00 O ATOM 0 H SER A 62 2.287 5.754 8.475 1.00 0.00 H new ATOM 0 HA SER A 62 0.277 7.742 7.593 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.960 9.469 8.262 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.344 8.557 9.626 1.00 0.00 H new ATOM 0 HG SER A 62 3.653 8.763 9.679 1.00 0.00 H new ATOM 926 N GLY A 63 1.958 8.632 5.730 1.00 0.00 N ATOM 927 CA GLY A 63 2.615 8.769 4.443 1.00 0.00 C ATOM 928 C GLY A 63 2.391 10.132 3.820 1.00 0.00 C ATOM 929 O GLY A 63 1.922 11.056 4.485 1.00 0.00 O ATOM 0 H GLY A 63 1.439 9.455 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.685 8.600 4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.246 7.998 3.766 1.00 0.00 H new ATOM 933 N GLU A 64 2.727 10.259 2.540 1.00 0.00 N ATOM 934 CA GLU A 64 2.561 11.521 1.828 1.00 0.00 C ATOM 935 C GLU A 64 2.249 11.277 0.355 1.00 0.00 C ATOM 936 O GLU A 64 2.878 10.442 -0.295 1.00 0.00 O ATOM 937 CB GLU A 64 3.823 12.375 1.959 1.00 0.00 C ATOM 938 CG GLU A 64 4.839 12.134 0.855 1.00 0.00 C ATOM 939 CD GLU A 64 6.035 13.062 0.950 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.390 13.457 2.080 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.615 13.393 -0.105 1.00 0.00 O ATOM 0 H GLU A 64 3.116 9.504 1.975 1.00 0.00 H new ATOM 0 HA GLU A 64 1.722 12.054 2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.541 13.428 1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.291 12.172 2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.181 11.100 0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.356 12.267 -0.113 1.00 0.00 H new ATOM 948 N PHE A 65 1.272 12.013 -0.167 1.00 0.00 N ATOM 949 CA PHE A 65 0.875 11.877 -1.563 1.00 0.00 C ATOM 950 C PHE A 65 1.893 12.541 -2.486 1.00 0.00 C ATOM 951 O PHE A 65 2.244 13.707 -2.305 1.00 0.00 O ATOM 952 CB PHE A 65 -0.508 12.493 -1.784 1.00 0.00 C ATOM 953 CG PHE A 65 -1.635 11.625 -1.299 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.479 10.826 -0.178 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.850 11.609 -1.965 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.514 10.027 0.270 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.888 10.813 -1.520 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.720 10.020 -0.402 1.00 0.00 C ATOM 0 H PHE A 65 0.741 12.709 0.356 1.00 0.00 H new ATOM 0 HA PHE A 65 0.834 10.814 -1.801 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.555 13.455 -1.273 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.643 12.690 -2.847 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.538 10.827 0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.987 12.225 -2.841 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.379 9.409 1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.831 10.811 -2.047 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.530 9.396 -0.054 1.00 0.00 H new ATOM 968 N THR A 66 2.364 11.789 -3.476 1.00 0.00 N ATOM 969 CA THR A 66 3.342 12.303 -4.426 1.00 0.00 C ATOM 970 C THR A 66 2.710 12.537 -5.794 1.00 0.00 C ATOM 971 O THR A 66 3.041 13.501 -6.484 1.00 0.00 O ATOM 972 CB THR A 66 4.533 11.339 -4.582 1.00 0.00 C ATOM 973 OG1 THR A 66 4.063 10.031 -4.925 1.00 0.00 O ATOM 974 CG2 THR A 66 5.346 11.270 -3.297 1.00 0.00 C ATOM 0 H THR A 66 2.084 10.822 -3.640 1.00 0.00 H new ATOM 0 HA THR A 66 3.701 13.252 -4.028 1.00 0.00 H new ATOM 0 HB THR A 66 5.174 11.715 -5.379 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.084 10.017 -4.895 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.182 10.583 -3.432 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.727 12.262 -3.054 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.712 10.916 -2.484 1.00 0.00 H new ATOM 982 N ASP A 67 1.799 11.650 -6.179 1.00 0.00 N ATOM 983 CA ASP A 67 1.119 11.761 -7.464 1.00 0.00 C ATOM 984 C ASP A 67 -0.352 11.380 -7.335 1.00 0.00 C ATOM 985 O ASP A 67 -0.705 10.467 -6.587 1.00 0.00 O ATOM 986 CB ASP A 67 1.800 10.870 -8.504 1.00 0.00 C ATOM 987 CG ASP A 67 1.677 11.423 -9.910 1.00 0.00 C ATOM 988 OD1 ASP A 67 0.563 11.375 -10.471 1.00 0.00 O ATOM 989 OD2 ASP A 67 2.696 11.904 -10.450 1.00 0.00 O ATOM 0 H ASP A 67 1.514 10.846 -5.619 1.00 0.00 H new ATOM 0 HA ASP A 67 1.180 12.799 -7.791 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.855 10.761 -8.250 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.359 9.874 -8.469 1.00 0.00 H new ATOM 994 N LEU A 68 -1.207 12.087 -8.067 1.00 0.00 N ATOM 995 CA LEU A 68 -2.641 11.824 -8.033 1.00 0.00 C ATOM 996 C LEU A 68 -3.263 12.019 -9.413 1.00 0.00 C ATOM 997 O LEU A 68 -3.372 13.144 -9.903 1.00 0.00 O ATOM 998 CB LEU A 68 -3.325 12.742 -7.019 1.00 0.00 C ATOM 999 CG LEU A 68 -2.947 12.523 -5.554 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.460 13.667 -4.693 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.493 11.192 -5.056 1.00 0.00 C ATOM 0 H LEU A 68 -0.932 12.846 -8.690 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.788 10.787 -7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.096 13.775 -7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.404 12.619 -7.117 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.860 12.499 -5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.181 13.493 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.021 14.605 -5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.546 13.724 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.215 11.052 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.579 11.188 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.077 10.381 -5.654 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.671 10.917 -10.034 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.285 10.967 -11.355 1.00 0.00 C ATOM 1015 C VAL A 69 -5.761 10.590 -11.290 1.00 0.00 C ATOM 1016 O VAL A 69 -6.159 9.660 -10.588 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.569 10.027 -12.343 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -4.060 10.268 -13.762 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -2.061 10.208 -12.253 1.00 0.00 C ATOM 0 H VAL A 69 -3.587 9.979 -9.643 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.191 11.994 -11.709 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.805 8.998 -12.073 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.543 9.595 -14.445 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.133 10.082 -13.812 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.857 11.300 -14.047 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.571 9.536 -12.958 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.803 11.239 -12.495 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.727 9.979 -11.241 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.593 11.328 -12.040 1.00 0.00 N ATOM 1030 CA PRO A 70 -8.039 11.089 -12.085 1.00 0.00 C ATOM 1031 C PRO A 70 -8.377 9.617 -12.297 1.00 0.00 C ATOM 1032 O PRO A 70 -8.120 9.059 -13.363 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.498 11.921 -13.285 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.485 13.006 -13.404 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.188 12.452 -12.900 1.00 0.00 C ATOM 0 HA PRO A 70 -8.527 11.360 -11.149 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.540 11.318 -14.192 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.497 12.328 -13.126 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.389 13.332 -14.440 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.784 13.878 -12.822 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.551 12.119 -13.719 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.624 13.199 -12.342 1.00 0.00 H new ATOM 1043 N GLU A 71 -8.955 8.994 -11.274 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.327 7.587 -11.349 1.00 0.00 C ATOM 1045 C GLU A 71 -8.385 6.823 -12.276 1.00 0.00 C ATOM 1046 O GLU A 71 -8.825 6.074 -13.148 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.769 7.443 -11.840 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.763 8.290 -11.064 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.152 8.267 -11.673 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.475 7.286 -12.375 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.915 9.229 -11.448 1.00 0.00 O ATOM 0 H GLU A 71 -9.175 9.442 -10.384 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.247 7.163 -10.348 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.814 7.718 -12.894 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.065 6.396 -11.771 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.815 7.931 -10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.405 9.319 -11.025 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.085 7.020 -12.081 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.079 6.351 -12.897 1.00 0.00 C ATOM 1060 C LYS A 72 -5.069 5.616 -12.021 1.00 0.00 C ATOM 1061 O LYS A 72 -4.892 4.403 -12.145 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.355 7.366 -13.784 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.097 7.686 -15.071 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.137 7.893 -16.231 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.868 6.591 -16.970 1.00 0.00 C ATOM 1066 NZ LYS A 72 -3.791 5.796 -16.317 1.00 0.00 N ATOM 0 H LYS A 72 -6.704 7.638 -11.365 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.586 5.621 -13.528 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.207 8.287 -13.221 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.366 6.980 -14.031 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.785 6.874 -15.307 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.699 8.584 -14.931 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.553 8.626 -16.922 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.198 8.302 -15.859 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.783 6.000 -17.009 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.585 6.809 -18.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.472 5.047 -16.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.990 6.419 -16.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.157 5.367 -15.444 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.411 6.356 -11.135 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.420 5.773 -10.237 1.00 0.00 C ATOM 1082 C HIS A 73 -3.076 6.739 -9.107 1.00 0.00 C ATOM 1083 O HIS A 73 -3.357 7.935 -9.193 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.155 5.403 -11.010 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.042 6.393 -10.848 1.00 0.00 C ATOM 1086 ND1 HIS A 73 -1.066 7.742 -10.743 1.00 0.00 N flip ATOM 1087 CD2 HIS A 73 0.285 6.028 -10.779 1.00 0.00 C flip ATOM 1088 CE1 HIS A 73 0.234 8.163 -10.612 1.00 0.00 C flip ATOM 1089 NE2 HIS A 73 1.030 7.109 -10.636 1.00 0.00 N flip ATOM 0 H HIS A 73 -4.546 7.360 -11.019 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.847 4.870 -9.802 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.810 4.424 -10.678 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.399 5.313 -12.069 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.658 5.016 -10.833 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.554 9.189 -10.506 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.047 7.127 -10.557 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.468 6.212 -8.050 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.086 7.028 -6.904 1.00 0.00 C ATOM 1100 C ILE A 74 -0.721 6.613 -6.364 1.00 0.00 C ATOM 1101 O ILE A 74 -0.469 5.432 -6.125 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.124 6.930 -5.771 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.508 7.338 -6.282 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.710 7.802 -4.595 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.633 6.962 -5.344 1.00 0.00 C ATOM 0 H ILE A 74 -2.229 5.224 -7.963 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.038 8.059 -7.254 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.172 5.895 -5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.524 8.416 -6.442 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.681 6.869 -7.251 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.454 7.722 -3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.742 7.470 -4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.637 8.840 -4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.584 7.282 -5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.643 5.881 -5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.484 7.452 -4.382 1.00 0.00 H new ATOM 1117 N VAL A 75 0.157 7.593 -6.173 1.00 0.00 N ATOM 1118 CA VAL A 75 1.496 7.331 -5.659 1.00 0.00 C ATOM 1119 C VAL A 75 1.735 8.070 -4.347 1.00 0.00 C ATOM 1120 O VAL A 75 1.666 9.297 -4.294 1.00 0.00 O ATOM 1121 CB VAL A 75 2.578 7.744 -6.674 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.951 7.282 -6.209 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.257 7.186 -8.052 1.00 0.00 C ATOM 0 H VAL A 75 -0.035 8.576 -6.367 1.00 0.00 H new ATOM 0 HA VAL A 75 1.564 6.257 -5.485 1.00 0.00 H new ATOM 0 HB VAL A 75 2.591 8.832 -6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.703 7.583 -6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.180 7.735 -5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.955 6.197 -6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.032 7.488 -8.756 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.215 6.098 -8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.294 7.572 -8.385 1.00 0.00 H new ATOM 1133 N MET A 76 2.016 7.314 -3.291 1.00 0.00 N ATOM 1134 CA MET A 76 2.268 7.898 -1.979 1.00 0.00 C ATOM 1135 C MET A 76 3.236 7.035 -1.176 1.00 0.00 C ATOM 1136 O MET A 76 3.559 5.914 -1.571 1.00 0.00 O ATOM 1137 CB MET A 76 0.955 8.062 -1.210 1.00 0.00 C ATOM 1138 CG MET A 76 0.472 6.780 -0.552 1.00 0.00 C ATOM 1139 SD MET A 76 -1.277 6.840 -0.115 1.00 0.00 S ATOM 1140 CE MET A 76 -1.830 5.245 -0.712 1.00 0.00 C ATOM 0 H MET A 76 2.075 6.296 -3.318 1.00 0.00 H new ATOM 0 HA MET A 76 2.720 8.879 -2.126 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.085 8.827 -0.444 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.186 8.422 -1.893 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.645 5.942 -1.227 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.061 6.593 0.346 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.896 5.132 -0.514 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.651 5.176 -1.785 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.280 4.455 -0.201 1.00 0.00 H new ATOM 1150 N LYS A 77 3.697 7.564 -0.047 1.00 0.00 N ATOM 1151 CA LYS A 77 4.628 6.842 0.812 1.00 0.00 C ATOM 1152 C LYS A 77 3.879 6.018 1.854 1.00 0.00 C ATOM 1153 O LYS A 77 2.772 6.372 2.261 1.00 0.00 O ATOM 1154 CB LYS A 77 5.577 7.821 1.506 1.00 0.00 C ATOM 1155 CG LYS A 77 6.706 8.309 0.615 1.00 0.00 C ATOM 1156 CD LYS A 77 7.787 9.012 1.420 1.00 0.00 C ATOM 1157 CE LYS A 77 7.491 10.496 1.575 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.662 11.242 2.114 1.00 0.00 N ATOM 0 H LYS A 77 3.441 8.490 0.294 1.00 0.00 H new ATOM 0 HA LYS A 77 5.209 6.164 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.006 8.680 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.002 7.339 2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.140 7.464 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.309 8.991 -0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.867 8.551 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.751 8.882 0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.209 10.913 0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.638 10.629 2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.394 12.232 2.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.969 10.807 3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.442 11.208 1.427 1.00 0.00 H new ATOM 1172 N TRP A 78 4.489 4.919 2.283 1.00 0.00 N ATOM 1173 CA TRP A 78 3.880 4.046 3.280 1.00 0.00 C ATOM 1174 C TRP A 78 4.901 3.623 4.330 1.00 0.00 C ATOM 1175 O TRP A 78 6.058 3.351 4.010 1.00 0.00 O ATOM 1176 CB TRP A 78 3.281 2.810 2.607 1.00 0.00 C ATOM 1177 CG TRP A 78 2.204 2.155 3.418 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.856 2.270 3.234 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.386 1.286 4.541 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.188 1.524 4.176 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.104 0.911 4.989 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.506 0.787 5.211 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.915 0.061 6.075 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.316 -0.056 6.289 1.00 0.00 C ATOM 1185 CH2 TRP A 78 2.029 -0.413 6.713 1.00 0.00 C ATOM 0 H TRP A 78 5.405 4.611 1.956 1.00 0.00 H new ATOM 0 HA TRP A 78 3.085 4.602 3.777 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.873 3.095 1.637 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.075 2.087 2.419 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.384 2.860 2.462 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.825 1.441 4.256 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.502 1.055 4.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.076 -0.215 6.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.175 -0.447 6.814 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.914 -1.074 7.559 1.00 0.00 H new ATOM 1196 N ARG A 79 4.466 3.571 5.585 1.00 0.00 N ATOM 1197 CA ARG A 79 5.343 3.182 6.683 1.00 0.00 C ATOM 1198 C ARG A 79 4.547 2.973 7.967 1.00 0.00 C ATOM 1199 O ARG A 79 3.408 3.426 8.085 1.00 0.00 O ATOM 1200 CB ARG A 79 6.419 4.247 6.905 1.00 0.00 C ATOM 1201 CG ARG A 79 5.880 5.548 7.478 1.00 0.00 C ATOM 1202 CD ARG A 79 6.915 6.244 8.347 1.00 0.00 C ATOM 1203 NE ARG A 79 7.111 5.559 9.621 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.583 6.154 10.711 1.00 0.00 C ATOM 1205 NH1 ARG A 79 7.905 7.439 10.682 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.732 5.462 11.834 1.00 0.00 N ATOM 0 H ARG A 79 3.511 3.793 5.867 1.00 0.00 H new ATOM 0 HA ARG A 79 5.822 2.240 6.416 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.178 3.850 7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.913 4.455 5.956 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.582 6.209 6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.986 5.345 8.067 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.863 6.293 7.812 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.601 7.271 8.532 1.00 0.00 H new ATOM 0 HE ARG A 79 6.872 4.569 9.677 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.791 7.974 9.821 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.267 7.893 11.521 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.484 4.473 11.860 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.094 5.919 12.671 1.00 0.00 H new ATOM 1220 N PHE A 80 5.153 2.283 8.927 1.00 0.00 N ATOM 1221 CA PHE A 80 4.501 2.012 10.203 1.00 0.00 C ATOM 1222 C PHE A 80 4.910 3.041 11.253 1.00 0.00 C ATOM 1223 O PHE A 80 5.893 3.762 11.082 1.00 0.00 O ATOM 1224 CB PHE A 80 4.850 0.604 10.690 1.00 0.00 C ATOM 1225 CG PHE A 80 3.851 -0.439 10.274 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.493 -0.219 10.437 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.271 -1.638 9.722 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.571 -1.176 10.055 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.354 -2.599 9.339 1.00 0.00 C ATOM 1230 CZ PHE A 80 2.003 -2.368 9.507 1.00 0.00 C ATOM 0 H PHE A 80 6.095 1.901 8.846 1.00 0.00 H new ATOM 0 HA PHE A 80 3.424 2.081 10.053 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.832 0.328 10.306 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.923 0.612 11.777 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.151 0.711 10.867 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.327 -1.824 9.589 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.515 -0.992 10.185 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.694 -3.529 8.909 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.285 -3.118 9.210 1.00 0.00 H new ATOM 1240 N LYS A 81 4.147 3.104 12.339 1.00 0.00 N ATOM 1241 CA LYS A 81 4.428 4.043 13.418 1.00 0.00 C ATOM 1242 C LYS A 81 5.609 3.568 14.259 1.00 0.00 C ATOM 1243 O LYS A 81 6.026 4.245 15.199 1.00 0.00 O ATOM 1244 CB LYS A 81 3.194 4.217 14.305 1.00 0.00 C ATOM 1245 CG LYS A 81 3.485 4.914 15.623 1.00 0.00 C ATOM 1246 CD LYS A 81 3.829 3.918 16.717 1.00 0.00 C ATOM 1247 CE LYS A 81 2.581 3.253 17.279 1.00 0.00 C ATOM 1248 NZ LYS A 81 2.914 2.081 18.134 1.00 0.00 N ATOM 0 H LYS A 81 3.329 2.515 12.495 1.00 0.00 H new ATOM 0 HA LYS A 81 4.685 5.004 12.972 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.443 4.788 13.760 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.763 3.237 14.509 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.312 5.612 15.492 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.618 5.501 15.924 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.500 3.157 16.319 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.364 4.427 17.519 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.014 3.979 17.862 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.939 2.933 16.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.037 1.656 18.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.433 1.377 17.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.505 2.390 18.932 1.00 0.00 H new ATOM 1262 N SER A 82 6.144 2.401 13.914 1.00 0.00 N ATOM 1263 CA SER A 82 7.275 1.835 14.639 1.00 0.00 C ATOM 1264 C SER A 82 8.511 1.764 13.747 1.00 0.00 C ATOM 1265 O SER A 82 9.629 1.582 14.230 1.00 0.00 O ATOM 1266 CB SER A 82 6.927 0.439 15.160 1.00 0.00 C ATOM 1267 OG SER A 82 8.007 -0.117 15.889 1.00 0.00 O ATOM 0 H SER A 82 5.812 1.829 13.137 1.00 0.00 H new ATOM 0 HA SER A 82 7.496 2.486 15.485 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.044 0.495 15.797 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.675 -0.213 14.323 1.00 0.00 H new ATOM 0 HG SER A 82 8.845 0.301 15.601 1.00 0.00 H new ATOM 1273 N TRP A 83 8.301 1.907 12.444 1.00 0.00 N ATOM 1274 CA TRP A 83 9.398 1.859 11.483 1.00 0.00 C ATOM 1275 C TRP A 83 10.484 2.865 11.846 1.00 0.00 C ATOM 1276 O TRP A 83 10.249 3.835 12.569 1.00 0.00 O ATOM 1277 CB TRP A 83 8.879 2.137 10.072 1.00 0.00 C ATOM 1278 CG TRP A 83 8.369 0.912 9.375 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.050 -0.285 9.949 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.121 0.765 7.972 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.618 -1.167 8.988 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.652 -0.547 7.767 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.247 1.615 6.870 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.311 -1.027 6.506 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 7.909 1.137 5.618 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.445 -0.174 5.444 1.00 0.00 C ATOM 0 H TRP A 83 7.382 2.057 12.028 1.00 0.00 H new ATOM 0 HA TRP A 83 9.831 0.859 11.513 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.079 2.875 10.126 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.680 2.577 9.478 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.126 -0.506 11.003 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.320 -2.128 9.157 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.602 2.627 6.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 6.953 -2.037 6.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.004 1.785 4.759 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.188 -0.518 4.453 1.00 0.00 H new ATOM 1333 N HIS A 87 12.062 6.561 7.237 1.00 0.00 N ATOM 1334 CA HIS A 87 12.059 5.375 6.389 1.00 0.00 C ATOM 1335 C HIS A 87 10.650 5.069 5.888 1.00 0.00 C ATOM 1336 O HIS A 87 9.822 4.532 6.624 1.00 0.00 O ATOM 1337 CB HIS A 87 12.612 4.173 7.155 1.00 0.00 C ATOM 1338 CG HIS A 87 13.012 3.032 6.271 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.325 2.746 5.960 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.264 2.102 5.633 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.366 1.690 5.166 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.129 1.280 4.954 1.00 0.00 N ATOM 0 HA HIS A 87 12.697 5.573 5.528 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.476 4.491 7.738 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.860 3.827 7.863 1.00 0.00 H new ATOM 0 HD1 HIS A 87 15.137 3.267 6.291 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.187 2.021 5.654 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.259 1.239 4.760 1.00 0.00 H new ATOM 1351 N PHE A 88 10.386 5.414 4.633 1.00 0.00 N ATOM 1352 CA PHE A 88 9.077 5.179 4.034 1.00 0.00 C ATOM 1353 C PHE A 88 9.200 4.319 2.780 1.00 0.00 C ATOM 1354 O PHE A 88 10.300 4.084 2.280 1.00 0.00 O ATOM 1355 CB PHE A 88 8.403 6.508 3.691 1.00 0.00 C ATOM 1356 CG PHE A 88 8.082 7.346 4.896 1.00 0.00 C ATOM 1357 CD1 PHE A 88 9.094 7.836 5.704 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.767 7.643 5.219 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.802 8.608 6.814 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.470 8.415 6.326 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.488 8.897 7.125 1.00 0.00 C ATOM 0 H PHE A 88 11.061 5.858 4.010 1.00 0.00 H new ATOM 0 HA PHE A 88 8.463 4.646 4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.054 7.076 3.027 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.483 6.309 3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.123 7.613 5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.966 7.267 4.599 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.600 8.984 7.436 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.442 8.641 6.566 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.257 9.499 7.991 1.00 0.00 H new ATOM 1371 N ALA A 89 8.062 3.852 2.276 1.00 0.00 N ATOM 1372 CA ALA A 89 8.041 3.019 1.080 1.00 0.00 C ATOM 1373 C ALA A 89 7.181 3.648 -0.011 1.00 0.00 C ATOM 1374 O ALA A 89 6.048 4.061 0.238 1.00 0.00 O ATOM 1375 CB ALA A 89 7.534 1.624 1.416 1.00 0.00 C ATOM 0 H ALA A 89 7.143 4.037 2.678 1.00 0.00 H new ATOM 0 HA ALA A 89 9.061 2.941 0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.524 1.013 0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.191 1.167 2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.524 1.691 1.820 1.00 0.00 H new ATOM 1381 N THR A 90 7.726 3.718 -1.222 1.00 0.00 N ATOM 1382 CA THR A 90 7.009 4.298 -2.350 1.00 0.00 C ATOM 1383 C THR A 90 5.968 3.328 -2.897 1.00 0.00 C ATOM 1384 O THR A 90 6.311 2.303 -3.488 1.00 0.00 O ATOM 1385 CB THR A 90 7.973 4.692 -3.485 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.066 5.453 -2.957 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.252 5.504 -4.550 1.00 0.00 C ATOM 0 H THR A 90 8.662 3.380 -1.446 1.00 0.00 H new ATOM 0 HA THR A 90 6.509 5.193 -1.980 1.00 0.00 H new ATOM 0 HB THR A 90 8.353 3.779 -3.942 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.675 5.698 -3.684 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.953 5.771 -5.341 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.439 4.912 -4.970 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.847 6.412 -4.103 1.00 0.00 H new ATOM 1395 N ILE A 91 4.697 3.658 -2.698 1.00 0.00 N ATOM 1396 CA ILE A 91 3.606 2.816 -3.174 1.00 0.00 C ATOM 1397 C ILE A 91 2.859 3.483 -4.325 1.00 0.00 C ATOM 1398 O ILE A 91 2.516 4.663 -4.257 1.00 0.00 O ATOM 1399 CB ILE A 91 2.608 2.497 -2.045 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.182 1.427 -1.115 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.278 2.043 -2.627 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.404 1.884 -0.349 1.00 0.00 C ATOM 0 H ILE A 91 4.397 4.502 -2.211 1.00 0.00 H new ATOM 0 HA ILE A 91 4.054 1.886 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 91 2.437 3.403 -1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.412 1.122 -0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.440 0.546 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.583 1.821 -1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.865 2.835 -3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.431 1.147 -3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.757 1.074 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.191 2.161 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.146 2.746 0.266 1.00 0.00 H new ATOM 1414 N THR A 92 2.607 2.717 -5.382 1.00 0.00 N ATOM 1415 CA THR A 92 1.900 3.232 -6.548 1.00 0.00 C ATOM 1416 C THR A 92 0.715 2.343 -6.908 1.00 0.00 C ATOM 1417 O THR A 92 0.878 1.300 -7.542 1.00 0.00 O ATOM 1418 CB THR A 92 2.834 3.342 -7.767 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.909 4.245 -7.482 1.00 0.00 O ATOM 1420 CG2 THR A 92 2.071 3.826 -8.991 1.00 0.00 C ATOM 0 H THR A 92 2.882 1.737 -5.454 1.00 0.00 H new ATOM 0 HA THR A 92 1.539 4.226 -6.286 1.00 0.00 H new ATOM 0 HB THR A 92 3.238 2.352 -7.977 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.499 4.308 -8.262 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.751 3.896 -9.840 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.272 3.122 -9.224 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.642 4.807 -8.788 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.478 2.763 -6.502 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.692 2.006 -6.784 1.00 0.00 C ATOM 1430 C LEU A 93 -2.218 2.319 -8.181 1.00 0.00 C ATOM 1431 O LEU A 93 -1.740 3.239 -8.845 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.766 2.319 -5.740 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.621 1.609 -4.394 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.431 2.323 -3.323 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -3.052 0.154 -4.509 1.00 0.00 C ATOM 0 H LEU A 93 -0.630 3.624 -5.976 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.447 0.945 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.769 3.394 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.738 2.063 -6.160 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.571 1.635 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.315 1.803 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.076 3.348 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.483 2.330 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.942 -0.336 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.095 0.107 -4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.428 -0.353 -5.245 1.00 0.00 H new ATOM 1447 N THR A 94 -3.208 1.549 -8.622 1.00 0.00 N ATOM 1448 CA THR A 94 -3.800 1.745 -9.939 1.00 0.00 C ATOM 1449 C THR A 94 -5.205 1.156 -10.004 1.00 0.00 C ATOM 1450 O THR A 94 -5.446 0.045 -9.529 1.00 0.00 O ATOM 1451 CB THR A 94 -2.937 1.106 -11.043 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.552 1.187 -10.690 1.00 0.00 O ATOM 1453 CG2 THR A 94 -3.166 1.799 -12.378 1.00 0.00 C ATOM 0 H THR A 94 -3.617 0.784 -8.086 1.00 0.00 H new ATOM 0 HA THR A 94 -3.852 2.821 -10.105 1.00 0.00 H new ATOM 0 HB THR A 94 -3.227 0.060 -11.140 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.010 0.777 -11.396 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.546 1.331 -13.142 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.216 1.711 -12.658 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.901 2.853 -12.291 1.00 0.00 H new ATOM 1461 N PHE A 95 -6.129 1.906 -10.594 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.511 1.457 -10.720 1.00 0.00 C ATOM 1463 C PHE A 95 -7.826 1.064 -12.161 1.00 0.00 C ATOM 1464 O PHE A 95 -7.687 1.871 -13.080 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.471 2.556 -10.259 1.00 0.00 C ATOM 1466 CG PHE A 95 -8.140 3.110 -8.903 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -7.041 3.935 -8.726 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.928 2.806 -7.804 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.734 4.445 -7.479 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.626 3.313 -6.555 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.528 4.135 -6.392 1.00 0.00 C ATOM 0 H PHE A 95 -5.947 2.827 -10.992 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.641 0.580 -10.085 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.459 3.367 -10.987 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.486 2.158 -10.242 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.417 4.182 -9.572 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.789 2.165 -7.926 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.874 5.086 -7.354 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.248 3.067 -5.707 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.291 4.534 -5.417 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.249 -0.182 -12.349 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.583 -0.682 -13.676 1.00 0.00 C ATOM 1483 C ILE A 96 -10.075 -0.977 -13.793 1.00 0.00 C ATOM 1484 O ILE A 96 -10.744 -1.252 -12.796 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.791 -1.960 -14.012 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.294 -1.729 -13.798 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -8.067 -2.392 -15.444 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.481 -3.004 -13.791 1.00 0.00 C ATOM 0 H ILE A 96 -8.368 -0.863 -11.599 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.313 0.100 -14.385 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.115 -2.758 -13.344 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.920 -1.073 -14.584 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.147 -1.208 -12.852 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.501 -3.296 -15.667 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.132 -2.592 -15.565 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.767 -1.598 -16.128 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.429 -2.764 -13.635 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.829 -3.653 -12.987 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.598 -3.516 -14.746 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.590 -0.920 -15.016 1.00 0.00 N ATOM 1501 CA ASP A 97 -12.002 -1.184 -15.264 1.00 0.00 C ATOM 1502 C ASP A 97 -12.197 -2.566 -15.879 1.00 0.00 C ATOM 1503 O ASP A 97 -11.545 -2.918 -16.862 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.589 -0.114 -16.187 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.838 -0.588 -16.902 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -14.908 -0.633 -16.260 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -13.746 -0.915 -18.104 1.00 0.00 O ATOM 0 H ASP A 97 -10.050 -0.693 -15.851 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.525 -1.155 -14.308 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.824 0.776 -15.603 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.840 0.176 -16.924 1.00 0.00 H new ATOM 1512 N LYS A 98 -13.099 -3.347 -15.293 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.381 -4.691 -15.782 1.00 0.00 C ATOM 1514 C LYS A 98 -14.867 -4.862 -16.078 1.00 0.00 C ATOM 1515 O LYS A 98 -15.352 -5.980 -16.242 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.931 -5.734 -14.757 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.502 -5.540 -14.279 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.516 -6.306 -15.144 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.243 -6.636 -14.380 1.00 0.00 C ATOM 1520 NZ LYS A 98 -8.261 -7.367 -15.228 1.00 0.00 N ATOM 0 H LYS A 98 -13.647 -3.071 -14.478 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.825 -4.837 -16.708 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.601 -5.699 -13.898 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.027 -6.727 -15.196 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.253 -4.479 -14.294 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.415 -5.873 -13.245 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.979 -7.228 -15.497 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.269 -5.715 -16.026 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.791 -5.715 -14.013 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.490 -7.240 -13.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.407 -7.574 -14.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.683 -8.258 -15.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.006 -6.780 -16.048 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.585 -3.745 -16.145 1.00 0.00 N ATOM 1535 CA ASN A 99 -17.016 -3.772 -16.422 1.00 0.00 C ATOM 1536 C ASN A 99 -17.794 -4.287 -15.215 1.00 0.00 C ATOM 1537 O ASN A 99 -18.631 -5.180 -15.337 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.305 -4.650 -17.641 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.521 -4.181 -18.416 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.411 -3.365 -19.331 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.689 -4.697 -18.052 1.00 0.00 N ATOM 0 H ASN A 99 -15.199 -2.810 -16.011 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.339 -2.752 -16.633 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.436 -4.651 -18.299 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.459 -5.679 -17.316 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.542 -4.420 -18.537 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.733 -5.371 -17.287 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.512 -3.716 -14.047 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.194 -4.129 -12.835 1.00 0.00 C ATOM 1550 C GLY A 100 -17.256 -4.234 -11.649 1.00 0.00 C ATOM 1551 O GLY A 100 -17.651 -3.977 -10.513 1.00 0.00 O ATOM 0 H GLY A 100 -16.823 -2.975 -13.919 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.986 -3.416 -12.606 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.673 -5.094 -13.002 1.00 0.00 H new ATOM 1555 N GLU A 101 -16.010 -4.614 -11.914 1.00 0.00 N ATOM 1556 CA GLU A 101 -15.014 -4.755 -10.858 1.00 0.00 C ATOM 1557 C GLU A 101 -13.816 -3.844 -11.115 1.00 0.00 C ATOM 1558 O GLU A 101 -13.695 -3.244 -12.184 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.549 -6.209 -10.755 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.691 -7.208 -10.673 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.227 -8.591 -10.260 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.290 -8.682 -9.440 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.801 -9.583 -10.757 1.00 0.00 O ATOM 0 H GLU A 101 -15.666 -4.830 -12.850 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.477 -4.462 -9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.931 -6.446 -11.621 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.918 -6.318 -9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.432 -6.849 -9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.186 -7.269 -11.642 1.00 0.00 H new ATOM 1570 N THR A 102 -12.933 -3.745 -10.127 1.00 0.00 N ATOM 1571 CA THR A 102 -11.746 -2.907 -10.243 1.00 0.00 C ATOM 1572 C THR A 102 -10.503 -3.644 -9.760 1.00 0.00 C ATOM 1573 O THR A 102 -10.446 -4.101 -8.619 1.00 0.00 O ATOM 1574 CB THR A 102 -11.899 -1.601 -9.441 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.995 -0.836 -9.955 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.624 -0.775 -9.503 1.00 0.00 C ATOM 0 H THR A 102 -13.017 -4.235 -9.237 1.00 0.00 H new ATOM 0 HA THR A 102 -11.633 -2.664 -11.300 1.00 0.00 H new ATOM 0 HB THR A 102 -12.094 -1.860 -8.400 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.834 -1.315 -9.790 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.756 0.142 -8.929 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.798 -1.349 -9.084 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.402 -0.525 -10.541 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.508 -3.755 -10.635 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.265 -4.438 -10.295 1.00 0.00 C ATOM 1586 C GLU A 103 -7.238 -3.454 -9.744 1.00 0.00 C ATOM 1587 O GLU A 103 -6.643 -2.676 -10.491 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.697 -5.151 -11.524 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.399 -5.891 -11.252 1.00 0.00 C ATOM 1590 CD GLU A 103 -5.932 -6.708 -12.441 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -5.245 -6.141 -13.316 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -6.254 -7.913 -12.497 1.00 0.00 O ATOM 0 H GLU A 103 -9.538 -3.381 -11.584 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.484 -5.177 -9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.437 -5.858 -11.898 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.529 -4.418 -12.313 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.625 -5.172 -10.984 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.534 -6.550 -10.394 1.00 0.00 H new ATOM 1599 N LEU A 104 -7.034 -3.494 -8.432 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.078 -2.606 -7.779 1.00 0.00 C ATOM 1601 C LEU A 104 -4.669 -3.188 -7.833 1.00 0.00 C ATOM 1602 O LEU A 104 -4.373 -4.187 -7.175 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.487 -2.366 -6.324 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.662 -1.333 -5.557 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -5.919 0.065 -6.099 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -5.977 -1.396 -4.069 1.00 0.00 C ATOM 0 H LEU A 104 -7.517 -4.132 -7.799 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.079 -1.656 -8.313 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.531 -2.052 -6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.431 -3.315 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.606 -1.566 -5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.323 0.787 -5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.642 0.103 -7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.976 0.308 -5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.380 -0.654 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.036 -1.190 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.741 -2.390 -3.689 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.804 -2.557 -8.619 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.425 -3.011 -8.758 1.00 0.00 C ATOM 1620 C CYS A 105 -1.500 -2.236 -7.825 1.00 0.00 C ATOM 1621 O CYS A 105 -1.028 -1.151 -8.164 1.00 0.00 O ATOM 1622 CB CYS A 105 -1.957 -2.853 -10.205 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.309 -3.523 -10.526 1.00 0.00 S ATOM 0 H CYS A 105 -4.033 -1.730 -9.170 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.387 -4.065 -8.484 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.672 -3.347 -10.863 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.964 -1.794 -10.464 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.004 -3.343 -11.777 1.00 0.00 H new ATOM 1629 N MET A 106 -1.249 -2.799 -6.647 1.00 0.00 N ATOM 1630 CA MET A 106 -0.381 -2.160 -5.665 1.00 0.00 C ATOM 1631 C MET A 106 1.087 -2.421 -5.985 1.00 0.00 C ATOM 1632 O MET A 106 1.482 -3.557 -6.246 1.00 0.00 O ATOM 1633 CB MET A 106 -0.707 -2.667 -4.259 1.00 0.00 C ATOM 1634 CG MET A 106 -0.059 -1.850 -3.153 1.00 0.00 C ATOM 1635 SD MET A 106 1.736 -2.025 -3.121 1.00 0.00 S ATOM 1636 CE MET A 106 1.995 -2.542 -1.426 1.00 0.00 C ATOM 0 H MET A 106 -1.634 -3.696 -6.350 1.00 0.00 H new ATOM 0 HA MET A 106 -0.557 -1.085 -5.706 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.788 -2.658 -4.120 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.383 -3.704 -4.171 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.315 -0.799 -3.285 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.468 -2.159 -2.191 1.00 0.00 H new ATOM 0 HE1 MET A 106 3.048 -2.777 -1.274 1.00 0.00 H new ATOM 0 HE2 MET A 106 1.702 -1.738 -0.751 1.00 0.00 H new ATOM 0 HE3 MET A 106 1.393 -3.427 -1.219 1.00 0.00 H new ATOM 1646 N GLU A 107 1.891 -1.363 -5.961 1.00 0.00 N ATOM 1647 CA GLU A 107 3.316 -1.480 -6.250 1.00 0.00 C ATOM 1648 C GLU A 107 4.143 -0.695 -5.236 1.00 0.00 C ATOM 1649 O GLU A 107 4.302 0.519 -5.354 1.00 0.00 O ATOM 1650 CB GLU A 107 3.615 -0.979 -7.665 1.00 0.00 C ATOM 1651 CG GLU A 107 4.962 -1.434 -8.199 1.00 0.00 C ATOM 1652 CD GLU A 107 5.459 -0.568 -9.341 1.00 0.00 C ATOM 1653 OE1 GLU A 107 4.753 -0.477 -10.367 1.00 0.00 O ATOM 1654 OE2 GLU A 107 6.554 0.017 -9.209 1.00 0.00 O ATOM 0 H GLU A 107 1.581 -0.416 -5.745 1.00 0.00 H new ATOM 0 HA GLU A 107 3.590 -2.533 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.831 -1.326 -8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.580 0.110 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.693 -1.418 -7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.884 -2.467 -8.538 1.00 0.00 H new ATOM 1661 N GLY A 108 4.666 -1.400 -4.237 1.00 0.00 N ATOM 1662 CA GLY A 108 5.470 -0.754 -3.215 1.00 0.00 C ATOM 1663 C GLY A 108 6.935 -1.129 -3.306 1.00 0.00 C ATOM 1664 O GLY A 108 7.272 -2.292 -3.531 1.00 0.00 O ATOM 0 H GLY A 108 4.548 -2.406 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.369 0.327 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.089 -1.027 -2.231 1.00 0.00 H new ATOM 1668 N ARG A 109 7.809 -0.143 -3.134 1.00 0.00 N ATOM 1669 CA ARG A 109 9.247 -0.376 -3.201 1.00 0.00 C ATOM 1670 C ARG A 109 9.974 0.394 -2.102 1.00 0.00 C ATOM 1671 O ARG A 109 9.957 1.624 -2.077 1.00 0.00 O ATOM 1672 CB ARG A 109 9.788 0.035 -4.571 1.00 0.00 C ATOM 1673 CG ARG A 109 9.490 1.481 -4.935 1.00 0.00 C ATOM 1674 CD ARG A 109 9.345 1.658 -6.438 1.00 0.00 C ATOM 1675 NE ARG A 109 9.712 3.005 -6.868 1.00 0.00 N ATOM 1676 CZ ARG A 109 9.288 3.557 -7.999 1.00 0.00 C ATOM 1677 NH1 ARG A 109 8.485 2.881 -8.810 1.00 0.00 N ATOM 1678 NH2 ARG A 109 9.665 4.787 -8.322 1.00 0.00 N ATOM 0 H ARG A 109 7.547 0.825 -2.947 1.00 0.00 H new ATOM 0 HA ARG A 109 9.425 -1.441 -3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.867 -0.120 -4.588 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.360 -0.618 -5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.573 1.801 -4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.291 2.122 -4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.973 0.930 -6.951 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.315 1.452 -6.730 1.00 0.00 H new ATOM 0 HE ARG A 109 10.328 3.552 -6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.192 1.935 -8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 109 8.161 3.307 -9.678 1.00 0.00 H new ATOM 0 HH21 ARG A 109 10.282 5.311 -7.701 1.00 0.00 H new ATOM 0 HH22 ARG A 109 9.338 5.209 -9.191 1.00 0.00 H new ATOM 1692 N GLY A 110 10.613 -0.340 -1.195 1.00 0.00 N ATOM 1693 CA GLY A 110 11.336 0.291 -0.107 1.00 0.00 C ATOM 1694 C GLY A 110 10.923 -0.243 1.250 1.00 0.00 C ATOM 1695 O GLY A 110 11.267 0.334 2.282 1.00 0.00 O ATOM 0 H GLY A 110 10.642 -1.360 -1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.406 0.133 -0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.166 1.367 -0.138 1.00 0.00 H new ATOM 1699 N ILE A 111 10.182 -1.346 1.250 1.00 0.00 N ATOM 1700 CA ILE A 111 9.721 -1.956 2.490 1.00 0.00 C ATOM 1701 C ILE A 111 10.860 -2.675 3.205 1.00 0.00 C ATOM 1702 O ILE A 111 11.472 -3.602 2.675 1.00 0.00 O ATOM 1703 CB ILE A 111 8.578 -2.956 2.235 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.264 -2.211 1.990 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.439 -3.913 3.409 1.00 0.00 C ATOM 1706 CD1 ILE A 111 7.067 -1.790 0.551 1.00 0.00 C ATOM 0 H ILE A 111 9.888 -1.835 0.405 1.00 0.00 H new ATOM 0 HA ILE A 111 9.351 -1.148 3.121 1.00 0.00 H new ATOM 0 HB ILE A 111 8.816 -3.537 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.433 -2.849 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.233 -1.326 2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.627 -4.613 3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.370 -4.464 3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.220 -3.348 4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.115 -1.268 0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.878 -1.126 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 111 7.065 -2.672 -0.089 1.00 0.00 H new ATOM 1718 N PRO A 112 11.151 -2.241 4.441 1.00 0.00 N ATOM 1719 CA PRO A 112 12.216 -2.830 5.257 1.00 0.00 C ATOM 1720 C PRO A 112 12.148 -4.354 5.286 1.00 0.00 C ATOM 1721 O PRO A 112 11.144 -4.932 5.699 1.00 0.00 O ATOM 1722 CB PRO A 112 11.953 -2.257 6.652 1.00 0.00 C ATOM 1723 CG PRO A 112 11.239 -0.973 6.405 1.00 0.00 C ATOM 1724 CD PRO A 112 10.462 -1.140 5.136 1.00 0.00 C ATOM 0 HA PRO A 112 13.206 -2.596 4.865 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.348 -2.937 7.252 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.884 -2.094 7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.574 -0.736 7.236 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.947 -0.149 6.318 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.419 -1.384 5.336 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.467 -0.227 4.541 1.00 0.00 H new ATOM 1732 N ALA A 113 13.224 -4.997 4.845 1.00 0.00 N ATOM 1733 CA ALA A 113 13.288 -6.453 4.822 1.00 0.00 C ATOM 1734 C ALA A 113 12.822 -7.043 6.149 1.00 0.00 C ATOM 1735 O ALA A 113 12.018 -7.975 6.194 1.00 0.00 O ATOM 1736 CB ALA A 113 14.702 -6.915 4.504 1.00 0.00 C ATOM 0 H ALA A 113 14.063 -4.532 4.499 1.00 0.00 H new ATOM 0 HA ALA A 113 12.618 -6.809 4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.734 -8.004 4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 113 15.000 -6.531 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.387 -6.541 5.265 1.00 0.00 H new ATOM 1742 N PRO A 114 13.338 -6.491 7.257 1.00 0.00 N ATOM 1743 CA PRO A 114 12.989 -6.947 8.606 1.00 0.00 C ATOM 1744 C PRO A 114 11.484 -6.928 8.853 1.00 0.00 C ATOM 1745 O PRO A 114 10.952 -7.782 9.561 1.00 0.00 O ATOM 1746 CB PRO A 114 13.693 -5.937 9.515 1.00 0.00 C ATOM 1747 CG PRO A 114 14.824 -5.415 8.698 1.00 0.00 C ATOM 1748 CD PRO A 114 14.301 -5.377 7.278 1.00 0.00 C ATOM 0 HA PRO A 114 13.292 -7.980 8.778 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.018 -5.135 9.814 1.00 0.00 H new ATOM 0 HB3 PRO A 114 14.051 -6.410 10.430 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.127 -4.423 9.033 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.699 -6.060 8.779 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.823 -4.425 7.048 1.00 0.00 H new ATOM 0 HD3 PRO A 114 15.099 -5.518 6.549 1.00 0.00 H new ATOM 1756 N GLU A 115 10.805 -5.949 8.264 1.00 0.00 N ATOM 1757 CA GLU A 115 9.361 -5.820 8.422 1.00 0.00 C ATOM 1758 C GLU A 115 8.638 -6.176 7.126 1.00 0.00 C ATOM 1759 O GLU A 115 7.474 -5.826 6.938 1.00 0.00 O ATOM 1760 CB GLU A 115 8.997 -4.396 8.847 1.00 0.00 C ATOM 1761 CG GLU A 115 9.670 -3.955 10.137 1.00 0.00 C ATOM 1762 CD GLU A 115 8.855 -4.304 11.368 1.00 0.00 C ATOM 1763 OE1 GLU A 115 8.969 -5.450 11.850 1.00 0.00 O ATOM 1764 OE2 GLU A 115 8.105 -3.429 11.849 1.00 0.00 O ATOM 0 H GLU A 115 11.231 -5.234 7.674 1.00 0.00 H new ATOM 0 HA GLU A 115 9.043 -6.516 9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.272 -3.706 8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.916 -4.327 8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.651 -4.425 10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.834 -2.878 10.107 1.00 0.00 H new ATOM 1771 N GLU A 116 9.339 -6.872 6.237 1.00 0.00 N ATOM 1772 CA GLU A 116 8.764 -7.274 4.958 1.00 0.00 C ATOM 1773 C GLU A 116 7.415 -7.959 5.159 1.00 0.00 C ATOM 1774 O GLU A 116 6.377 -7.439 4.752 1.00 0.00 O ATOM 1775 CB GLU A 116 9.719 -8.211 4.216 1.00 0.00 C ATOM 1776 CG GLU A 116 9.092 -8.889 3.009 1.00 0.00 C ATOM 1777 CD GLU A 116 10.102 -9.661 2.184 1.00 0.00 C ATOM 1778 OE1 GLU A 116 10.823 -10.502 2.761 1.00 0.00 O ATOM 1779 OE2 GLU A 116 10.172 -9.425 0.959 1.00 0.00 O ATOM 0 H GLU A 116 10.305 -7.169 6.378 1.00 0.00 H new ATOM 0 HA GLU A 116 8.610 -6.376 4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.591 -7.644 3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.075 -8.975 4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.308 -9.568 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.615 -8.136 2.381 1.00 0.00 H new ATOM 1786 N GLU A 117 7.441 -9.130 5.789 1.00 0.00 N ATOM 1787 CA GLU A 117 6.220 -9.887 6.042 1.00 0.00 C ATOM 1788 C GLU A 117 5.240 -9.073 6.882 1.00 0.00 C ATOM 1789 O GLU A 117 4.114 -8.811 6.460 1.00 0.00 O ATOM 1790 CB GLU A 117 6.548 -11.202 6.752 1.00 0.00 C ATOM 1791 CG GLU A 117 5.342 -12.105 6.946 1.00 0.00 C ATOM 1792 CD GLU A 117 5.536 -13.104 8.071 1.00 0.00 C ATOM 1793 OE1 GLU A 117 6.084 -14.194 7.809 1.00 0.00 O ATOM 1794 OE2 GLU A 117 5.139 -12.793 9.214 1.00 0.00 O ATOM 0 H GLU A 117 8.292 -9.574 6.133 1.00 0.00 H new ATOM 0 HA GLU A 117 5.753 -10.107 5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.304 -11.737 6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 117 6.986 -10.980 7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 117 4.465 -11.493 7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.142 -12.642 6.019 1.00 0.00 H new ATOM 1801 N ARG A 118 5.677 -8.677 8.073 1.00 0.00 N ATOM 1802 CA ARG A 118 4.838 -7.895 8.973 1.00 0.00 C ATOM 1803 C ARG A 118 3.962 -6.920 8.191 1.00 0.00 C ATOM 1804 O ARG A 118 2.772 -6.775 8.472 1.00 0.00 O ATOM 1805 CB ARG A 118 5.704 -7.129 9.975 1.00 0.00 C ATOM 1806 CG ARG A 118 4.914 -6.181 10.863 1.00 0.00 C ATOM 1807 CD ARG A 118 5.759 -4.996 11.302 1.00 0.00 C ATOM 1808 NE ARG A 118 4.994 -4.048 12.108 1.00 0.00 N ATOM 1809 CZ ARG A 118 4.649 -4.269 13.372 1.00 0.00 C ATOM 1810 NH1 ARG A 118 4.998 -5.400 13.970 1.00 0.00 N ATOM 1811 NH2 ARG A 118 3.952 -3.358 14.040 1.00 0.00 N ATOM 0 H ARG A 118 6.607 -8.885 8.437 1.00 0.00 H new ATOM 0 HA ARG A 118 4.190 -8.584 9.515 1.00 0.00 H new ATOM 0 HB2 ARG A 118 6.236 -7.843 10.603 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.458 -6.560 9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 118 4.036 -5.824 10.325 1.00 0.00 H new ATOM 0 HG3 ARG A 118 4.554 -6.718 11.741 1.00 0.00 H new ATOM 0 HD2 ARG A 118 6.614 -5.353 11.876 1.00 0.00 H new ATOM 0 HD3 ARG A 118 6.155 -4.488 10.423 1.00 0.00 H new ATOM 0 HE ARG A 118 4.709 -3.168 11.677 1.00 0.00 H new ATOM 0 HH11 ARG A 118 5.533 -6.103 13.460 1.00 0.00 H new ATOM 0 HH12 ARG A 118 4.732 -5.567 14.940 1.00 0.00 H new ATOM 0 HH21 ARG A 118 3.681 -2.487 13.583 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.688 -3.529 15.010 1.00 0.00 H new ATOM 1825 N THR A 119 4.560 -6.254 7.208 1.00 0.00 N ATOM 1826 CA THR A 119 3.836 -5.292 6.387 1.00 0.00 C ATOM 1827 C THR A 119 2.730 -5.972 5.590 1.00 0.00 C ATOM 1828 O THR A 119 1.545 -5.779 5.864 1.00 0.00 O ATOM 1829 CB THR A 119 4.780 -4.562 5.413 1.00 0.00 C ATOM 1830 OG1 THR A 119 5.897 -4.019 6.128 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.048 -3.446 4.683 1.00 0.00 C ATOM 0 H THR A 119 5.544 -6.363 6.961 1.00 0.00 H new ATOM 0 HA THR A 119 3.395 -4.564 7.068 1.00 0.00 H new ATOM 0 HB THR A 119 5.135 -5.283 4.677 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.599 -4.698 6.202 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.735 -2.945 4.001 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.217 -3.866 4.117 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.667 -2.726 5.407 1.00 0.00 H new ATOM 1839 N ARG A 120 3.123 -6.770 4.602 1.00 0.00 N ATOM 1840 CA ARG A 120 2.163 -7.479 3.764 1.00 0.00 C ATOM 1841 C ARG A 120 1.136 -8.215 4.619 1.00 0.00 C ATOM 1842 O ARG A 120 0.051 -8.554 4.146 1.00 0.00 O ATOM 1843 CB ARG A 120 2.886 -8.469 2.850 1.00 0.00 C ATOM 1844 CG ARG A 120 2.157 -8.737 1.544 1.00 0.00 C ATOM 1845 CD ARG A 120 3.049 -9.457 0.544 1.00 0.00 C ATOM 1846 NE ARG A 120 2.280 -10.299 -0.368 1.00 0.00 N ATOM 1847 CZ ARG A 120 1.549 -11.335 0.028 1.00 0.00 C ATOM 1848 NH1 ARG A 120 1.488 -11.654 1.314 1.00 0.00 N ATOM 1849 NH2 ARG A 120 0.878 -12.054 -0.862 1.00 0.00 N ATOM 0 H ARG A 120 4.099 -6.942 4.362 1.00 0.00 H new ATOM 0 HA ARG A 120 1.641 -6.745 3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.882 -8.085 2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 120 3.019 -9.411 3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.269 -9.338 1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 120 1.817 -7.794 1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.615 -8.724 -0.030 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.773 -10.070 1.080 1.00 0.00 H new ATOM 0 HE ARG A 120 2.306 -10.080 -1.364 1.00 0.00 H new ATOM 0 HH11 ARG A 120 2.003 -11.103 2.001 1.00 0.00 H new ATOM 0 HH12 ARG A 120 0.926 -12.450 1.616 1.00 0.00 H new ATOM 0 HH21 ARG A 120 0.923 -11.812 -1.852 1.00 0.00 H new ATOM 0 HH22 ARG A 120 0.317 -12.849 -0.557 1.00 0.00 H new ATOM 1863 N GLN A 121 1.486 -8.460 5.877 1.00 0.00 N ATOM 1864 CA GLN A 121 0.595 -9.158 6.796 1.00 0.00 C ATOM 1865 C GLN A 121 -0.527 -8.239 7.268 1.00 0.00 C ATOM 1866 O GLN A 121 -1.692 -8.634 7.308 1.00 0.00 O ATOM 1867 CB GLN A 121 1.379 -9.684 7.999 1.00 0.00 C ATOM 1868 CG GLN A 121 2.116 -10.985 7.723 1.00 0.00 C ATOM 1869 CD GLN A 121 1.239 -12.206 7.919 1.00 0.00 C ATOM 1870 OE1 GLN A 121 0.179 -12.130 8.539 1.00 0.00 O ATOM 1871 NE2 GLN A 121 1.679 -13.342 7.389 1.00 0.00 N ATOM 0 H GLN A 121 2.380 -8.186 6.283 1.00 0.00 H new ATOM 0 HA GLN A 121 0.152 -10.000 6.264 1.00 0.00 H new ATOM 0 HB2 GLN A 121 2.099 -8.928 8.312 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.692 -9.835 8.832 1.00 0.00 H new ATOM 0 HG2 GLN A 121 2.494 -10.974 6.701 1.00 0.00 H new ATOM 0 HG3 GLN A 121 2.982 -11.055 8.382 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.564 -13.359 6.883 1.00 0.00 H new ATOM 0 HE22 GLN A 121 1.132 -14.197 7.488 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.168 -7.010 7.626 1.00 0.00 N ATOM 1881 CA GLY A 122 -1.157 -6.054 8.092 1.00 0.00 C ATOM 1882 C GLY A 122 -1.428 -4.960 7.078 1.00 0.00 C ATOM 1883 O GLY A 122 -1.882 -3.874 7.435 1.00 0.00 O ATOM 0 H GLY A 122 0.789 -6.659 7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.087 -6.577 8.315 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.813 -5.605 9.024 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.146 -5.246 5.812 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.361 -4.277 4.744 1.00 0.00 C ATOM 1889 C TRP A 123 -2.744 -4.446 4.125 1.00 0.00 C ATOM 1890 O TRP A 123 -3.605 -3.577 4.262 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.285 -4.427 3.667 1.00 0.00 C ATOM 1892 CG TRP A 123 0.072 -3.133 3.000 1.00 0.00 C ATOM 1893 CD1 TRP A 123 1.037 -2.249 3.390 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.532 -2.578 1.827 1.00 0.00 C ATOM 1895 NE1 TRP A 123 1.069 -1.178 2.531 1.00 0.00 N ATOM 1896 CE2 TRP A 123 0.116 -1.356 1.562 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.557 -2.995 0.973 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.229 -0.549 0.481 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -1.898 -2.193 -0.099 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.236 -0.982 -0.338 1.00 0.00 C ATOM 0 H TRP A 123 -0.768 -6.141 5.500 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.297 -3.278 5.176 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.611 -4.855 4.116 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.632 -5.133 2.912 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.681 -2.374 4.248 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.700 -0.380 2.602 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.073 -3.927 1.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.280 0.385 0.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.689 -2.505 -0.765 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.526 -0.378 -1.185 1.00 0.00 H new ATOM 1911 N GLN A 124 -2.950 -5.569 3.444 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.230 -5.850 2.804 1.00 0.00 C ATOM 1913 C GLN A 124 -5.317 -6.092 3.846 1.00 0.00 C ATOM 1914 O GLN A 124 -6.480 -5.747 3.634 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.108 -7.067 1.885 1.00 0.00 C ATOM 1916 CG GLN A 124 -3.186 -6.842 0.697 1.00 0.00 C ATOM 1917 CD GLN A 124 -2.399 -8.083 0.326 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -2.329 -8.461 -0.844 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.801 -8.726 1.322 1.00 0.00 N ATOM 0 H GLN A 124 -2.248 -6.298 3.321 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.509 -4.981 2.209 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.740 -7.914 2.464 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.099 -7.337 1.519 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.777 -6.521 -0.161 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.493 -6.033 0.928 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -1.885 -8.378 2.277 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -1.258 -9.568 1.132 1.00 0.00 H new ATOM 1928 N ARG A 125 -4.932 -6.687 4.970 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.875 -6.977 6.043 1.00 0.00 C ATOM 1930 C ARG A 125 -6.762 -5.768 6.329 1.00 0.00 C ATOM 1931 O ARG A 125 -7.892 -5.911 6.796 1.00 0.00 O ATOM 1932 CB ARG A 125 -5.126 -7.384 7.313 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.885 -8.881 7.425 1.00 0.00 C ATOM 1934 CD ARG A 125 -4.849 -9.332 8.876 1.00 0.00 C ATOM 1935 NE ARG A 125 -6.170 -9.722 9.362 1.00 0.00 N ATOM 1936 CZ ARG A 125 -6.516 -9.708 10.644 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -5.642 -9.326 11.565 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -7.738 -10.076 11.008 1.00 0.00 N ATOM 0 H ARG A 125 -3.973 -6.978 5.161 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.509 -7.804 5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.167 -6.867 7.340 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.693 -7.050 8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.672 -9.418 6.895 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.943 -9.136 6.940 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -4.163 -10.173 8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -4.458 -8.526 9.496 1.00 0.00 H new ATOM 0 HE ARG A 125 -6.865 -10.022 8.679 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.702 -9.042 11.289 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -5.910 -9.316 12.549 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -8.413 -10.370 10.303 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -8.002 -10.065 11.993 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.241 -4.579 6.045 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.984 -3.345 6.274 1.00 0.00 C ATOM 1954 C TYR A 126 -7.240 -2.612 4.961 1.00 0.00 C ATOM 1955 O TYR A 126 -8.286 -1.988 4.779 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.219 -2.436 7.237 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.416 -3.190 8.273 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.912 -4.350 8.856 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -4.161 -2.744 8.668 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -5.183 -5.041 9.804 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.424 -3.430 9.614 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.939 -4.578 10.179 1.00 0.00 C ATOM 1963 OH TYR A 126 -3.209 -5.264 11.122 1.00 0.00 O ATOM 0 H TYR A 126 -5.308 -4.444 5.656 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.945 -3.606 6.717 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.548 -1.797 6.664 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.927 -1.781 7.745 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.884 -4.717 8.563 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.754 -1.845 8.228 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.585 -5.939 10.249 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.450 -3.069 9.910 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.356 -4.806 11.272 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.279 -2.694 4.048 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.398 -2.038 2.751 1.00 0.00 C ATOM 1975 C TYR A 127 -7.551 -2.629 1.946 1.00 0.00 C ATOM 1976 O TYR A 127 -8.552 -1.958 1.688 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.092 -2.171 1.966 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.219 -0.939 2.030 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -3.937 -0.324 3.244 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.675 -0.389 0.876 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.140 0.802 3.306 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -2.875 0.737 0.929 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.612 1.329 2.146 1.00 0.00 C ATOM 1984 OH TYR A 127 -1.816 2.450 2.204 1.00 0.00 O ATOM 0 H TYR A 127 -5.408 -3.208 4.182 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.603 -0.982 2.924 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.532 -3.023 2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.325 -2.387 0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.348 -0.734 4.155 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -3.881 -0.849 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.931 1.268 4.258 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.458 1.151 0.022 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.083 2.298 2.836 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.404 -3.889 1.552 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.432 -4.572 0.775 1.00 0.00 C ATOM 1996 C PHE A 128 -9.378 -5.348 1.687 1.00 0.00 C ATOM 1997 O PHE A 128 -10.538 -4.976 1.857 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.790 -5.521 -0.238 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.551 -4.964 -0.880 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.335 -3.597 -0.928 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.603 -5.808 -1.435 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.196 -3.080 -1.517 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.462 -5.298 -2.025 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.259 -3.933 -2.067 1.00 0.00 C ATOM 0 H PHE A 128 -6.583 -4.458 1.758 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.009 -3.817 0.240 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.541 -6.458 0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.517 -5.757 -1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.065 -2.926 -0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -5.757 -6.877 -1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.039 -2.012 -1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -3.730 -5.967 -2.453 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.369 -3.533 -2.529 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.871 -6.430 2.272 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.670 -7.260 3.165 1.00 0.00 C ATOM 2016 C GLU A 129 -10.678 -6.413 3.938 1.00 0.00 C ATOM 2017 O GLU A 129 -11.829 -6.809 4.119 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.766 -8.014 4.142 1.00 0.00 C ATOM 2019 CG GLU A 129 -8.043 -9.194 3.515 1.00 0.00 C ATOM 2020 CD GLU A 129 -8.888 -10.453 3.498 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -10.022 -10.399 2.979 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -8.415 -11.492 4.004 1.00 0.00 O ATOM 0 H GLU A 129 -7.911 -6.751 2.143 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.217 -7.981 2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.029 -7.322 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.367 -8.370 4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -7.756 -8.939 2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -7.122 -9.386 4.066 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.235 -5.244 4.392 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.109 -4.360 5.140 1.00 0.00 C ATOM 2031 C GLY A 130 -12.232 -3.799 4.290 1.00 0.00 C ATOM 2032 O GLY A 130 -13.403 -4.111 4.512 1.00 0.00 O ATOM 0 H GLY A 130 -9.287 -4.894 4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.533 -4.903 5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.523 -3.538 5.551 1.00 0.00 H new ATOM 2036 N ILE A 131 -11.877 -2.969 3.316 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.864 -2.363 2.431 1.00 0.00 C ATOM 2038 C ILE A 131 -13.792 -3.418 1.839 1.00 0.00 C ATOM 2039 O ILE A 131 -15.010 -3.243 1.808 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.190 -1.587 1.284 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.238 -0.529 1.845 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.241 -0.942 0.392 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.200 -0.061 0.850 1.00 0.00 C ATOM 0 H ILE A 131 -10.913 -2.700 3.119 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.446 -1.668 3.036 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.611 -2.287 0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -11.820 0.329 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.732 -0.935 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.749 -0.397 -0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.883 -1.715 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -13.844 -0.252 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.560 0.688 1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.593 -0.909 0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -10.697 0.375 -0.016 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.209 -4.516 1.372 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.982 -5.603 0.783 1.00 0.00 C ATOM 2057 C LYS A 132 -15.123 -6.021 1.706 1.00 0.00 C ATOM 2058 O LYS A 132 -16.122 -6.583 1.257 1.00 0.00 O ATOM 2059 CB LYS A 132 -13.078 -6.804 0.497 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.219 -6.637 -0.744 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.467 -7.915 -1.078 1.00 0.00 C ATOM 2062 CE LYS A 132 -11.142 -7.999 -2.562 1.00 0.00 C ATOM 2063 NZ LYS A 132 -10.820 -6.662 -3.135 1.00 0.00 N ATOM 0 H LYS A 132 -12.202 -4.677 1.390 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.408 -5.246 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.430 -6.973 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.696 -7.695 0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.848 -6.353 -1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.508 -5.825 -0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.544 -7.957 -0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -12.066 -8.778 -0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -10.297 -8.671 -2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -11.990 -8.429 -3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -10.539 -6.770 -4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -11.658 -6.048 -3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -10.039 -6.233 -2.599 1.00 0.00 H new ATOM 2077 N GLN A 133 -14.968 -5.741 2.996 1.00 0.00 N ATOM 2078 CA GLN A 133 -15.986 -6.087 3.980 1.00 0.00 C ATOM 2079 C GLN A 133 -16.841 -4.873 4.328 1.00 0.00 C ATOM 2080 O GLN A 133 -18.070 -4.924 4.256 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.333 -6.646 5.245 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.383 -7.802 4.980 1.00 0.00 C ATOM 2083 CD GLN A 133 -15.072 -9.151 5.048 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -16.034 -9.332 5.795 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -14.582 -10.106 4.267 1.00 0.00 N ATOM 0 H GLN A 133 -14.147 -5.276 3.384 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.631 -6.850 3.546 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.788 -5.846 5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.113 -6.978 5.930 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -13.932 -7.678 3.996 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.572 -7.775 5.708 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -13.783 -9.911 3.664 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.004 -11.034 4.270 1.00 0.00 H new ATOM 2094 N THR A 134 -16.184 -3.781 4.707 1.00 0.00 N ATOM 2095 CA THR A 134 -16.884 -2.555 5.069 1.00 0.00 C ATOM 2096 C THR A 134 -17.774 -2.074 3.929 1.00 0.00 C ATOM 2097 O THR A 134 -18.985 -1.920 4.095 1.00 0.00 O ATOM 2098 CB THR A 134 -15.896 -1.434 5.442 1.00 0.00 C ATOM 2099 OG1 THR A 134 -15.096 -1.838 6.558 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.638 -0.150 5.782 1.00 0.00 C ATOM 0 H THR A 134 -15.168 -3.721 4.771 1.00 0.00 H new ATOM 0 HA THR A 134 -17.502 -2.788 5.936 1.00 0.00 H new ATOM 0 HB THR A 134 -15.252 -1.246 4.583 1.00 0.00 H new ATOM 0 HG1 THR A 134 -15.451 -1.435 7.378 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.920 0.627 6.042 1.00 0.00 H new ATOM 0 HG22 THR A 134 -17.224 0.171 4.921 1.00 0.00 H new ATOM 0 HG23 THR A 134 -17.303 -0.327 6.627 1.00 0.00 H new ATOM 2108 N PHE A 135 -17.168 -1.838 2.770 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.907 -1.374 1.601 1.00 0.00 C ATOM 2110 C PHE A 135 -18.515 -2.549 0.840 1.00 0.00 C ATOM 2111 O PHE A 135 -19.489 -2.389 0.106 1.00 0.00 O ATOM 2112 CB PHE A 135 -16.988 -0.574 0.676 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.490 0.706 1.285 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.654 0.683 2.390 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.857 1.931 0.753 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.196 1.859 2.953 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.401 3.110 1.312 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.568 3.074 2.413 1.00 0.00 C ATOM 0 H PHE A 135 -16.167 -1.960 2.615 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.716 -0.729 1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -16.134 -1.193 0.402 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.524 -0.344 -0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.357 -0.264 2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.507 1.965 -0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.547 1.828 3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.696 4.059 0.888 1.00 0.00 H new ATOM 0 HZ PHE A 135 -15.209 3.994 2.850 1.00 0.00 H new ATOM 2128 N GLY A 136 -17.932 -3.730 1.022 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.429 -4.914 0.346 1.00 0.00 C ATOM 2130 C GLY A 136 -17.881 -5.052 -1.060 1.00 0.00 C ATOM 2131 O GLY A 136 -18.585 -5.497 -1.967 1.00 0.00 O ATOM 0 H GLY A 136 -17.125 -3.888 1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.162 -5.798 0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.518 -4.876 0.306 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.623 -4.669 -1.243 1.00 0.00 N ATOM 2136 CA TYR A 137 -15.982 -4.749 -2.550 1.00 0.00 C ATOM 2137 C TYR A 137 -15.185 -6.042 -2.688 1.00 0.00 C ATOM 2138 O TYR A 137 -14.204 -6.105 -3.429 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.062 -3.545 -2.765 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.778 -2.216 -2.689 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.165 -2.148 -2.730 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.067 -1.027 -2.577 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -17.824 -0.935 -2.662 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.717 0.190 -2.506 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.095 0.231 -2.550 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.746 1.441 -2.481 1.00 0.00 O ATOM 0 H TYR A 137 -16.026 -4.300 -0.503 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.763 -4.742 -3.310 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.270 -3.565 -2.016 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.582 -3.634 -3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.738 -3.059 -2.817 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -13.988 -1.055 -2.545 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -18.903 -0.900 -2.696 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.149 1.104 -2.417 1.00 0.00 H new ATOM 0 HH TYR A 137 -17.088 2.163 -2.404 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.615 -7.075 -1.969 1.00 0.00 N ATOM 2157 CA GLY A 138 -14.932 -8.354 -2.025 1.00 0.00 C ATOM 2158 C GLY A 138 -15.740 -9.411 -2.751 1.00 0.00 C ATOM 2159 O GLY A 138 -16.939 -9.244 -2.969 1.00 0.00 O ATOM 0 H GLY A 138 -16.424 -7.048 -1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -13.972 -8.228 -2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.721 -8.695 -1.011 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.081 -10.502 -3.128 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.745 -11.591 -3.833 1.00 0.00 C ATOM 2165 C ALA A 139 -15.630 -12.898 -3.058 1.00 0.00 C ATOM 2166 O ALA A 139 -14.585 -13.199 -2.480 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.161 -11.749 -5.229 1.00 0.00 C ATOM 0 H ALA A 139 -14.087 -10.655 -2.957 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.803 -11.343 -3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.666 -12.566 -5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.302 -10.825 -5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.096 -11.970 -5.155 1.00 0.00 H new