USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 731 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 55 TYR OH : rot 61:sc= 1.26 USER MOD Set 1.2: A 80 TYR OH : rot -145:sc= 0.165 USER MOD Set 2.1: A 28 THR OG1 : rot 124:sc= 0.539 USER MOD Set 2.2: A 66 SER OG : rot 180:sc= 0.338 USER MOD Single : A 12 MET CE :methyl -179:sc= -0.496 (180deg=-0.497) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.475 K(o=-0.47,f=-3.1!) USER MOD Single : A 17 TYR OH : rot 90:sc=-0.00719 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 163:sc= -0.035 (180deg=-0.353) USER MOD Single : A 26 THR OG1 : rot 28:sc= 0.137 USER MOD Single : A 29 CYS SG : rot 13:sc= -0.695 USER MOD Single : A 34 ASN : amide:sc= -0.0503 K(o=-0.05,f=-1.7!) USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 0.956 (180deg=0.948) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 1.84 (180deg=1.77) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.411 USER MOD Single : A 54 HIS : no HD1:sc= -0.101 K(o=-0.1,f=-2!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.00443 X(o=-0.0044,f=-0.1) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.319 USER MOD Single : A 65 CYS SG : rot 180:sc= 0.494 USER MOD Single : A 68 HIS : no HD1:sc= -0.012 X(o=-0.012,f=-0.035) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 100:sc= 0 USER MOD Single : A 73 THR OG1 : rot -56:sc= 0.868 USER MOD Single : A 79 ASN : amide:sc= -0.0218 K(o=-0.022,f=-1.7!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 131:sc= -0.0191 (180deg=-0.548) USER MOD Single : A 86 ASN : amide:sc= -0.838! C(o=-0.84!,f=-11!) USER MOD Single : A 88 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.15) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -163:sc= -0.0477 (180deg=-0.408) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -2.006 9.158 3.630 1.00 0.00 N ATOM 67 CA ALA A 7 -3.393 9.511 3.365 1.00 0.00 C ATOM 68 C ALA A 7 -3.827 10.707 4.207 1.00 0.00 C ATOM 69 O ALA A 7 -3.290 10.942 5.289 1.00 0.00 O ATOM 70 CB ALA A 7 -4.306 8.320 3.622 1.00 0.00 C ATOM 0 HA ALA A 7 -3.473 9.791 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.339 8.603 3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.020 7.495 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.213 8.008 4.662 1.00 0.00 H new ATOM 76 N PRO A 8 -4.800 11.457 3.702 1.00 0.00 N ATOM 77 CA PRO A 8 -5.310 12.625 4.412 1.00 0.00 C ATOM 78 C PRO A 8 -5.968 12.228 5.729 1.00 0.00 C ATOM 79 O PRO A 8 -6.566 11.156 5.837 1.00 0.00 O ATOM 80 CB PRO A 8 -6.309 13.249 3.433 1.00 0.00 C ATOM 81 CG PRO A 8 -6.688 12.130 2.524 1.00 0.00 C ATOM 82 CD PRO A 8 -5.447 11.290 2.388 1.00 0.00 C ATOM 0 HA PRO A 8 -4.523 13.325 4.693 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.179 13.649 3.954 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.861 14.075 2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.512 11.549 2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.017 12.505 1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.685 10.246 2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.809 11.637 1.575 1.00 0.00 H new ATOM 90 N PHE A 9 -5.852 13.093 6.729 1.00 0.00 N ATOM 91 CA PHE A 9 -6.376 12.806 8.058 1.00 0.00 C ATOM 92 C PHE A 9 -6.486 14.074 8.892 1.00 0.00 C ATOM 93 O PHE A 9 -5.608 14.936 8.851 1.00 0.00 O ATOM 94 CB PHE A 9 -5.489 11.782 8.770 1.00 0.00 C ATOM 95 CG PHE A 9 -5.903 11.504 10.187 1.00 0.00 C ATOM 96 CD1 PHE A 9 -7.014 10.719 10.458 1.00 0.00 C ATOM 97 CD2 PHE A 9 -5.184 12.027 11.251 1.00 0.00 C ATOM 98 CE1 PHE A 9 -7.396 10.463 11.762 1.00 0.00 C ATOM 99 CE2 PHE A 9 -5.562 11.771 12.554 1.00 0.00 C ATOM 100 CZ PHE A 9 -6.670 10.988 12.810 1.00 0.00 C ATOM 0 H PHE A 9 -5.398 14.002 6.644 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.376 12.389 7.941 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.503 10.849 8.207 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.460 12.141 8.766 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.587 10.303 9.642 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.318 12.642 11.058 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.264 9.851 11.960 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.991 12.183 13.373 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.967 10.787 13.829 1.00 0.00 H new ATOM 110 N PHE A 10 -7.569 14.181 9.655 1.00 0.00 N ATOM 111 CA PHE A 10 -7.756 15.303 10.568 1.00 0.00 C ATOM 112 C PHE A 10 -7.170 14.997 11.942 1.00 0.00 C ATOM 113 O PHE A 10 -7.795 14.318 12.756 1.00 0.00 O ATOM 114 CB PHE A 10 -9.241 15.648 10.693 1.00 0.00 C ATOM 115 CG PHE A 10 -9.847 16.182 9.427 1.00 0.00 C ATOM 116 CD1 PHE A 10 -9.498 17.436 8.947 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.769 15.431 8.711 1.00 0.00 C ATOM 118 CE1 PHE A 10 -10.056 17.929 7.784 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.327 15.922 7.546 1.00 0.00 C ATOM 120 CZ PHE A 10 -10.971 17.170 7.082 1.00 0.00 C ATOM 0 H PHE A 10 -8.331 13.503 9.659 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.227 16.162 10.156 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.787 14.756 10.998 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.368 16.386 11.485 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.781 18.034 9.490 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -11.053 14.452 9.068 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.777 18.908 7.424 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.043 15.327 6.998 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.407 17.553 6.171 1.00 0.00 H new ATOM 130 N GLU A 11 -5.967 15.499 12.192 1.00 0.00 N ATOM 131 CA GLU A 11 -5.331 15.357 13.494 1.00 0.00 C ATOM 132 C GLU A 11 -5.943 16.311 14.512 1.00 0.00 C ATOM 133 O GLU A 11 -5.745 16.162 15.718 1.00 0.00 O ATOM 134 CB GLU A 11 -3.824 15.600 13.384 1.00 0.00 C ATOM 135 CG GLU A 11 -3.443 17.033 13.038 1.00 0.00 C ATOM 136 CD GLU A 11 -1.954 17.233 13.103 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.272 16.336 13.539 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.488 18.234 12.615 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.411 16.010 11.506 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.500 14.337 13.838 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.355 15.330 14.330 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.415 14.934 12.624 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.801 17.275 12.038 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.935 17.719 13.728 1.00 0.00 H new ATOM 145 N MET A 12 -6.685 17.298 14.018 1.00 0.00 N ATOM 146 CA MET A 12 -7.536 18.117 14.873 1.00 0.00 C ATOM 147 C MET A 12 -8.892 18.365 14.224 1.00 0.00 C ATOM 148 O MET A 12 -9.000 19.127 13.262 1.00 0.00 O ATOM 149 CB MET A 12 -6.848 19.445 15.185 1.00 0.00 C ATOM 150 CG MET A 12 -7.633 20.357 16.117 1.00 0.00 C ATOM 151 SD MET A 12 -6.768 21.900 16.472 1.00 0.00 S ATOM 152 CE MET A 12 -7.059 22.807 14.956 1.00 0.00 C ATOM 0 H MET A 12 -6.714 17.549 13.030 1.00 0.00 H new ATOM 0 HA MET A 12 -7.702 17.575 15.804 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.875 19.240 15.632 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.664 19.973 14.250 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.600 20.582 15.668 1.00 0.00 H new ATOM 0 HG3 MET A 12 -7.830 19.832 17.052 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.569 23.779 15.014 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.654 22.246 14.113 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.131 22.948 14.817 1.00 0.00 H new ATOM 162 N LYS A 13 -9.925 17.721 14.760 1.00 0.00 N ATOM 163 CA LYS A 13 -11.227 17.689 14.105 1.00 0.00 C ATOM 164 C LYS A 13 -12.144 18.781 14.647 1.00 0.00 C ATOM 165 O LYS A 13 -11.850 19.398 15.672 1.00 0.00 O ATOM 166 CB LYS A 13 -11.881 16.317 14.282 1.00 0.00 C ATOM 167 CG LYS A 13 -11.135 15.174 13.607 1.00 0.00 C ATOM 168 CD LYS A 13 -11.859 13.850 13.800 1.00 0.00 C ATOM 169 CE LYS A 13 -11.134 12.713 13.094 1.00 0.00 C ATOM 170 NZ LYS A 13 -11.839 11.414 13.263 1.00 0.00 N1+ ATOM 0 H LYS A 13 -9.885 17.215 15.645 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.071 17.872 13.042 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.964 16.102 15.347 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.895 16.357 13.885 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.032 15.383 12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.127 15.103 14.016 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.938 13.628 14.864 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.876 13.930 13.415 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.046 12.943 12.032 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.121 12.630 13.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.313 10.666 12.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.901 11.181 14.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.797 11.485 12.865 1.00 0.00 H new ATOM 184 N LEU A 14 -13.252 19.016 13.953 1.00 0.00 N ATOM 185 CA LEU A 14 -14.244 19.980 14.400 1.00 0.00 C ATOM 186 C LEU A 14 -15.189 19.366 15.424 1.00 0.00 C ATOM 187 O LEU A 14 -15.154 18.162 15.673 1.00 0.00 O ATOM 188 CB LEU A 14 -15.035 20.520 13.202 1.00 0.00 C ATOM 189 CG LEU A 14 -14.200 21.269 12.154 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.071 21.638 10.960 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.592 22.513 12.783 1.00 0.00 C ATOM 0 H LEU A 14 -13.484 18.549 13.076 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.719 20.806 14.881 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.539 19.686 12.714 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.812 21.190 13.571 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.394 20.625 11.802 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.470 22.169 10.222 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.478 20.731 10.512 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.889 22.278 11.290 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.999 23.044 12.039 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.388 23.164 13.145 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.952 22.224 13.617 1.00 0.00 H new ATOM 203 N LYS A 15 -16.036 20.201 16.018 1.00 0.00 N ATOM 204 CA LYS A 15 -17.061 19.726 16.939 1.00 0.00 C ATOM 205 C LYS A 15 -18.404 20.387 16.656 1.00 0.00 C ATOM 206 O LYS A 15 -18.518 21.222 15.762 1.00 0.00 O ATOM 207 CB LYS A 15 -16.642 19.985 18.387 1.00 0.00 C ATOM 208 CG LYS A 15 -16.476 21.457 18.740 1.00 0.00 C ATOM 209 CD LYS A 15 -16.009 21.632 20.178 1.00 0.00 C ATOM 210 CE LYS A 15 -15.893 23.103 20.548 1.00 0.00 C ATOM 211 NZ LYS A 15 -15.457 23.290 21.958 1.00 0.00 N1+ ATOM 0 H LYS A 15 -16.032 21.211 15.877 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.171 18.652 16.790 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.386 19.546 19.052 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -15.701 19.470 18.578 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.756 21.916 18.063 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.424 21.976 18.597 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.710 21.140 20.852 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.043 21.145 20.311 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.181 23.590 19.881 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.856 23.592 20.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.391 24.306 22.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.149 22.848 22.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.526 22.846 22.095 1.00 0.00 H new ATOM 225 N HIS A 16 -19.419 20.004 17.427 1.00 0.00 N ATOM 226 CA HIS A 16 -20.736 20.620 17.316 1.00 0.00 C ATOM 227 C HIS A 16 -20.734 22.028 17.897 1.00 0.00 C ATOM 228 O HIS A 16 -20.656 22.208 19.115 1.00 0.00 O ATOM 229 CB HIS A 16 -21.795 19.765 18.018 1.00 0.00 C ATOM 230 CG HIS A 16 -23.193 20.269 17.834 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.285 19.667 18.425 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.679 21.316 17.127 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.381 20.324 18.089 1.00 0.00 C ATOM 234 NE2 HIS A 16 -25.040 21.328 17.302 1.00 0.00 N ATOM 0 H HIS A 16 -19.354 19.271 18.134 1.00 0.00 H new ATOM 0 HA HIS A 16 -20.982 20.685 16.256 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.734 18.744 17.641 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.570 19.725 19.084 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -24.251 18.844 19.027 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -23.103 22.012 16.535 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.385 20.081 18.404 1.00 0.00 H new ATOM 242 N TYR A 17 -20.824 23.027 17.026 1.00 0.00 N ATOM 243 CA TYR A 17 -20.753 24.419 17.442 1.00 0.00 C ATOM 244 C TYR A 17 -22.142 25.018 17.619 1.00 0.00 C ATOM 245 O TYR A 17 -23.071 24.675 16.884 1.00 0.00 O ATOM 246 CB TYR A 17 -19.954 25.239 16.427 1.00 0.00 C ATOM 247 CG TYR A 17 -18.528 24.768 16.245 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.579 24.974 17.234 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.134 24.120 15.083 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.276 24.547 17.075 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.833 23.687 14.911 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.906 23.903 15.911 1.00 0.00 C ATOM 253 OH TYR A 17 -14.609 23.476 15.745 1.00 0.00 O ATOM 0 H TYR A 17 -20.947 22.895 16.022 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.245 24.451 18.406 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.464 25.203 15.464 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.944 26.282 16.744 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.864 25.478 18.146 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.857 23.951 14.299 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.550 24.716 17.857 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.543 23.183 14.001 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.519 22.562 16.087 1.00 0.00 H new ATOM 263 N LYS A 18 -22.278 25.910 18.591 1.00 0.00 N ATOM 264 CA LYS A 18 -23.539 26.603 18.823 1.00 0.00 C ATOM 265 C LYS A 18 -23.315 28.094 19.053 1.00 0.00 C ATOM 266 O LYS A 18 -22.369 28.492 19.730 1.00 0.00 O ATOM 267 CB LYS A 18 -24.276 25.991 20.015 1.00 0.00 C ATOM 268 CG LYS A 18 -24.769 24.569 19.787 1.00 0.00 C ATOM 269 CD LYS A 18 -25.575 24.065 20.975 1.00 0.00 C ATOM 270 CE LYS A 18 -26.044 22.634 20.760 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.827 22.125 21.919 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.529 26.171 19.233 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.153 26.485 17.930 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.612 25.998 20.880 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -25.129 26.623 20.263 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.384 24.535 18.887 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.918 23.910 19.617 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.967 24.119 21.878 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.438 24.713 21.133 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.656 22.584 19.859 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.180 21.990 20.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -27.128 21.147 21.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.236 22.148 22.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.665 22.724 22.061 1.00 0.00 H new ATOM 285 N ILE A 19 -24.197 28.912 18.485 1.00 0.00 N ATOM 286 CA ILE A 19 -24.076 30.360 18.595 1.00 0.00 C ATOM 287 C ILE A 19 -25.442 31.029 18.595 1.00 0.00 C ATOM 288 O ILE A 19 -26.392 30.523 17.996 1.00 0.00 O ATOM 289 CB ILE A 19 -23.228 30.946 17.452 1.00 0.00 C ATOM 290 CG1 ILE A 19 -22.805 32.380 17.781 1.00 0.00 C ATOM 291 CG2 ILE A 19 -24.001 30.903 16.142 1.00 0.00 C ATOM 292 CD1 ILE A 19 -21.800 32.477 18.906 1.00 0.00 C ATOM 0 H ILE A 19 -25.002 28.596 17.945 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.577 30.561 19.543 1.00 0.00 H new ATOM 0 HB ILE A 19 -22.329 30.340 17.341 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -22.381 32.838 16.887 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -23.690 32.958 18.046 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -23.388 31.321 15.344 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -24.254 29.870 15.902 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -24.916 31.487 16.240 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -21.549 33.523 19.081 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -22.227 32.050 19.813 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.898 31.928 18.636 1.00 0.00 H new ATOM 304 N PHE A 20 -25.542 32.169 19.271 1.00 0.00 N ATOM 305 CA PHE A 20 -26.732 33.005 19.196 1.00 0.00 C ATOM 306 C PHE A 20 -26.794 33.759 17.875 1.00 0.00 C ATOM 307 O PHE A 20 -25.767 34.168 17.333 1.00 0.00 O ATOM 308 CB PHE A 20 -26.768 33.991 20.365 1.00 0.00 C ATOM 309 CG PHE A 20 -27.092 33.353 21.686 1.00 0.00 C ATOM 310 CD1 PHE A 20 -27.439 32.012 21.758 1.00 0.00 C ATOM 311 CD2 PHE A 20 -27.050 34.090 22.859 1.00 0.00 C ATOM 312 CE1 PHE A 20 -27.737 31.423 22.972 1.00 0.00 C ATOM 313 CE2 PHE A 20 -27.347 33.506 24.074 1.00 0.00 C ATOM 314 CZ PHE A 20 -27.691 32.169 24.130 1.00 0.00 C ATOM 0 H PHE A 20 -24.809 32.535 19.879 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.602 32.351 19.256 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.801 34.488 20.439 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.507 34.764 20.154 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -27.477 31.421 20.855 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -26.781 35.135 22.822 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -28.006 30.378 23.013 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -27.311 34.093 24.980 1.00 0.00 H new ATOM 0 HZ PHE A 20 -27.923 31.709 25.079 1.00 0.00 H new ATOM 324 N GLU A 21 -28.004 33.945 17.359 1.00 0.00 N ATOM 325 CA GLU A 21 -28.200 34.608 16.076 1.00 0.00 C ATOM 326 C GLU A 21 -27.540 35.982 16.062 1.00 0.00 C ATOM 327 O GLU A 21 -27.808 36.823 16.919 1.00 0.00 O ATOM 328 CB GLU A 21 -29.692 34.738 15.762 1.00 0.00 C ATOM 329 CG GLU A 21 -29.997 35.345 14.400 1.00 0.00 C ATOM 330 CD GLU A 21 -31.478 35.473 14.178 1.00 0.00 C ATOM 331 OE1 GLU A 21 -32.226 35.040 15.022 1.00 0.00 O ATOM 332 OE2 GLU A 21 -31.864 36.102 13.221 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.867 33.644 17.812 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.730 33.995 15.307 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -30.150 33.750 15.817 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -30.161 35.350 16.532 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.530 36.327 14.324 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.562 34.724 13.617 1.00 0.00 H new ATOM 339 N GLY A 22 -26.671 36.204 15.079 1.00 0.00 N ATOM 340 CA GLY A 22 -26.106 37.525 14.840 1.00 0.00 C ATOM 341 C GLY A 22 -24.667 37.604 15.335 1.00 0.00 C ATOM 342 O GLY A 22 -23.923 38.517 14.969 1.00 0.00 O ATOM 0 H GLY A 22 -26.344 35.484 14.435 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -26.140 37.751 13.774 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.710 38.279 15.345 1.00 0.00 H new ATOM 346 N MET A 23 -24.277 36.646 16.169 1.00 0.00 N ATOM 347 CA MET A 23 -22.956 36.651 16.780 1.00 0.00 C ATOM 348 C MET A 23 -21.923 36.009 15.867 1.00 0.00 C ATOM 349 O MET A 23 -22.256 35.186 15.016 1.00 0.00 O ATOM 350 CB MET A 23 -22.995 35.928 18.124 1.00 0.00 C ATOM 351 CG MET A 23 -23.731 36.682 19.224 1.00 0.00 C ATOM 352 SD MET A 23 -23.635 35.849 20.821 1.00 0.00 S ATOM 353 CE MET A 23 -21.913 36.108 21.236 1.00 0.00 C ATOM 0 H MET A 23 -24.861 35.854 16.437 1.00 0.00 H new ATOM 0 HA MET A 23 -22.663 37.688 16.941 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.470 34.956 17.986 1.00 0.00 H new ATOM 0 HB3 MET A 23 -21.972 35.740 18.451 1.00 0.00 H new ATOM 0 HG2 MET A 23 -23.312 37.684 19.315 1.00 0.00 H new ATOM 0 HG3 MET A 23 -24.777 36.799 18.942 1.00 0.00 H new ATOM 0 HE1 MET A 23 -21.764 35.928 22.301 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.293 35.420 20.661 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.632 37.134 20.999 1.00 0.00 H new ATOM 363 N PRO A 24 -20.662 36.394 16.047 1.00 0.00 N ATOM 364 CA PRO A 24 -19.569 35.823 15.270 1.00 0.00 C ATOM 365 C PRO A 24 -19.231 34.412 15.743 1.00 0.00 C ATOM 366 O PRO A 24 -19.466 34.062 16.898 1.00 0.00 O ATOM 367 CB PRO A 24 -18.405 36.795 15.486 1.00 0.00 C ATOM 368 CG PRO A 24 -18.642 37.358 16.845 1.00 0.00 C ATOM 369 CD PRO A 24 -20.138 37.455 16.982 1.00 0.00 C ATOM 0 HA PRO A 24 -19.817 35.714 14.214 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.444 36.284 15.429 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.395 37.578 14.728 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.218 36.715 17.616 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.173 38.336 16.952 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.457 37.275 18.009 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.500 38.445 16.705 1.00 0.00 H new ATOM 377 N VAL A 25 -18.679 33.609 14.839 1.00 0.00 N ATOM 378 CA VAL A 25 -18.274 32.248 15.171 1.00 0.00 C ATOM 379 C VAL A 25 -16.892 31.933 14.614 1.00 0.00 C ATOM 380 O VAL A 25 -16.654 32.055 13.411 1.00 0.00 O ATOM 381 CB VAL A 25 -19.281 31.212 14.636 1.00 0.00 C ATOM 382 CG1 VAL A 25 -18.872 29.807 15.053 1.00 0.00 C ATOM 383 CG2 VAL A 25 -20.684 31.527 15.132 1.00 0.00 C ATOM 0 H VAL A 25 -18.502 33.877 13.871 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.246 32.186 16.259 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.281 31.262 13.547 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.594 29.088 14.667 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.884 29.581 14.651 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.844 29.744 16.141 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -21.382 30.785 14.744 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -20.698 31.504 16.222 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -20.978 32.518 14.786 1.00 0.00 H new ATOM 393 N THR A 26 -15.983 31.526 15.493 1.00 0.00 N ATOM 394 CA THR A 26 -14.616 31.209 15.091 1.00 0.00 C ATOM 395 C THR A 26 -14.284 29.748 15.379 1.00 0.00 C ATOM 396 O THR A 26 -14.475 29.268 16.497 1.00 0.00 O ATOM 397 CB THR A 26 -13.592 32.108 15.808 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.678 31.901 17.224 1.00 0.00 O ATOM 399 CG2 THR A 26 -13.859 33.573 15.497 1.00 0.00 C ATOM 0 H THR A 26 -16.167 31.408 16.489 1.00 0.00 H new ATOM 0 HA THR A 26 -14.554 31.390 14.018 1.00 0.00 H new ATOM 0 HB THR A 26 -12.594 31.848 15.456 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.996 30.991 17.403 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.126 34.194 16.012 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.782 33.737 14.422 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.861 33.840 15.834 1.00 0.00 H new ATOM 407 N PHE A 27 -13.787 29.050 14.366 1.00 0.00 N ATOM 408 CA PHE A 27 -13.346 27.668 14.531 1.00 0.00 C ATOM 409 C PHE A 27 -12.333 27.282 13.462 1.00 0.00 C ATOM 410 O PHE A 27 -12.230 27.940 12.426 1.00 0.00 O ATOM 411 CB PHE A 27 -14.543 26.716 14.492 1.00 0.00 C ATOM 412 CG PHE A 27 -15.379 26.845 13.251 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.351 27.829 13.150 1.00 0.00 C ATOM 414 CD2 PHE A 27 -15.194 25.983 12.180 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.121 27.949 12.010 1.00 0.00 C ATOM 416 CE2 PHE A 27 -15.963 26.101 11.037 1.00 0.00 C ATOM 417 CZ PHE A 27 -16.926 27.084 10.952 1.00 0.00 C ATOM 0 H PHE A 27 -13.679 29.417 13.420 1.00 0.00 H new ATOM 0 HA PHE A 27 -12.861 27.586 15.504 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -14.183 25.690 14.571 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -15.171 26.901 15.363 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.508 28.510 13.973 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -14.441 25.211 12.240 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -17.875 28.719 11.946 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -15.809 25.423 10.211 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.527 27.177 10.059 1.00 0.00 H new ATOM 427 N THR A 28 -11.585 26.218 13.720 1.00 0.00 N ATOM 428 CA THR A 28 -10.467 25.841 12.862 1.00 0.00 C ATOM 429 C THR A 28 -10.198 24.342 12.935 1.00 0.00 C ATOM 430 O THR A 28 -10.634 23.669 13.869 1.00 0.00 O ATOM 431 CB THR A 28 -9.183 26.602 13.241 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.153 26.312 12.288 1.00 0.00 O ATOM 433 CG2 THR A 28 -8.712 26.196 14.629 1.00 0.00 C ATOM 0 H THR A 28 -11.731 25.599 14.517 1.00 0.00 H new ATOM 0 HA THR A 28 -10.749 26.107 11.843 1.00 0.00 H new ATOM 0 HB THR A 28 -9.399 27.670 13.239 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.820 27.149 11.901 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.804 26.744 14.880 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.488 26.427 15.359 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.506 25.126 14.645 1.00 0.00 H new ATOM 441 N CYS A 29 -9.471 23.826 11.947 1.00 0.00 N ATOM 442 CA CYS A 29 -9.176 22.400 11.879 1.00 0.00 C ATOM 443 C CYS A 29 -7.807 22.152 11.258 1.00 0.00 C ATOM 444 O CYS A 29 -7.363 22.907 10.391 1.00 0.00 O ATOM 445 CB CYS A 29 -10.285 21.870 10.969 1.00 0.00 C ATOM 446 SG CYS A 29 -10.356 20.067 10.849 1.00 0.00 S ATOM 0 H CYS A 29 -9.076 24.375 11.183 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.146 21.920 12.857 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.244 22.236 11.335 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.147 22.283 9.970 1.00 0.00 H new ATOM 0 HG CYS A 29 -9.613 19.541 11.777 1.00 0.00 H new ATOM 452 N ARG A 30 -7.142 21.093 11.705 1.00 0.00 N ATOM 453 CA ARG A 30 -5.773 20.816 11.292 1.00 0.00 C ATOM 454 C ARG A 30 -5.652 19.419 10.688 1.00 0.00 C ATOM 455 O ARG A 30 -6.205 18.456 11.219 1.00 0.00 O ATOM 456 CB ARG A 30 -4.780 21.025 12.425 1.00 0.00 C ATOM 457 CG ARG A 30 -3.321 20.833 12.040 1.00 0.00 C ATOM 458 CD ARG A 30 -2.358 21.119 13.134 1.00 0.00 C ATOM 459 NE ARG A 30 -0.975 20.802 12.815 1.00 0.00 N ATOM 460 CZ ARG A 30 -0.125 21.636 12.182 1.00 0.00 C ATOM 461 NH1 ARG A 30 -0.521 22.819 11.766 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 1.112 21.224 11.970 1.00 0.00 N ATOM 0 H ARG A 30 -7.531 20.411 12.356 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.518 21.537 10.515 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.907 22.033 12.819 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.022 20.334 13.233 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.178 19.806 11.705 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.093 21.479 11.193 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.425 22.175 13.394 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.653 20.554 14.018 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.623 19.885 13.089 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.484 23.118 11.921 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.135 23.438 11.289 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.401 20.297 12.283 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.778 21.833 11.494 1.00 0.00 H new ATOM 476 N VAL A 31 -4.927 19.321 9.582 1.00 0.00 N ATOM 477 CA VAL A 31 -4.742 18.046 8.896 1.00 0.00 C ATOM 478 C VAL A 31 -3.297 17.570 8.998 1.00 0.00 C ATOM 479 O VAL A 31 -2.394 18.361 9.272 1.00 0.00 O ATOM 480 CB VAL A 31 -5.138 18.139 7.411 1.00 0.00 C ATOM 481 CG1 VAL A 31 -6.621 18.447 7.273 1.00 0.00 C ATOM 482 CG2 VAL A 31 -4.308 19.198 6.703 1.00 0.00 C ATOM 0 H VAL A 31 -4.456 20.110 9.139 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.394 17.326 9.391 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.940 17.175 6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.883 18.509 6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.203 17.655 7.745 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.842 19.398 7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.602 19.250 5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.475 20.166 7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.252 18.938 6.772 1.00 0.00 H new ATOM 492 N ALA A 32 -3.088 16.277 8.774 1.00 0.00 N ATOM 493 CA ALA A 32 -1.747 15.707 8.792 1.00 0.00 C ATOM 494 C ALA A 32 -1.606 14.595 7.759 1.00 0.00 C ATOM 495 O ALA A 32 -1.641 13.414 8.096 1.00 0.00 O ATOM 496 CB ALA A 32 -1.411 15.187 10.183 1.00 0.00 C ATOM 0 H ALA A 32 -3.830 15.605 8.578 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.042 16.497 8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.406 14.764 10.181 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.458 16.007 10.899 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.128 14.417 10.466 1.00 0.00 H new ATOM 502 N GLY A 33 -1.447 14.984 6.501 1.00 0.00 N ATOM 503 CA GLY A 33 -1.230 14.025 5.421 1.00 0.00 C ATOM 504 C GLY A 33 0.075 14.304 4.690 1.00 0.00 C ATOM 505 O GLY A 33 0.871 15.139 5.118 1.00 0.00 O ATOM 0 H GLY A 33 -1.464 15.959 6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.213 13.014 5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.061 14.072 4.717 1.00 0.00 H new ATOM 509 N ASN A 34 0.294 13.599 3.578 1.00 0.00 N ATOM 510 CA ASN A 34 1.494 13.790 2.769 1.00 0.00 C ATOM 511 C ASN A 34 1.252 13.373 1.338 1.00 0.00 C ATOM 512 O ASN A 34 1.202 12.182 1.020 1.00 0.00 O ATOM 513 CB ASN A 34 2.670 12.981 3.387 1.00 0.00 C ATOM 514 CG ASN A 34 4.068 13.245 2.819 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.240 13.698 1.697 1.00 0.00 O ATOM 516 ND2 ASN A 34 5.111 12.955 3.549 1.00 0.00 N ATOM 0 H ASN A 34 -0.346 12.891 3.219 1.00 0.00 H new ATOM 0 HA ASN A 34 1.752 14.849 2.765 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.695 13.184 4.458 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.451 11.920 3.269 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.050 13.107 3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.987 12.576 4.488 1.00 0.00 H new ATOM 523 N PRO A 35 1.125 14.358 0.455 1.00 0.00 N ATOM 524 CA PRO A 35 1.344 15.750 0.828 1.00 0.00 C ATOM 525 C PRO A 35 0.224 16.263 1.724 1.00 0.00 C ATOM 526 O PRO A 35 -0.882 15.725 1.722 1.00 0.00 O ATOM 527 CB PRO A 35 1.398 16.493 -0.511 1.00 0.00 C ATOM 528 CG PRO A 35 1.659 15.426 -1.518 1.00 0.00 C ATOM 529 CD PRO A 35 0.965 14.199 -0.987 1.00 0.00 C ATOM 0 HA PRO A 35 2.255 15.893 1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.461 17.012 -0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.187 17.245 -0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.269 15.705 -2.497 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.728 15.252 -1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.084 14.165 -1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.426 13.280 -1.350 1.00 0.00 H new ATOM 537 N LYS A 36 0.522 17.307 2.494 1.00 0.00 N ATOM 538 CA LYS A 36 -0.464 17.897 3.394 1.00 0.00 C ATOM 539 C LYS A 36 -1.713 18.326 2.632 1.00 0.00 C ATOM 540 O LYS A 36 -1.635 19.073 1.659 1.00 0.00 O ATOM 541 CB LYS A 36 0.136 19.092 4.137 1.00 0.00 C ATOM 542 CG LYS A 36 1.212 18.725 5.151 1.00 0.00 C ATOM 543 CD LYS A 36 1.714 19.954 5.893 1.00 0.00 C ATOM 544 CE LYS A 36 2.783 19.589 6.912 1.00 0.00 C ATOM 545 NZ LYS A 36 3.309 20.786 7.621 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.436 17.760 2.512 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.751 17.138 4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.561 19.782 3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.664 19.624 4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.812 18.005 5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.045 18.240 4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.119 20.671 5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.880 20.442 6.397 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.368 18.891 7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.603 19.076 6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.998 20.488 8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.774 21.418 6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.524 21.290 8.080 1.00 0.00 H new ATOM 559 N PRO A 37 -2.869 17.847 3.087 1.00 0.00 N ATOM 560 CA PRO A 37 -4.130 18.123 2.408 1.00 0.00 C ATOM 561 C PRO A 37 -4.370 19.621 2.278 1.00 0.00 C ATOM 562 O PRO A 37 -4.000 20.398 3.157 1.00 0.00 O ATOM 563 CB PRO A 37 -5.186 17.444 3.288 1.00 0.00 C ATOM 564 CG PRO A 37 -4.444 16.340 3.966 1.00 0.00 C ATOM 565 CD PRO A 37 -3.058 16.875 4.205 1.00 0.00 C ATOM 0 HA PRO A 37 -4.149 17.746 1.385 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.610 18.141 4.011 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.014 17.060 2.692 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.925 16.062 4.904 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.418 15.445 3.344 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.976 17.360 5.178 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.311 16.082 4.180 1.00 0.00 H new ATOM 573 N LYS A 38 -4.994 20.024 1.173 1.00 0.00 N ATOM 574 CA LYS A 38 -5.412 21.407 0.993 1.00 0.00 C ATOM 575 C LYS A 38 -6.833 21.627 1.493 1.00 0.00 C ATOM 576 O LYS A 38 -7.801 21.352 0.784 1.00 0.00 O ATOM 577 CB LYS A 38 -5.304 21.810 -0.479 1.00 0.00 C ATOM 578 CG LYS A 38 -3.884 21.803 -1.030 1.00 0.00 C ATOM 579 CD LYS A 38 -3.863 22.157 -2.510 1.00 0.00 C ATOM 580 CE LYS A 38 -2.443 22.182 -3.055 1.00 0.00 C ATOM 581 NZ LYS A 38 -2.397 22.647 -4.467 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.220 19.410 0.390 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.745 22.035 1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.915 21.132 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.724 22.809 -0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.273 22.515 -0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.440 20.819 -0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.456 21.432 -3.068 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.329 23.131 -2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.829 22.837 -2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.011 21.183 -2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.412 22.649 -4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.962 22.008 -5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.785 23.610 -4.528 1.00 0.00 H new ATOM 595 N ILE A 39 -6.952 22.121 2.722 1.00 0.00 N ATOM 596 CA ILE A 39 -8.241 22.210 3.392 1.00 0.00 C ATOM 597 C ILE A 39 -9.199 23.111 2.623 1.00 0.00 C ATOM 598 O ILE A 39 -8.926 24.294 2.416 1.00 0.00 O ATOM 599 CB ILE A 39 -8.094 22.738 4.830 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.361 21.715 5.702 1.00 0.00 C ATOM 601 CG2 ILE A 39 -9.457 23.063 5.420 1.00 0.00 C ATOM 602 CD1 ILE A 39 -6.979 22.238 7.068 1.00 0.00 C ATOM 0 H ILE A 39 -6.167 22.466 3.274 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.649 21.200 3.427 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.504 23.654 4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.994 20.836 5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.460 21.389 5.183 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.334 23.435 6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.945 23.825 4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.071 22.163 5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.464 21.456 7.626 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.320 23.099 6.957 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.878 22.537 7.608 1.00 0.00 H new ATOM 614 N TYR A 40 -10.325 22.546 2.201 1.00 0.00 N ATOM 615 CA TYR A 40 -11.387 23.324 1.575 1.00 0.00 C ATOM 616 C TYR A 40 -12.626 23.379 2.460 1.00 0.00 C ATOM 617 O TYR A 40 -12.921 22.431 3.188 1.00 0.00 O ATOM 618 CB TYR A 40 -11.744 22.739 0.207 1.00 0.00 C ATOM 619 CG TYR A 40 -10.620 22.807 -0.802 1.00 0.00 C ATOM 620 CD1 TYR A 40 -10.245 24.017 -1.367 1.00 0.00 C ATOM 621 CD2 TYR A 40 -9.937 21.663 -1.188 1.00 0.00 C ATOM 622 CE1 TYR A 40 -9.218 24.087 -2.289 1.00 0.00 C ATOM 623 CE2 TYR A 40 -8.909 21.720 -2.108 1.00 0.00 C ATOM 624 CZ TYR A 40 -8.553 22.936 -2.657 1.00 0.00 C ATOM 625 OH TYR A 40 -7.530 22.999 -3.576 1.00 0.00 O ATOM 0 H TYR A 40 -10.526 21.549 2.282 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.019 24.341 1.441 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.042 21.698 0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.608 23.271 -0.190 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -10.764 24.920 -1.082 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.214 20.710 -0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.938 25.037 -2.719 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.387 20.820 -2.396 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.167 22.101 -3.723 1.00 0.00 H new ATOM 635 N TRP A 41 -13.349 24.488 2.390 1.00 0.00 N ATOM 636 CA TRP A 41 -14.573 24.657 3.170 1.00 0.00 C ATOM 637 C TRP A 41 -15.787 24.797 2.266 1.00 0.00 C ATOM 638 O TRP A 41 -15.733 25.457 1.229 1.00 0.00 O ATOM 639 CB TRP A 41 -14.460 25.876 4.086 1.00 0.00 C ATOM 640 CG TRP A 41 -13.397 25.742 5.133 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.093 26.125 5.025 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.545 25.189 6.446 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.418 25.843 6.187 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.291 25.268 7.077 1.00 0.00 C ATOM 645 CE3 TRP A 41 -14.621 24.633 7.150 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.079 24.815 8.370 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.409 24.180 8.447 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.174 24.269 9.039 1.00 0.00 C ATOM 0 H TRP A 41 -13.111 25.286 1.801 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.703 23.764 3.781 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.252 26.758 3.480 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.420 26.044 4.574 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.654 26.584 4.151 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.430 26.030 6.360 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -15.597 24.558 6.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.108 24.882 8.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.232 23.750 8.999 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.047 23.907 10.049 1.00 0.00 H new ATOM 659 N PHE A 42 -16.889 24.169 2.665 1.00 0.00 N ATOM 660 CA PHE A 42 -18.175 24.390 2.016 1.00 0.00 C ATOM 661 C PHE A 42 -19.328 24.159 2.984 1.00 0.00 C ATOM 662 O PHE A 42 -19.248 23.307 3.870 1.00 0.00 O ATOM 663 CB PHE A 42 -18.322 23.478 0.796 1.00 0.00 C ATOM 664 CG PHE A 42 -18.185 22.016 1.113 1.00 0.00 C ATOM 665 CD1 PHE A 42 -16.935 21.420 1.183 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.307 21.234 1.341 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.808 20.076 1.472 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.183 19.888 1.633 1.00 0.00 C ATOM 669 CZ PHE A 42 -17.934 19.309 1.698 1.00 0.00 C ATOM 0 H PHE A 42 -16.916 23.502 3.436 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.209 25.429 1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.296 23.652 0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.570 23.752 0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.050 22.014 1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.289 21.681 1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.828 19.624 1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.065 19.290 1.810 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.836 18.258 1.925 1.00 0.00 H new ATOM 679 N LYS A 43 -20.399 24.925 2.812 1.00 0.00 N ATOM 680 CA LYS A 43 -21.516 24.902 3.752 1.00 0.00 C ATOM 681 C LYS A 43 -22.749 24.260 3.127 1.00 0.00 C ATOM 682 O LYS A 43 -23.369 24.830 2.231 1.00 0.00 O ATOM 683 CB LYS A 43 -21.845 26.319 4.228 1.00 0.00 C ATOM 684 CG LYS A 43 -22.784 26.376 5.425 1.00 0.00 C ATOM 685 CD LYS A 43 -24.233 26.504 4.987 1.00 0.00 C ATOM 686 CE LYS A 43 -25.144 26.824 6.165 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.577 26.594 5.843 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.519 25.570 2.031 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.217 24.301 4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -20.916 26.828 4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.293 26.872 3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.663 25.476 6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.518 27.222 6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.319 27.288 4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.556 25.575 4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.861 26.208 7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.002 27.863 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.147 26.693 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -26.891 27.292 5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.697 25.636 5.457 1.00 0.00 H new ATOM 701 N ASP A 44 -23.097 23.069 3.604 1.00 0.00 N ATOM 702 CA ASP A 44 -24.218 22.318 3.048 1.00 0.00 C ATOM 703 C ASP A 44 -24.067 22.139 1.543 1.00 0.00 C ATOM 704 O ASP A 44 -25.054 22.121 0.808 1.00 0.00 O ATOM 705 CB ASP A 44 -25.544 23.016 3.363 1.00 0.00 C ATOM 706 CG ASP A 44 -25.944 22.974 4.831 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.317 22.258 5.577 1.00 0.00 O ATOM 708 OD2 ASP A 44 -26.763 23.768 5.226 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.619 22.603 4.375 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.220 21.332 3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.476 24.057 3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.334 22.554 2.771 1.00 0.00 H new ATOM 713 N GLY A 45 -22.825 22.007 1.089 1.00 0.00 N ATOM 714 CA GLY A 45 -22.547 21.760 -0.320 1.00 0.00 C ATOM 715 C GLY A 45 -22.213 23.055 -1.051 1.00 0.00 C ATOM 716 O GLY A 45 -21.910 23.042 -2.243 1.00 0.00 O ATOM 0 H GLY A 45 -21.994 22.067 1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.715 21.062 -0.412 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.412 21.288 -0.787 1.00 0.00 H new ATOM 720 N LYS A 46 -22.266 24.167 -0.326 1.00 0.00 N ATOM 721 CA LYS A 46 -22.013 25.476 -0.916 1.00 0.00 C ATOM 722 C LYS A 46 -20.562 25.895 -0.722 1.00 0.00 C ATOM 723 O LYS A 46 -20.178 26.367 0.350 1.00 0.00 O ATOM 724 CB LYS A 46 -22.949 26.525 -0.313 1.00 0.00 C ATOM 725 CG LYS A 46 -24.430 26.258 -0.550 1.00 0.00 C ATOM 726 CD LYS A 46 -25.297 27.287 0.159 1.00 0.00 C ATOM 727 CE LYS A 46 -26.776 27.045 -0.110 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.631 28.115 0.472 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.482 24.188 0.671 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.207 25.403 -1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.770 26.580 0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.697 27.501 -0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.639 26.278 -1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.683 25.259 -0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.109 27.246 1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.024 28.288 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -26.945 26.991 -1.186 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.067 26.081 0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.630 27.912 0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.490 28.150 1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.371 29.032 0.055 1.00 0.00 H new ATOM 742 N GLN A 47 -19.755 25.720 -1.762 1.00 0.00 N ATOM 743 CA GLN A 47 -18.337 26.055 -1.701 1.00 0.00 C ATOM 744 C GLN A 47 -18.128 27.466 -1.170 1.00 0.00 C ATOM 745 O GLN A 47 -18.717 28.421 -1.675 1.00 0.00 O ATOM 746 CB GLN A 47 -17.694 25.923 -3.084 1.00 0.00 C ATOM 747 CG GLN A 47 -16.192 26.145 -3.095 1.00 0.00 C ATOM 748 CD GLN A 47 -15.593 25.984 -4.480 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.313 25.798 -5.465 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.269 26.049 -4.563 1.00 0.00 N ATOM 0 H GLN A 47 -20.060 25.347 -2.661 1.00 0.00 H new ATOM 0 HA GLN A 47 -17.861 25.353 -1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -17.906 24.929 -3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.161 26.640 -3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -15.973 27.145 -2.721 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.718 25.439 -2.413 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.712 26.204 -3.723 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.809 25.944 -5.467 1.00 0.00 H new ATOM 759 N ILE A 48 -17.287 27.590 -0.149 1.00 0.00 N ATOM 760 CA ILE A 48 -17.030 28.879 0.482 1.00 0.00 C ATOM 761 C ILE A 48 -15.774 29.528 -0.083 1.00 0.00 C ATOM 762 O ILE A 48 -14.693 28.938 -0.053 1.00 0.00 O ATOM 763 CB ILE A 48 -16.885 28.742 2.008 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.184 28.220 2.623 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.498 30.077 2.627 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.055 27.821 4.076 1.00 0.00 C ATOM 0 H ILE A 48 -16.771 26.811 0.260 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.890 29.512 0.265 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.093 28.024 2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -18.952 28.989 2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.527 27.359 2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.400 29.963 3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.548 30.410 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.269 30.816 2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.017 27.461 4.441 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.312 27.030 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -17.743 28.684 4.664 1.00 0.00 H new ATOM 778 N SER A 49 -15.919 30.749 -0.588 1.00 0.00 N ATOM 779 CA SER A 49 -14.777 31.527 -1.052 1.00 0.00 C ATOM 780 C SER A 49 -14.118 32.277 0.097 1.00 0.00 C ATOM 781 O SER A 49 -14.790 32.932 0.892 1.00 0.00 O ATOM 782 CB SER A 49 -15.209 32.496 -2.135 1.00 0.00 C ATOM 783 OG SER A 49 -14.166 33.344 -2.530 1.00 0.00 O ATOM 0 H SER A 49 -16.818 31.221 -0.686 1.00 0.00 H new ATOM 0 HA SER A 49 -14.043 30.836 -1.467 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.568 31.937 -2.999 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.045 33.095 -1.773 1.00 0.00 H new ATOM 0 HG SER A 49 -14.485 33.951 -3.230 1.00 0.00 H new ATOM 789 N PRO A 50 -12.794 32.172 0.183 1.00 0.00 N ATOM 790 CA PRO A 50 -12.036 32.872 1.212 1.00 0.00 C ATOM 791 C PRO A 50 -12.339 34.366 1.199 1.00 0.00 C ATOM 792 O PRO A 50 -12.419 34.986 0.139 1.00 0.00 O ATOM 793 CB PRO A 50 -10.574 32.577 0.864 1.00 0.00 C ATOM 794 CG PRO A 50 -10.622 31.289 0.115 1.00 0.00 C ATOM 795 CD PRO A 50 -11.901 31.337 -0.679 1.00 0.00 C ATOM 0 HA PRO A 50 -12.288 32.543 2.220 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.142 33.373 0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.962 32.492 1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.757 31.182 -0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.614 30.438 0.796 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.751 31.786 -1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.313 30.341 -0.843 1.00 0.00 H new ATOM 803 N LYS A 51 -12.507 34.943 2.386 1.00 0.00 N ATOM 804 CA LYS A 51 -12.767 36.369 2.515 1.00 0.00 C ATOM 805 C LYS A 51 -14.037 36.768 1.772 1.00 0.00 C ATOM 806 O LYS A 51 -14.007 37.625 0.887 1.00 0.00 O ATOM 807 CB LYS A 51 -11.576 37.177 1.996 1.00 0.00 C ATOM 808 CG LYS A 51 -10.277 36.937 2.752 1.00 0.00 C ATOM 809 CD LYS A 51 -9.148 37.792 2.196 1.00 0.00 C ATOM 810 CE LYS A 51 -7.853 37.567 2.961 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.721 38.339 2.381 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.467 34.441 3.273 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.910 36.589 3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.420 36.937 0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.822 38.238 2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.421 37.164 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.005 35.884 2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.996 37.556 1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.426 38.845 2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.993 37.856 4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.608 36.505 2.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.858 38.157 2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.570 38.046 1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.942 39.355 2.410 1.00 0.00 H new ATOM 825 N SER A 52 -15.151 36.142 2.136 1.00 0.00 N ATOM 826 CA SER A 52 -16.436 36.445 1.519 1.00 0.00 C ATOM 827 C SER A 52 -17.211 37.467 2.340 1.00 0.00 C ATOM 828 O SER A 52 -16.636 38.179 3.166 1.00 0.00 O ATOM 829 CB SER A 52 -17.248 35.176 1.351 1.00 0.00 C ATOM 830 OG SER A 52 -18.385 35.379 0.558 1.00 0.00 O ATOM 0 H SER A 52 -15.189 35.421 2.856 1.00 0.00 H new ATOM 0 HA SER A 52 -16.248 36.877 0.536 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.625 34.404 0.899 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.551 34.808 2.331 1.00 0.00 H new ATOM 0 HG SER A 52 -18.879 34.537 0.473 1.00 0.00 H new ATOM 836 N ASP A 53 -18.516 37.541 2.104 1.00 0.00 N ATOM 837 CA ASP A 53 -19.366 38.503 2.794 1.00 0.00 C ATOM 838 C ASP A 53 -19.239 38.366 4.308 1.00 0.00 C ATOM 839 O ASP A 53 -19.117 39.358 5.022 1.00 0.00 O ATOM 840 CB ASP A 53 -20.827 38.327 2.370 1.00 0.00 C ATOM 841 CG ASP A 53 -21.135 38.806 0.958 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.306 39.473 0.384 1.00 0.00 O ATOM 843 OD2 ASP A 53 -22.119 38.374 0.407 1.00 0.00 O1- ATOM 0 H ASP A 53 -19.009 36.945 1.439 1.00 0.00 H new ATOM 0 HA ASP A 53 -19.034 39.503 2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -21.091 37.272 2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.463 38.867 3.071 1.00 0.00 H new ATOM 848 N HIS A 54 -19.270 37.127 4.789 1.00 0.00 N ATOM 849 CA HIS A 54 -19.142 36.855 6.216 1.00 0.00 C ATOM 850 C HIS A 54 -18.210 35.682 6.473 1.00 0.00 C ATOM 851 O HIS A 54 -17.885 35.375 7.621 1.00 0.00 O ATOM 852 CB HIS A 54 -20.513 36.578 6.841 1.00 0.00 C ATOM 853 CG HIS A 54 -21.452 37.742 6.770 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.327 38.849 7.584 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.531 37.973 5.984 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.289 39.711 7.300 1.00 0.00 C ATOM 857 NE2 HIS A 54 -23.032 39.202 6.335 1.00 0.00 N ATOM 0 H HIS A 54 -19.383 36.295 4.210 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.714 37.743 6.681 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -20.967 35.725 6.337 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.376 36.296 7.885 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.923 37.314 5.224 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.441 40.668 7.776 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.848 39.650 5.917 1.00 0.00 H new ATOM 865 N TYR A 55 -17.781 35.026 5.400 1.00 0.00 N ATOM 866 CA TYR A 55 -17.017 33.788 5.512 1.00 0.00 C ATOM 867 C TYR A 55 -15.546 34.021 5.198 1.00 0.00 C ATOM 868 O TYR A 55 -15.138 34.014 4.035 1.00 0.00 O ATOM 869 CB TYR A 55 -17.591 32.718 4.580 1.00 0.00 C ATOM 870 CG TYR A 55 -18.991 32.275 4.941 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.510 32.518 6.205 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.792 31.617 4.018 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.789 32.117 6.539 1.00 0.00 C ATOM 874 CE2 TYR A 55 -21.070 31.211 4.343 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.566 31.463 5.604 1.00 0.00 C ATOM 876 OH TYR A 55 -22.841 31.061 5.933 1.00 0.00 O ATOM 0 H TYR A 55 -17.950 35.331 4.441 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.095 33.439 6.542 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.594 33.103 3.560 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -16.932 31.850 4.591 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.904 33.029 6.939 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.408 31.419 3.028 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -21.179 32.314 7.527 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.679 30.698 3.613 1.00 0.00 H new ATOM 0 HH TYR A 55 -23.381 31.845 6.167 1.00 0.00 H new ATOM 886 N THR A 56 -14.748 34.223 6.240 1.00 0.00 N ATOM 887 CA THR A 56 -13.317 34.452 6.083 1.00 0.00 C ATOM 888 C THR A 56 -12.531 33.162 6.273 1.00 0.00 C ATOM 889 O THR A 56 -12.629 32.510 7.315 1.00 0.00 O ATOM 890 CB THR A 56 -12.800 35.507 7.079 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.469 36.754 6.846 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.301 35.703 6.917 1.00 0.00 C ATOM 0 H THR A 56 -15.070 34.233 7.208 1.00 0.00 H new ATOM 0 HA THR A 56 -13.167 34.821 5.068 1.00 0.00 H new ATOM 0 HB THR A 56 -13.003 35.160 8.092 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.141 37.425 7.481 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.953 36.452 7.629 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.788 34.759 7.103 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.085 36.039 5.903 1.00 0.00 H new ATOM 900 N ILE A 57 -11.746 32.796 5.264 1.00 0.00 N ATOM 901 CA ILE A 57 -10.909 31.602 5.338 1.00 0.00 C ATOM 902 C ILE A 57 -9.434 31.971 5.413 1.00 0.00 C ATOM 903 O ILE A 57 -8.950 32.800 4.641 1.00 0.00 O ATOM 904 CB ILE A 57 -11.137 30.676 4.130 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.580 30.164 4.114 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.156 29.514 4.158 1.00 0.00 C ATOM 907 CD1 ILE A 57 -12.939 29.389 2.867 1.00 0.00 C ATOM 0 H ILE A 57 -11.672 33.309 4.385 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.195 31.072 6.247 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.965 31.247 3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.739 29.528 4.984 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.258 31.012 4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.331 28.869 3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.136 29.898 4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.296 28.941 5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -13.976 29.059 2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.813 30.028 1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.287 28.520 2.778 1.00 0.00 H new ATOM 919 N GLN A 58 -8.721 31.349 6.347 1.00 0.00 N ATOM 920 CA GLN A 58 -7.278 31.529 6.454 1.00 0.00 C ATOM 921 C GLN A 58 -6.563 30.185 6.530 1.00 0.00 C ATOM 922 O GLN A 58 -6.659 29.472 7.531 1.00 0.00 O ATOM 923 CB GLN A 58 -6.931 32.369 7.686 1.00 0.00 C ATOM 924 CG GLN A 58 -5.441 32.548 7.918 1.00 0.00 C ATOM 925 CD GLN A 58 -4.783 33.383 6.837 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.249 34.478 6.510 1.00 0.00 O ATOM 927 NE2 GLN A 58 -3.695 32.870 6.273 1.00 0.00 N ATOM 0 H GLN A 58 -9.119 30.716 7.040 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.941 32.052 5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.392 33.351 7.584 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.371 31.901 8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.281 33.022 8.887 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.962 31.570 7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.345 31.961 6.575 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.210 33.385 5.538 1.00 0.00 H new ATOM 936 N ARG A 59 -5.842 29.843 5.468 1.00 0.00 N ATOM 937 CA ARG A 59 -5.183 28.549 5.372 1.00 0.00 C ATOM 938 C ARG A 59 -3.694 28.664 5.673 1.00 0.00 C ATOM 939 O ARG A 59 -2.906 29.066 4.812 1.00 0.00 O ATOM 940 CB ARG A 59 -5.428 27.879 4.029 1.00 0.00 C ATOM 941 CG ARG A 59 -4.953 26.438 3.936 1.00 0.00 C ATOM 942 CD ARG A 59 -5.112 25.825 2.593 1.00 0.00 C ATOM 943 NE ARG A 59 -6.481 25.795 2.102 1.00 0.00 N ATOM 944 CZ ARG A 59 -6.969 26.606 1.145 1.00 0.00 C ATOM 945 NH1 ARG A 59 -6.218 27.535 0.597 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -8.232 26.458 0.785 1.00 0.00 N ATOM 0 H ARG A 59 -5.700 30.448 4.659 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.629 27.907 6.132 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.496 27.909 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.931 28.461 3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.901 26.396 4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.503 25.839 4.663 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.496 26.375 1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.728 24.805 2.625 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.116 25.111 2.512 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.250 27.650 0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.604 28.141 -0.127 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.809 25.744 1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.630 27.058 0.062 1.00 0.00 H new ATOM 960 N ASP A 60 -3.312 28.313 6.894 1.00 0.00 N ATOM 961 CA ASP A 60 -1.904 28.260 7.271 1.00 0.00 C ATOM 962 C ASP A 60 -1.205 27.066 6.626 1.00 0.00 C ATOM 963 O ASP A 60 -1.702 25.944 6.675 1.00 0.00 O ATOM 964 CB ASP A 60 -1.759 28.195 8.793 1.00 0.00 C ATOM 965 CG ASP A 60 -0.323 28.283 9.292 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.571 28.244 8.481 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.135 28.547 10.456 1.00 0.00 O1- ATOM 0 H ASP A 60 -3.958 28.060 7.642 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.427 29.171 6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.335 29.007 9.236 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.198 27.263 9.148 1.00 0.00 H new ATOM 972 N LEU A 61 -0.050 27.323 6.022 1.00 0.00 N ATOM 973 CA LEU A 61 0.675 26.296 5.282 1.00 0.00 C ATOM 974 C LEU A 61 1.210 25.221 6.214 1.00 0.00 C ATOM 975 O LEU A 61 1.639 24.155 5.766 1.00 0.00 O ATOM 976 CB LEU A 61 1.822 26.926 4.482 1.00 0.00 C ATOM 977 CG LEU A 61 1.389 27.875 3.357 1.00 0.00 C ATOM 978 CD1 LEU A 61 2.613 28.512 2.712 1.00 0.00 C ATOM 979 CD2 LEU A 61 0.577 27.103 2.327 1.00 0.00 C ATOM 0 H LEU A 61 0.405 28.236 6.030 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.022 25.825 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.466 27.474 5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.424 26.127 4.050 1.00 0.00 H new ATOM 0 HG LEU A 61 0.768 28.670 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.296 29.184 1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.168 29.075 3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.253 27.733 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.269 27.777 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.186 26.300 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.306 26.678 2.804 1.00 0.00 H new ATOM 991 N ASP A 62 1.187 25.500 7.511 1.00 0.00 N ATOM 992 CA ASP A 62 1.613 24.531 8.515 1.00 0.00 C ATOM 993 C ASP A 62 0.705 23.306 8.514 1.00 0.00 C ATOM 994 O ASP A 62 1.125 22.212 8.891 1.00 0.00 O ATOM 995 CB ASP A 62 1.632 25.173 9.905 1.00 0.00 C ATOM 996 CG ASP A 62 2.772 26.156 10.129 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.674 26.183 9.325 1.00 0.00 O ATOM 998 OD2 ASP A 62 2.658 26.976 11.007 1.00 0.00 O1- ATOM 0 H ASP A 62 0.877 26.393 7.894 1.00 0.00 H new ATOM 0 HA ASP A 62 2.623 24.208 8.262 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.686 25.690 10.066 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.696 24.385 10.655 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.538 23.498 8.092 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.490 22.396 7.988 1.00 0.00 C ATOM 1005 C GLY A 63 -2.791 22.730 8.707 1.00 0.00 C ATOM 1006 O GLY A 63 -3.699 21.902 8.785 1.00 0.00 O ATOM 0 H GLY A 63 -0.912 24.406 7.816 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.694 22.185 6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.055 21.493 8.416 1.00 0.00 H new ATOM 1010 N THR A 64 -2.880 23.948 9.233 1.00 0.00 N ATOM 1011 CA THR A 64 -4.093 24.413 9.899 1.00 0.00 C ATOM 1012 C THR A 64 -4.813 25.462 9.064 1.00 0.00 C ATOM 1013 O THR A 64 -4.185 26.353 8.494 1.00 0.00 O ATOM 1014 CB THR A 64 -3.786 25.002 11.288 1.00 0.00 C ATOM 1015 OG1 THR A 64 -3.157 24.004 12.104 1.00 0.00 O ATOM 1016 CG2 THR A 64 -5.065 25.472 11.963 1.00 0.00 C ATOM 0 H THR A 64 -2.124 24.633 9.211 1.00 0.00 H new ATOM 0 HA THR A 64 -4.737 23.542 10.018 1.00 0.00 H new ATOM 0 HB THR A 64 -3.119 25.855 11.165 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.960 24.380 12.987 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.828 25.885 12.943 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.539 26.239 11.351 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.746 24.629 12.079 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.136 25.348 8.993 1.00 0.00 N ATOM 1025 CA CYS A 65 -6.953 26.347 8.314 1.00 0.00 C ATOM 1026 C CYS A 65 -8.173 26.717 9.148 1.00 0.00 C ATOM 1027 O CYS A 65 -8.853 25.844 9.692 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.373 25.624 7.034 1.00 0.00 C ATOM 1029 SG CYS A 65 -8.215 26.673 5.824 1.00 0.00 S ATOM 0 H CYS A 65 -6.664 24.575 9.397 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.426 27.284 8.134 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.487 25.192 6.568 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.030 24.796 7.298 1.00 0.00 H new ATOM 0 HG CYS A 65 -8.526 25.966 4.778 1.00 0.00 H new ATOM 1035 N SER A 66 -8.446 28.014 9.245 1.00 0.00 N ATOM 1036 CA SER A 66 -9.539 28.506 10.074 1.00 0.00 C ATOM 1037 C SER A 66 -10.677 29.052 9.218 1.00 0.00 C ATOM 1038 O SER A 66 -10.447 29.609 8.145 1.00 0.00 O ATOM 1039 CB SER A 66 -9.033 29.572 11.024 1.00 0.00 C ATOM 1040 OG SER A 66 -8.026 29.089 11.870 1.00 0.00 O ATOM 0 H SER A 66 -7.924 28.744 8.759 1.00 0.00 H new ATOM 0 HA SER A 66 -9.929 27.670 10.655 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.650 30.416 10.450 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.863 29.945 11.625 1.00 0.00 H new ATOM 0 HG SER A 66 -7.726 29.808 12.465 1.00 0.00 H new ATOM 1046 N LEU A 67 -11.902 28.890 9.700 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.065 29.500 9.064 1.00 0.00 C ATOM 1048 C LEU A 67 -13.845 30.360 10.050 1.00 0.00 C ATOM 1049 O LEU A 67 -14.451 29.846 10.989 1.00 0.00 O ATOM 1050 CB LEU A 67 -13.973 28.416 8.467 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.296 28.924 7.879 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -15.021 29.905 6.746 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.118 27.745 7.384 1.00 0.00 C ATOM 0 H LEU A 67 -12.118 28.340 10.531 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.711 30.147 8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.423 27.894 7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.196 27.683 9.243 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.861 29.445 8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.966 30.260 6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.451 30.752 7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.450 29.406 5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.058 28.106 6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.561 27.210 6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.326 27.072 8.216 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.820 31.670 9.831 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.456 32.610 10.744 1.00 0.00 C ATOM 1067 C HIS A 68 -15.710 33.222 10.126 1.00 0.00 C ATOM 1068 O HIS A 68 -15.652 33.828 9.056 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.476 33.717 11.147 1.00 0.00 C ATOM 1070 CG HIS A 68 -12.319 33.229 11.961 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -11.283 34.051 12.351 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -12.033 32.002 12.459 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -10.410 33.351 13.054 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -10.841 32.106 13.133 1.00 0.00 N ATOM 0 H HIS A 68 -13.365 32.105 9.028 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.751 32.056 11.635 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -13.097 34.200 10.246 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -14.013 34.477 11.714 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -12.630 31.109 12.347 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.499 33.733 13.490 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -10.366 31.344 13.617 1.00 0.00 H new ATOM 1082 N THR A 69 -16.839 33.056 10.806 1.00 0.00 N ATOM 1083 CA THR A 69 -18.089 33.674 10.375 1.00 0.00 C ATOM 1084 C THR A 69 -18.341 34.979 11.118 1.00 0.00 C ATOM 1085 O THR A 69 -18.439 35.000 12.343 1.00 0.00 O ATOM 1086 CB THR A 69 -19.289 32.734 10.591 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.109 31.539 9.820 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.583 33.414 10.170 1.00 0.00 C ATOM 0 H THR A 69 -16.915 32.499 11.657 1.00 0.00 H new ATOM 0 HA THR A 69 -17.987 33.878 9.309 1.00 0.00 H new ATOM 0 HB THR A 69 -19.349 32.486 11.651 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.873 30.941 9.960 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.420 32.734 10.330 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.730 34.316 10.764 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.528 33.679 9.114 1.00 0.00 H new ATOM 1096 N THR A 70 -18.440 36.070 10.365 1.00 0.00 N ATOM 1097 CA THR A 70 -18.594 37.396 10.953 1.00 0.00 C ATOM 1098 C THR A 70 -19.918 37.520 11.695 1.00 0.00 C ATOM 1099 O THR A 70 -19.970 38.030 12.816 1.00 0.00 O ATOM 1100 CB THR A 70 -18.513 38.502 9.884 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.217 38.486 9.273 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.758 39.867 10.509 1.00 0.00 C ATOM 0 H THR A 70 -18.416 36.062 9.345 1.00 0.00 H new ATOM 0 HA THR A 70 -17.772 37.523 11.658 1.00 0.00 H new ATOM 0 HB THR A 70 -19.279 38.316 9.131 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.168 39.189 8.592 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.697 40.636 9.739 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.748 39.887 10.964 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.004 40.058 11.273 1.00 0.00 H new ATOM 1110 N ALA A 71 -20.989 37.045 11.068 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.329 37.181 11.629 1.00 0.00 C ATOM 1112 C ALA A 71 -23.182 35.959 11.318 1.00 0.00 C ATOM 1113 O ALA A 71 -23.883 35.920 10.305 1.00 0.00 O ATOM 1114 CB ALA A 71 -22.998 38.442 11.103 1.00 0.00 C ATOM 0 H ALA A 71 -20.955 36.562 10.170 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.234 37.259 12.712 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -23.997 38.529 11.531 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.405 39.313 11.384 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.072 38.389 10.017 1.00 0.00 H new ATOM 1120 N SER A 72 -23.118 34.960 12.193 1.00 0.00 N ATOM 1121 CA SER A 72 -23.844 33.713 11.990 1.00 0.00 C ATOM 1122 C SER A 72 -25.322 33.877 12.318 1.00 0.00 C ATOM 1123 O SER A 72 -25.695 34.011 13.485 1.00 0.00 O ATOM 1124 CB SER A 72 -23.233 32.612 12.833 1.00 0.00 C ATOM 1125 OG SER A 72 -23.913 31.395 12.682 1.00 0.00 O ATOM 0 H SER A 72 -22.569 34.991 13.052 1.00 0.00 H new ATOM 0 HA SER A 72 -23.764 33.439 10.938 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.188 32.480 12.554 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.248 32.908 13.882 1.00 0.00 H new ATOM 0 HG SER A 72 -23.421 30.820 12.060 1.00 0.00 H new ATOM 1131 N THR A 73 -26.158 33.860 11.289 1.00 0.00 N ATOM 1132 CA THR A 73 -27.599 33.997 11.467 1.00 0.00 C ATOM 1133 C THR A 73 -28.317 32.688 11.160 1.00 0.00 C ATOM 1134 O THR A 73 -27.687 31.684 10.839 1.00 0.00 O ATOM 1135 CB THR A 73 -28.177 35.110 10.573 1.00 0.00 C ATOM 1136 OG1 THR A 73 -28.035 34.742 9.195 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.450 36.423 10.822 1.00 0.00 C ATOM 0 H THR A 73 -25.863 33.752 10.319 1.00 0.00 H new ATOM 0 HA THR A 73 -27.763 34.263 12.511 1.00 0.00 H new ATOM 0 HB THR A 73 -29.232 35.239 10.814 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.092 34.561 9.000 1.00 0.00 H new ATOM 0 HG21 THR A 73 -27.871 37.199 10.182 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.567 36.711 11.867 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.391 36.301 10.596 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.642 32.710 11.266 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.447 31.515 11.034 1.00 0.00 C ATOM 1147 C LEU A 74 -30.267 30.998 9.612 1.00 0.00 C ATOM 1148 O LEU A 74 -30.400 29.802 9.356 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.926 31.810 11.311 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.269 32.111 12.776 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.726 32.537 12.894 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.997 30.877 13.625 1.00 0.00 C ATOM 0 H LEU A 74 -30.181 33.541 11.511 1.00 0.00 H new ATOM 0 HA LEU A 74 -30.107 30.739 11.720 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -32.231 32.660 10.701 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.518 30.955 10.984 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.645 32.929 13.136 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.960 32.748 13.937 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.893 33.433 12.296 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.370 31.735 12.533 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -32.241 31.091 14.666 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.611 30.049 13.271 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.944 30.607 13.547 1.00 0.00 H new ATOM 1164 N ASP A 75 -29.967 31.908 8.690 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.701 31.535 7.308 1.00 0.00 C ATOM 1166 C ASP A 75 -28.302 30.941 7.160 1.00 0.00 C ATOM 1167 O ASP A 75 -28.003 30.278 6.167 1.00 0.00 O ATOM 1168 CB ASP A 75 -29.861 32.745 6.386 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.301 33.197 6.185 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.189 32.455 6.532 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.502 34.335 5.834 1.00 0.00 O1- ATOM 0 H ASP A 75 -29.902 32.909 8.877 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.427 30.775 7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.286 33.576 6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.429 32.506 5.414 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.456 31.183 8.153 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.098 30.652 8.148 1.00 0.00 C ATOM 1178 C ASP A 76 -26.014 29.343 8.921 1.00 0.00 C ATOM 1179 O ASP A 76 -25.032 28.605 8.810 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.120 31.674 8.733 1.00 0.00 C ATOM 1181 CG ASP A 76 -25.038 32.982 7.959 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.809 32.934 6.775 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.358 34.002 8.520 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.686 31.744 8.973 1.00 0.00 H new ATOM 0 HA ASP A 76 -25.823 30.453 7.112 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.413 31.892 9.760 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.127 31.227 8.773 1.00 0.00 H new ATOM 1188 N ASP A 77 -27.045 29.059 9.708 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.153 27.780 10.401 1.00 0.00 C ATOM 1190 C ASP A 77 -27.081 26.615 9.420 1.00 0.00 C ATOM 1191 O ASP A 77 -27.817 26.576 8.432 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.454 27.711 11.205 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.612 26.449 12.041 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.940 25.485 11.758 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.280 26.507 13.044 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.820 29.699 9.883 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.310 27.702 11.088 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.505 28.577 11.864 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.296 27.784 10.517 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.193 25.670 9.696 1.00 0.00 N ATOM 1201 CA GLY A 78 -26.011 24.508 8.828 1.00 0.00 C ATOM 1202 C GLY A 78 -24.664 23.840 9.078 1.00 0.00 C ATOM 1203 O GLY A 78 -24.019 24.082 10.094 1.00 0.00 O ATOM 0 H GLY A 78 -25.585 25.683 10.515 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.813 23.791 9.002 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.079 24.816 7.785 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.246 22.999 8.138 1.00 0.00 N ATOM 1208 CA ASN A 79 -23.036 22.206 8.306 1.00 0.00 C ATOM 1209 C ASN A 79 -21.904 22.742 7.441 1.00 0.00 C ATOM 1210 O ASN A 79 -21.928 22.614 6.217 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.286 20.742 7.998 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.344 20.113 8.862 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.224 20.064 10.090 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.342 19.561 8.219 1.00 0.00 N ATOM 0 H ASN A 79 -24.728 22.850 7.252 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.739 22.287 9.352 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.579 20.645 6.953 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.354 20.190 8.121 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -26.067 19.062 8.734 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.395 19.630 7.203 1.00 0.00 H new ATOM 1221 N TYR A 80 -20.908 23.344 8.084 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.738 23.855 7.376 1.00 0.00 C ATOM 1223 C TYR A 80 -18.709 22.756 7.147 1.00 0.00 C ATOM 1224 O TYR A 80 -17.641 22.751 7.760 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.105 25.009 8.158 1.00 0.00 C ATOM 1226 CG TYR A 80 -19.983 26.237 8.254 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -21.052 26.281 9.135 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.732 27.353 7.466 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -21.856 27.401 9.227 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.530 28.478 7.548 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.590 28.495 8.433 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.389 29.617 8.521 1.00 0.00 O ATOM 0 H TYR A 80 -20.887 23.490 9.093 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.069 24.221 6.404 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -18.866 24.665 9.164 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.163 25.284 7.683 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.260 25.425 9.760 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.900 27.341 6.778 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.687 27.419 9.916 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.327 29.337 6.925 1.00 0.00 H new ATOM 0 HH TYR A 80 -22.481 30.023 7.634 1.00 0.00 H new ATOM 1242 N THR A 81 -19.039 21.819 6.264 1.00 0.00 N ATOM 1243 CA THR A 81 -18.240 20.609 6.092 1.00 0.00 C ATOM 1244 C THR A 81 -16.851 20.936 5.560 1.00 0.00 C ATOM 1245 O THR A 81 -16.705 21.733 4.632 1.00 0.00 O ATOM 1246 CB THR A 81 -18.923 19.613 5.137 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.217 19.267 5.646 1.00 0.00 O ATOM 1248 CG2 THR A 81 -18.084 18.350 4.995 1.00 0.00 C ATOM 0 H THR A 81 -19.855 21.874 5.655 1.00 0.00 H new ATOM 0 HA THR A 81 -18.149 20.151 7.077 1.00 0.00 H new ATOM 0 HB THR A 81 -19.024 20.083 4.159 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.650 18.634 5.036 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.582 17.657 4.317 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.103 18.608 4.595 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.966 17.880 5.971 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.835 20.316 6.149 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.456 20.545 5.737 1.00 0.00 C ATOM 1258 C ILE A 82 -13.893 19.334 5.006 1.00 0.00 C ATOM 1259 O ILE A 82 -14.146 18.193 5.387 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.554 20.875 6.940 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -12.080 20.838 6.528 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.815 19.904 8.081 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -11.127 21.230 7.633 1.00 0.00 C ATOM 0 H ILE A 82 -15.941 19.650 6.914 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.467 21.400 5.061 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.790 21.882 7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.833 19.832 6.188 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.933 21.507 5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -13.169 20.151 8.924 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.858 19.977 8.389 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.605 18.887 7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.102 21.179 7.265 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.346 22.247 7.958 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.244 20.547 8.474 1.00 0.00 H new ATOM 1275 N MET A 83 -13.127 19.591 3.950 1.00 0.00 N ATOM 1276 CA MET A 83 -12.587 18.526 3.114 1.00 0.00 C ATOM 1277 C MET A 83 -11.067 18.571 3.072 1.00 0.00 C ATOM 1278 O MET A 83 -10.478 19.569 2.654 1.00 0.00 O ATOM 1279 CB MET A 83 -13.156 18.626 1.701 1.00 0.00 C ATOM 1280 CG MET A 83 -12.600 17.599 0.724 1.00 0.00 C ATOM 1281 SD MET A 83 -13.412 17.659 -0.885 1.00 0.00 S ATOM 1282 CE MET A 83 -12.864 19.254 -1.483 1.00 0.00 C ATOM 0 H MET A 83 -12.866 20.531 3.653 1.00 0.00 H new ATOM 0 HA MET A 83 -12.883 17.573 3.552 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.239 18.514 1.750 1.00 0.00 H new ATOM 0 HB3 MET A 83 -12.956 19.625 1.312 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.531 17.769 0.594 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.715 16.601 1.147 1.00 0.00 H new ATOM 0 HE1 MET A 83 -12.482 19.150 -2.499 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.702 19.951 -1.480 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.074 19.633 -0.835 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.432 17.487 3.509 1.00 0.00 N ATOM 1293 CA ALA A 84 -8.981 17.369 3.434 1.00 0.00 C ATOM 1294 C ALA A 84 -8.549 16.766 2.102 1.00 0.00 C ATOM 1295 O ALA A 84 -8.063 15.635 2.051 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.460 16.534 4.595 1.00 0.00 C ATOM 0 H ALA A 84 -10.900 16.679 3.918 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.553 18.369 3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.375 16.454 4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.730 17.012 5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.901 15.538 4.554 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.723 17.527 1.027 1.00 0.00 N ATOM 1303 CA ALA A 85 -8.435 17.036 -0.313 1.00 0.00 C ATOM 1304 C ALA A 85 -6.941 17.069 -0.603 1.00 0.00 C ATOM 1305 O ALA A 85 -6.302 18.115 -0.501 1.00 0.00 O ATOM 1306 CB ALA A 85 -9.202 17.847 -1.349 1.00 0.00 C ATOM 0 H ALA A 85 -9.063 18.488 1.059 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.761 15.998 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.977 17.469 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.272 17.759 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.907 18.894 -1.283 1.00 0.00 H new ATOM 1312 N ASN A 86 -6.391 15.916 -0.969 1.00 0.00 N ATOM 1313 CA ASN A 86 -5.011 15.840 -1.434 1.00 0.00 C ATOM 1314 C ASN A 86 -4.841 14.747 -2.481 1.00 0.00 C ATOM 1315 O ASN A 86 -5.790 14.038 -2.811 1.00 0.00 O ATOM 1316 CB ASN A 86 -4.047 15.616 -0.283 1.00 0.00 C ATOM 1317 CG ASN A 86 -4.031 14.202 0.226 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -4.782 13.340 -0.248 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -3.239 13.978 1.244 1.00 0.00 N ATOM 0 H ASN A 86 -6.880 15.021 -0.953 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.775 16.800 -1.894 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.042 15.888 -0.605 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.312 16.285 0.536 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.222 13.058 1.684 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.639 14.723 1.597 1.00 0.00 H new ATOM 1326 N PRO A 87 -3.626 14.616 -3.003 1.00 0.00 N ATOM 1327 CA PRO A 87 -3.352 13.678 -4.082 1.00 0.00 C ATOM 1328 C PRO A 87 -3.704 12.254 -3.677 1.00 0.00 C ATOM 1329 O PRO A 87 -3.991 11.407 -4.524 1.00 0.00 O ATOM 1330 CB PRO A 87 -1.853 13.847 -4.352 1.00 0.00 C ATOM 1331 CG PRO A 87 -1.553 15.244 -3.925 1.00 0.00 C ATOM 1332 CD PRO A 87 -2.431 15.491 -2.726 1.00 0.00 C ATOM 0 HA PRO A 87 -3.950 13.872 -4.972 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.264 13.124 -3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.620 13.695 -5.406 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.499 15.360 -3.671 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.769 15.954 -4.723 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.934 15.214 -1.796 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.710 16.541 -2.638 1.00 0.00 H new ATOM 1340 N GLN A 88 -3.686 11.994 -2.373 1.00 0.00 N ATOM 1341 CA GLN A 88 -3.803 10.633 -1.861 1.00 0.00 C ATOM 1342 C GLN A 88 -5.253 10.284 -1.554 1.00 0.00 C ATOM 1343 O GLN A 88 -5.567 9.148 -1.203 1.00 0.00 O ATOM 1344 CB GLN A 88 -2.952 10.458 -0.600 1.00 0.00 C ATOM 1345 CG GLN A 88 -1.475 10.752 -0.801 1.00 0.00 C ATOM 1346 CD GLN A 88 -0.852 9.878 -1.874 1.00 0.00 C ATOM 1347 OE1 GLN A 88 -1.049 8.660 -1.894 1.00 0.00 O ATOM 1348 NE2 GLN A 88 -0.095 10.497 -2.773 1.00 0.00 N ATOM 0 H GLN A 88 -3.591 12.709 -1.651 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.440 9.956 -2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.339 11.114 0.180 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.062 9.435 -0.240 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.350 11.800 -1.072 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.946 10.600 0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.040 11.506 -2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.351 9.963 -3.519 1.00 0.00 H new ATOM 1357 N GLY A 89 -6.136 11.270 -1.689 1.00 0.00 N ATOM 1358 CA GLY A 89 -7.554 11.067 -1.427 1.00 0.00 C ATOM 1359 C GLY A 89 -8.179 12.300 -0.784 1.00 0.00 C ATOM 1360 O GLY A 89 -7.690 13.418 -0.962 1.00 0.00 O ATOM 0 H GLY A 89 -5.892 12.217 -1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.070 10.839 -2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.686 10.206 -0.772 1.00 0.00 H new ATOM 1364 N ARG A 90 -9.256 12.090 -0.036 1.00 0.00 N ATOM 1365 CA ARG A 90 -9.919 13.178 0.669 1.00 0.00 C ATOM 1366 C ARG A 90 -10.705 12.659 1.870 1.00 0.00 C ATOM 1367 O ARG A 90 -11.201 11.531 1.854 1.00 0.00 O ATOM 1368 CB ARG A 90 -10.798 14.009 -0.254 1.00 0.00 C ATOM 1369 CG ARG A 90 -11.971 13.261 -0.867 1.00 0.00 C ATOM 1370 CD ARG A 90 -12.820 14.082 -1.767 1.00 0.00 C ATOM 1371 NE ARG A 90 -13.962 13.377 -2.327 1.00 0.00 N ATOM 1372 CZ ARG A 90 -14.903 13.945 -3.107 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -14.864 15.228 -3.391 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -15.881 13.181 -3.560 1.00 0.00 N ATOM 0 H ARG A 90 -9.688 11.176 0.097 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.138 13.841 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.182 14.862 0.305 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.180 14.408 -1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.589 12.407 -1.427 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.592 12.864 -0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.180 14.950 -1.214 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.204 14.457 -2.584 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.057 12.384 -2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.113 15.810 -3.019 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.584 15.641 -3.983 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.909 12.191 -3.317 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.608 13.581 -4.153 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.812 13.484 2.902 1.00 0.00 N ATOM 1389 CA VAL A 91 -11.594 13.137 4.084 1.00 0.00 C ATOM 1390 C VAL A 91 -12.589 14.237 4.431 1.00 0.00 C ATOM 1391 O VAL A 91 -12.229 15.410 4.498 1.00 0.00 O ATOM 1392 CB VAL A 91 -10.690 12.874 5.302 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -11.527 12.492 6.514 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -9.679 11.780 4.990 1.00 0.00 C ATOM 0 H VAL A 91 -10.367 14.401 2.946 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.138 12.224 3.842 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.147 13.791 5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.872 12.310 7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.214 13.304 6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.095 11.588 6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.049 11.608 5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.205 10.860 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.058 12.088 4.149 1.00 0.00 H new ATOM 1404 N SER A 92 -13.841 13.850 4.650 1.00 0.00 N ATOM 1405 CA SER A 92 -14.891 14.803 4.981 1.00 0.00 C ATOM 1406 C SER A 92 -15.223 14.767 6.465 1.00 0.00 C ATOM 1407 O SER A 92 -15.382 13.695 7.053 1.00 0.00 O ATOM 1408 CB SER A 92 -16.132 14.520 4.157 1.00 0.00 C ATOM 1409 OG SER A 92 -17.216 15.318 4.545 1.00 0.00 O ATOM 0 H SER A 92 -14.153 12.880 4.604 1.00 0.00 H new ATOM 0 HA SER A 92 -14.526 15.802 4.744 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.914 14.693 3.103 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.402 13.469 4.258 1.00 0.00 H new ATOM 0 HG SER A 92 -17.994 15.106 3.989 1.00 0.00 H new ATOM 1415 N CYS A 93 -15.327 15.944 7.070 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.758 16.058 8.461 1.00 0.00 C ATOM 1417 C CYS A 93 -16.776 17.174 8.634 1.00 0.00 C ATOM 1418 O CYS A 93 -16.572 18.293 8.157 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.460 16.396 9.193 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.639 16.608 10.980 1.00 0.00 S ATOM 0 H CYS A 93 -15.119 16.835 6.620 1.00 0.00 H new ATOM 0 HA CYS A 93 -16.246 15.156 8.831 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.735 15.604 9.005 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -14.048 17.312 8.771 1.00 0.00 H new ATOM 0 HG CYS A 93 -13.482 16.889 11.502 1.00 0.00 H new ATOM 1426 N THR A 94 -17.873 16.871 9.321 1.00 0.00 N ATOM 1427 CA THR A 94 -18.983 17.808 9.442 1.00 0.00 C ATOM 1428 C THR A 94 -18.620 18.979 10.346 1.00 0.00 C ATOM 1429 O THR A 94 -18.158 18.784 11.473 1.00 0.00 O ATOM 1430 CB THR A 94 -20.245 17.119 9.993 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.618 16.038 9.129 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.396 18.109 10.086 1.00 0.00 C ATOM 0 H THR A 94 -18.016 15.983 9.802 1.00 0.00 H new ATOM 0 HA THR A 94 -19.191 18.180 8.439 1.00 0.00 H new ATOM 0 HB THR A 94 -20.026 16.737 10.990 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.420 15.599 9.482 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.279 17.604 10.477 1.00 0.00 H new ATOM 0 HG22 THR A 94 -21.120 18.926 10.752 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.615 18.507 9.095 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.827 20.192 9.848 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.610 21.396 10.644 1.00 0.00 C ATOM 1442 C GLY A 95 -19.931 21.961 11.153 1.00 0.00 C ATOM 1443 O GLY A 95 -20.268 23.113 10.879 1.00 0.00 O ATOM 0 H GLY A 95 -19.145 20.369 8.895 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.960 21.166 11.488 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.097 22.146 10.042 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.671 21.148 11.899 1.00 0.00 N ATOM 1448 CA ARG A 96 -22.015 21.514 12.331 1.00 0.00 C ATOM 1449 C ARG A 96 -22.002 22.803 13.143 1.00 0.00 C ATOM 1450 O ARG A 96 -21.314 22.899 14.158 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.702 20.387 13.087 1.00 0.00 C ATOM 1452 CG ARG A 96 -24.146 20.663 13.474 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.833 19.522 14.131 1.00 0.00 C ATOM 1454 NE ARG A 96 -26.232 19.761 14.447 1.00 0.00 N ATOM 1455 CZ ARG A 96 -27.021 18.904 15.122 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.567 17.737 15.524 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -28.274 19.257 15.352 1.00 0.00 N ATOM 0 H ARG A 96 -20.362 20.230 12.218 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.602 21.693 11.430 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.671 19.486 12.474 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -22.132 20.176 13.992 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -24.172 21.522 14.144 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.703 20.940 12.579 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.764 18.650 13.481 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -24.303 19.276 15.051 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.645 20.640 14.135 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.603 17.469 15.326 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -27.179 17.100 16.034 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.619 20.158 15.021 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.896 18.629 15.861 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.768 23.791 12.690 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.976 25.010 13.462 1.00 0.00 C ATOM 1473 C LEU A 97 -24.459 25.346 13.567 1.00 0.00 C ATOM 1474 O LEU A 97 -25.108 25.658 12.567 1.00 0.00 O ATOM 1475 CB LEU A 97 -22.207 26.176 12.828 1.00 0.00 C ATOM 1476 CG LEU A 97 -22.485 27.553 13.445 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -22.062 27.565 14.908 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -21.741 28.622 12.659 1.00 0.00 C ATOM 0 H LEU A 97 -23.254 23.771 11.793 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.597 24.843 14.470 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.139 25.970 12.904 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.449 26.216 11.766 1.00 0.00 H new ATOM 0 HG LEU A 97 -23.553 27.764 13.398 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -22.263 28.547 15.337 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.623 26.808 15.455 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.996 27.349 14.980 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.939 29.600 13.098 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.671 28.419 12.692 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -22.080 28.614 11.623 1.00 0.00 H new ATOM 1490 N MET A 98 -24.988 25.282 14.782 1.00 0.00 N ATOM 1491 CA MET A 98 -26.396 25.585 15.023 1.00 0.00 C ATOM 1492 C MET A 98 -26.568 26.998 15.565 1.00 0.00 C ATOM 1493 O MET A 98 -25.770 27.466 16.376 1.00 0.00 O ATOM 1494 CB MET A 98 -26.996 24.569 15.992 1.00 0.00 C ATOM 1495 CG MET A 98 -27.009 23.137 15.476 1.00 0.00 C ATOM 1496 SD MET A 98 -28.057 22.931 14.022 1.00 0.00 S ATOM 1497 CE MET A 98 -29.678 23.204 14.731 1.00 0.00 C ATOM 0 H MET A 98 -24.464 25.023 15.618 1.00 0.00 H new ATOM 0 HA MET A 98 -26.924 25.522 14.072 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.434 24.600 16.926 1.00 0.00 H new ATOM 0 HB3 MET A 98 -28.018 24.867 16.225 1.00 0.00 H new ATOM 0 HG2 MET A 98 -25.991 22.834 15.231 1.00 0.00 H new ATOM 0 HG3 MET A 98 -27.357 22.473 16.267 1.00 0.00 H new ATOM 0 HE1 MET A 98 -30.441 22.823 14.052 1.00 0.00 H new ATOM 0 HE2 MET A 98 -29.750 22.684 15.686 1.00 0.00 H new ATOM 0 HE3 MET A 98 -29.832 24.272 14.887 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.620 27.673 15.112 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.868 29.057 15.502 1.00 0.00 C ATOM 1509 C VAL A 99 -29.167 29.185 16.285 1.00 0.00 C ATOM 1510 O VAL A 99 -30.243 28.864 15.780 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.926 29.988 14.276 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -28.211 31.418 14.707 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.623 29.919 13.493 1.00 0.00 C ATOM 0 H VAL A 99 -28.315 27.284 14.474 1.00 0.00 H new ATOM 0 HA VAL A 99 -27.034 29.358 16.136 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.737 29.654 13.628 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -28.249 32.062 13.829 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -29.168 31.457 15.227 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.421 31.761 15.375 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.681 30.583 12.630 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.797 30.228 14.133 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.456 28.897 13.154 1.00 0.00 H new ATOM 1523 N GLN A 100 -29.059 29.656 17.525 1.00 0.00 N ATOM 1524 CA GLN A 100 -30.231 29.864 18.366 1.00 0.00 C ATOM 1525 C GLN A 100 -30.773 31.278 18.213 1.00 0.00 C ATOM 1526 O GLN A 100 -30.074 32.258 18.473 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.891 29.598 19.834 1.00 0.00 C ATOM 1528 CG GLN A 100 -30.997 29.970 20.807 1.00 0.00 C ATOM 1529 CD GLN A 100 -32.227 29.098 20.645 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -32.148 27.870 20.710 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -33.375 29.732 20.428 1.00 0.00 N ATOM 0 H GLN A 100 -28.173 29.900 17.967 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.999 29.162 18.043 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -29.657 28.540 19.955 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -28.991 30.156 20.094 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -30.624 29.882 21.827 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -31.273 31.014 20.658 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -33.394 30.751 20.382 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -34.237 29.200 20.308 1.00 0.00 H new