USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 637 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 70 ASN : amide:sc= 1.84 K(o=1.3,f=-9.2!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.55 USER MOD Set 2.1: A 64 SER OG : rot -97:sc= 0.452 USER MOD Set 2.2: A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 36:sc= -0.0985 USER MOD Single : A 8 MET CE :methyl -117:sc= -1.26 (180deg=-4.42!) USER MOD Single : A 9 LYS NZ :NH3+ 130:sc= 0.871 (180deg=0.223) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-0.89) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -170:sc=-0.00148 (180deg=-0.103) USER MOD Single : A 48 HIS : no HD1:sc= -1.81 X(o=-1.8,f=-1.4) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= 0.32 (180deg=0.242) USER MOD Single : A 54 THR OG1 : rot 89:sc= 0.708 USER MOD Single : A 55 HIS : no HD1:sc= -0.0919 X(o=-0.092,f=-0.21) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 150:sc= 1.21 (180deg=0.677) USER MOD Single : A 66 TYR OH : rot 13:sc= 0.0914 USER MOD Single : A 69 GLN : amide:sc= 0.325 K(o=0.33,f=-2.5) USER MOD Single : A 76 TYR OH : rot 170:sc= 0.00683 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.418 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -150:sc= -0.0296 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 157:sc= -0.109 (180deg=-0.497) USER MOD ----------------------------------------------------------------- ATOM 69 N SER A 7 -17.323 -6.306 -4.969 1.00 0.00 N ATOM 70 CA SER A 7 -16.039 -5.711 -5.090 1.00 0.00 C ATOM 71 C SER A 7 -15.856 -4.689 -3.982 1.00 0.00 C ATOM 72 O SER A 7 -16.723 -3.849 -3.727 1.00 0.00 O ATOM 73 CB SER A 7 -15.853 -5.136 -6.471 1.00 0.00 C ATOM 74 OG SER A 7 -16.100 -6.127 -7.470 1.00 0.00 O ATOM 0 HA SER A 7 -15.259 -6.462 -4.970 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.529 -4.293 -6.613 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.838 -4.752 -6.576 1.00 0.00 H new ATOM 0 HG SER A 7 -16.824 -6.717 -7.173 1.00 0.00 H new ATOM 80 N MET A 8 -14.752 -4.798 -3.332 1.00 0.00 N ATOM 81 CA MET A 8 -14.488 -4.076 -2.122 1.00 0.00 C ATOM 82 C MET A 8 -13.424 -3.070 -2.254 1.00 0.00 C ATOM 83 O MET A 8 -12.438 -3.303 -2.900 1.00 0.00 O ATOM 84 CB MET A 8 -14.067 -5.034 -1.080 1.00 0.00 C ATOM 85 CG MET A 8 -15.045 -6.131 -0.876 1.00 0.00 C ATOM 86 SD MET A 8 -14.691 -7.076 0.545 1.00 0.00 S ATOM 87 CE MET A 8 -15.997 -8.237 0.439 1.00 0.00 C ATOM 0 H MET A 8 -13.985 -5.403 -3.627 1.00 0.00 H new ATOM 0 HA MET A 8 -15.410 -3.553 -1.867 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.102 -5.460 -1.354 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.925 -4.501 -0.140 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.047 -5.710 -0.790 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.046 -6.781 -1.751 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.648 -8.132 1.307 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.571 -8.057 -0.470 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.586 -9.246 0.414 1.00 0.00 H new ATOM 97 N LYS A 9 -13.613 -1.955 -1.623 1.00 0.00 N ATOM 98 CA LYS A 9 -12.623 -0.950 -1.575 1.00 0.00 C ATOM 99 C LYS A 9 -11.882 -1.074 -0.236 1.00 0.00 C ATOM 100 O LYS A 9 -12.388 -0.694 0.828 1.00 0.00 O ATOM 101 CB LYS A 9 -13.254 0.415 -1.793 1.00 0.00 C ATOM 102 CG LYS A 9 -12.305 1.589 -1.647 1.00 0.00 C ATOM 103 CD LYS A 9 -12.988 2.915 -1.951 1.00 0.00 C ATOM 104 CE LYS A 9 -13.151 3.168 -3.436 1.00 0.00 C ATOM 105 NZ LYS A 9 -11.849 3.371 -4.124 1.00 0.00 N ATOM 0 H LYS A 9 -14.472 -1.723 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.893 -1.072 -2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.691 0.442 -2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.072 0.538 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.908 1.610 -0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.457 1.456 -2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.969 2.930 -1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.408 3.726 -1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.671 2.325 -3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.778 4.047 -3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.801 2.759 -4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.762 4.365 -4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.072 3.131 -3.475 1.00 0.00 H new ATOM 119 N ILE A 10 -10.731 -1.667 -0.311 1.00 0.00 N ATOM 120 CA ILE A 10 -9.901 -1.988 0.812 1.00 0.00 C ATOM 121 C ILE A 10 -8.649 -1.153 0.777 1.00 0.00 C ATOM 122 O ILE A 10 -8.094 -0.936 -0.296 1.00 0.00 O ATOM 123 CB ILE A 10 -9.535 -3.473 0.690 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.807 -4.307 0.841 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.445 -3.880 1.679 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.689 -5.715 0.363 1.00 0.00 C ATOM 0 H ILE A 10 -10.323 -1.955 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.420 -1.788 1.749 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.109 -3.659 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.096 -4.317 1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.613 -3.818 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.219 -4.939 1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.546 -3.293 1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.791 -3.699 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.639 -6.230 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.434 -5.719 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.908 -6.226 0.926 1.00 0.00 H new ATOM 138 N ARG A 11 -8.224 -0.657 1.920 1.00 0.00 N ATOM 139 CA ARG A 11 -6.997 0.057 1.986 1.00 0.00 C ATOM 140 C ARG A 11 -5.852 -0.863 1.824 1.00 0.00 C ATOM 141 O ARG A 11 -5.833 -1.948 2.388 1.00 0.00 O ATOM 142 CB ARG A 11 -6.842 0.812 3.292 1.00 0.00 C ATOM 143 CG ARG A 11 -7.405 2.214 3.238 1.00 0.00 C ATOM 144 CD ARG A 11 -7.087 2.965 4.503 1.00 0.00 C ATOM 145 NE ARG A 11 -7.518 4.360 4.444 1.00 0.00 N ATOM 146 CZ ARG A 11 -6.891 5.384 5.051 1.00 0.00 C ATOM 147 NH1 ARG A 11 -5.728 5.191 5.689 1.00 0.00 N ATOM 148 NH2 ARG A 11 -7.404 6.600 4.982 1.00 0.00 N ATOM 0 H ARG A 11 -8.720 -0.743 2.807 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.013 0.781 1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.341 0.257 4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.785 0.861 3.553 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.991 2.745 2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.485 2.172 3.096 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.571 2.473 5.346 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.013 2.926 4.685 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.356 4.573 3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.310 4.261 5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.261 5.974 6.146 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.272 6.759 4.470 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.932 7.379 5.441 1.00 0.00 H new ATOM 162 N VAL A 12 -4.944 -0.490 1.052 1.00 0.00 N ATOM 163 CA VAL A 12 -3.811 -1.258 0.852 1.00 0.00 C ATOM 164 C VAL A 12 -2.610 -0.478 1.287 1.00 0.00 C ATOM 165 O VAL A 12 -2.485 0.693 0.869 1.00 0.00 O ATOM 166 CB VAL A 12 -3.663 -1.505 -0.682 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.459 -2.381 -0.965 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.918 -2.167 -1.229 1.00 0.00 C ATOM 0 H VAL A 12 -4.964 0.382 0.524 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.891 -2.192 1.409 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.521 -0.542 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.371 -2.543 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.558 -1.891 -0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.581 -3.340 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.804 -2.335 -2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.074 -3.122 -0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.777 -1.520 -1.053 1.00 0.00 H new ATOM 178 N GLU A 13 -1.764 -1.030 2.138 1.00 0.00 N ATOM 179 CA GLU A 13 -0.503 -0.394 2.318 1.00 0.00 C ATOM 180 C GLU A 13 0.425 -0.918 1.272 1.00 0.00 C ATOM 181 O GLU A 13 0.292 -2.060 0.843 1.00 0.00 O ATOM 182 CB GLU A 13 0.258 -0.524 3.654 1.00 0.00 C ATOM 183 CG GLU A 13 -0.278 0.380 4.742 1.00 0.00 C ATOM 184 CD GLU A 13 0.515 0.305 6.023 1.00 0.00 C ATOM 185 OE1 GLU A 13 1.625 0.876 6.087 1.00 0.00 O ATOM 186 OE2 GLU A 13 0.040 -0.298 6.997 1.00 0.00 O ATOM 0 H GLU A 13 -1.927 -1.876 2.684 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.777 0.660 2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.207 -1.558 3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.311 -0.295 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.278 1.409 4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.315 0.114 4.948 1.00 0.00 H new ATOM 193 N LEU A 14 1.339 -0.115 0.864 1.00 0.00 N ATOM 194 CA LEU A 14 2.327 -0.517 -0.081 1.00 0.00 C ATOM 195 C LEU A 14 3.688 -0.494 0.554 1.00 0.00 C ATOM 196 O LEU A 14 4.060 0.480 1.228 1.00 0.00 O ATOM 197 CB LEU A 14 2.244 0.407 -1.324 1.00 0.00 C ATOM 198 CG LEU A 14 3.310 0.319 -2.462 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.506 1.193 -2.194 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.735 -1.106 -2.750 1.00 0.00 C ATOM 0 H LEU A 14 1.427 0.852 1.178 1.00 0.00 H new ATOM 0 HA LEU A 14 2.144 -1.541 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.271 0.237 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.250 1.434 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 14 2.819 0.699 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.218 1.097 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.186 2.232 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.981 0.884 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.477 -1.110 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.167 -1.545 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.867 -1.689 -3.058 1.00 0.00 H new ATOM 212 N ILE A 15 4.432 -1.549 0.358 1.00 0.00 N ATOM 213 CA ILE A 15 5.826 -1.559 0.760 1.00 0.00 C ATOM 214 C ILE A 15 6.683 -1.434 -0.505 1.00 0.00 C ATOM 215 O ILE A 15 6.650 -2.319 -1.387 1.00 0.00 O ATOM 216 CB ILE A 15 6.337 -2.860 1.523 1.00 0.00 C ATOM 217 CG1 ILE A 15 6.020 -2.763 3.038 1.00 0.00 C ATOM 218 CG2 ILE A 15 7.839 -3.129 1.332 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.573 -2.471 3.382 1.00 0.00 C ATOM 0 H ILE A 15 4.105 -2.413 -0.075 1.00 0.00 H new ATOM 0 HA ILE A 15 5.918 -0.734 1.466 1.00 0.00 H new ATOM 0 HB ILE A 15 5.800 -3.698 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.306 -3.702 3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.644 -1.982 3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.120 -4.029 1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.052 -3.266 0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.411 -2.282 1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.459 -2.424 4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.280 -1.517 2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.938 -3.262 2.984 1.00 0.00 H new ATOM 483 N PRO A 33 2.612 4.699 1.495 1.00 0.00 N ATOM 484 CA PRO A 33 1.643 4.918 0.411 1.00 0.00 C ATOM 485 C PRO A 33 0.477 3.941 0.556 1.00 0.00 C ATOM 486 O PRO A 33 0.680 2.734 0.780 1.00 0.00 O ATOM 487 CB PRO A 33 2.483 4.563 -0.835 1.00 0.00 C ATOM 488 CG PRO A 33 3.723 3.945 -0.309 1.00 0.00 C ATOM 489 CD PRO A 33 3.969 4.618 0.960 1.00 0.00 C ATOM 0 HA PRO A 33 1.211 5.918 0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.947 3.874 -1.487 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.706 5.452 -1.425 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.600 2.871 -0.169 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.556 4.084 -0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.635 4.048 1.608 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.420 5.601 0.826 1.00 0.00 H new ATOM 497 N SER A 34 -0.709 4.448 0.456 1.00 0.00 N ATOM 498 CA SER A 34 -1.876 3.658 0.647 1.00 0.00 C ATOM 499 C SER A 34 -2.925 4.032 -0.371 1.00 0.00 C ATOM 500 O SER A 34 -2.884 5.127 -0.939 1.00 0.00 O ATOM 501 CB SER A 34 -2.393 3.865 2.078 1.00 0.00 C ATOM 502 OG SER A 34 -2.460 5.261 2.391 1.00 0.00 O ATOM 0 H SER A 34 -0.894 5.427 0.238 1.00 0.00 H new ATOM 0 HA SER A 34 -1.638 2.603 0.509 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.380 3.415 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.736 3.359 2.785 1.00 0.00 H new ATOM 0 HG SER A 34 -2.793 5.376 3.306 1.00 0.00 H new ATOM 508 N VAL A 35 -3.826 3.136 -0.625 1.00 0.00 N ATOM 509 CA VAL A 35 -4.916 3.374 -1.522 1.00 0.00 C ATOM 510 C VAL A 35 -6.074 2.546 -1.099 1.00 0.00 C ATOM 511 O VAL A 35 -5.888 1.488 -0.525 1.00 0.00 O ATOM 512 CB VAL A 35 -4.537 3.051 -3.018 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.046 1.639 -3.182 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.702 3.286 -3.971 1.00 0.00 C ATOM 0 H VAL A 35 -3.826 2.204 -0.210 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.169 4.433 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.731 3.739 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.796 1.460 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.159 1.488 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.826 0.944 -2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.392 3.050 -4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.538 2.646 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.010 4.330 -3.918 1.00 0.00 H new ATOM 524 N SER A 36 -7.232 3.025 -1.331 1.00 0.00 N ATOM 525 CA SER A 36 -8.383 2.289 -1.091 1.00 0.00 C ATOM 526 C SER A 36 -8.780 1.685 -2.448 1.00 0.00 C ATOM 527 O SER A 36 -9.394 2.340 -3.300 1.00 0.00 O ATOM 528 CB SER A 36 -9.411 3.176 -0.512 1.00 0.00 C ATOM 529 OG SER A 36 -8.879 3.915 0.582 1.00 0.00 O ATOM 0 H SER A 36 -7.399 3.961 -1.701 1.00 0.00 H new ATOM 0 HA SER A 36 -8.247 1.484 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.779 3.861 -1.276 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.263 2.584 -0.178 1.00 0.00 H new ATOM 0 HG SER A 36 -9.574 4.498 0.952 1.00 0.00 H new ATOM 535 N HIS A 37 -8.429 0.443 -2.627 1.00 0.00 N ATOM 536 CA HIS A 37 -8.468 -0.186 -3.884 1.00 0.00 C ATOM 537 C HIS A 37 -9.627 -1.153 -3.965 1.00 0.00 C ATOM 538 O HIS A 37 -9.974 -1.795 -2.992 1.00 0.00 O ATOM 539 CB HIS A 37 -7.120 -0.891 -4.119 1.00 0.00 C ATOM 540 CG HIS A 37 -7.038 -1.672 -5.389 1.00 0.00 C ATOM 541 ND1 HIS A 37 -6.602 -1.168 -6.586 1.00 0.00 N ATOM 542 CD2 HIS A 37 -7.371 -2.927 -5.620 1.00 0.00 C ATOM 543 CE1 HIS A 37 -6.682 -2.103 -7.501 1.00 0.00 C ATOM 544 NE2 HIS A 37 -7.154 -3.189 -6.942 1.00 0.00 N ATOM 0 H HIS A 37 -8.102 -0.161 -1.873 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.624 0.555 -4.668 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.328 -0.142 -4.117 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -6.926 -1.562 -3.282 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -7.750 -3.627 -4.890 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -6.406 -1.996 -8.540 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.329 -4.077 -7.413 1.00 0.00 H new ATOM 553 N ILE A 38 -10.188 -1.234 -5.132 1.00 0.00 N ATOM 554 CA ILE A 38 -11.357 -2.074 -5.468 1.00 0.00 C ATOM 555 C ILE A 38 -10.784 -3.503 -5.770 1.00 0.00 C ATOM 556 O ILE A 38 -10.003 -3.691 -6.709 1.00 0.00 O ATOM 557 CB ILE A 38 -11.901 -1.514 -6.721 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.321 -0.040 -6.509 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.102 -2.369 -7.100 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.346 0.176 -5.404 1.00 0.00 C ATOM 0 H ILE A 38 -9.847 -0.701 -5.932 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.115 -2.109 -4.685 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.155 -1.527 -7.515 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.432 0.548 -6.281 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.728 0.346 -7.444 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.540 -1.992 -8.024 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.783 -3.401 -7.244 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.845 -2.327 -6.303 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.580 1.238 -5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.254 -0.380 -5.636 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -12.938 -0.175 -4.456 1.00 0.00 H new ATOM 572 N PHE A 39 -11.113 -4.427 -4.960 1.00 0.00 N ATOM 573 CA PHE A 39 -10.731 -5.785 -5.129 1.00 0.00 C ATOM 574 C PHE A 39 -11.955 -6.626 -5.357 1.00 0.00 C ATOM 575 O PHE A 39 -13.035 -6.291 -4.890 1.00 0.00 O ATOM 576 CB PHE A 39 -10.033 -6.299 -3.907 1.00 0.00 C ATOM 577 CG PHE A 39 -8.680 -5.766 -3.637 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.564 -6.356 -4.196 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.516 -4.716 -2.781 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.303 -5.902 -3.898 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.265 -4.245 -2.482 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.150 -4.844 -3.038 1.00 0.00 C ATOM 0 H PHE A 39 -11.677 -4.262 -4.126 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.057 -5.843 -5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.661 -6.085 -3.042 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.961 -7.384 -3.988 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.685 -7.186 -4.877 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.382 -4.251 -2.334 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.437 -6.375 -4.338 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.150 -3.406 -1.812 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.162 -4.480 -2.796 1.00 0.00 H new ATOM 592 N ASP A 40 -11.778 -7.695 -6.065 1.00 0.00 N ATOM 593 CA ASP A 40 -12.806 -8.650 -6.340 1.00 0.00 C ATOM 594 C ASP A 40 -12.155 -10.015 -6.413 1.00 0.00 C ATOM 595 O ASP A 40 -10.961 -10.154 -6.107 1.00 0.00 O ATOM 596 CB ASP A 40 -13.540 -8.338 -7.674 1.00 0.00 C ATOM 597 CG ASP A 40 -12.632 -8.293 -8.894 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.010 -9.317 -9.243 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.539 -7.228 -9.532 1.00 0.00 O ATOM 0 H ASP A 40 -10.880 -7.937 -6.484 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.555 -8.614 -5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.310 -9.093 -7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.049 -7.379 -7.579 1.00 0.00 H new ATOM 604 N GLY A 41 -12.890 -10.973 -6.896 1.00 0.00 N ATOM 605 CA GLY A 41 -12.400 -12.318 -6.987 1.00 0.00 C ATOM 606 C GLY A 41 -12.615 -12.846 -8.373 1.00 0.00 C ATOM 607 O GLY A 41 -12.658 -14.055 -8.601 1.00 0.00 O ATOM 0 H GLY A 41 -13.843 -10.846 -7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.339 -12.345 -6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.913 -12.951 -6.263 1.00 0.00 H new ATOM 611 N GLU A 42 -12.769 -11.934 -9.299 1.00 0.00 N ATOM 612 CA GLU A 42 -13.060 -12.248 -10.648 1.00 0.00 C ATOM 613 C GLU A 42 -11.843 -11.964 -11.530 1.00 0.00 C ATOM 614 O GLU A 42 -11.674 -12.551 -12.606 1.00 0.00 O ATOM 615 CB GLU A 42 -14.255 -11.438 -11.046 1.00 0.00 C ATOM 616 CG GLU A 42 -15.460 -11.655 -10.132 1.00 0.00 C ATOM 617 CD GLU A 42 -16.603 -10.735 -10.439 1.00 0.00 C ATOM 618 OE1 GLU A 42 -16.600 -9.591 -9.960 1.00 0.00 O ATOM 619 OE2 GLU A 42 -17.526 -11.143 -11.171 1.00 0.00 O ATOM 0 H GLU A 42 -12.691 -10.933 -9.117 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.287 -13.307 -10.772 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.988 -10.381 -11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.533 -11.691 -12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.797 -12.687 -10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.153 -11.511 -9.096 1.00 0.00 H new ATOM 626 N THR A 43 -11.022 -11.058 -11.061 1.00 0.00 N ATOM 627 CA THR A 43 -9.784 -10.716 -11.648 1.00 0.00 C ATOM 628 C THR A 43 -8.640 -11.301 -10.804 1.00 0.00 C ATOM 629 O THR A 43 -8.732 -11.291 -9.558 1.00 0.00 O ATOM 630 CB THR A 43 -9.691 -9.189 -11.705 1.00 0.00 C ATOM 631 OG1 THR A 43 -10.587 -8.672 -12.691 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.285 -8.672 -11.914 1.00 0.00 C ATOM 0 H THR A 43 -11.224 -10.522 -10.217 1.00 0.00 H new ATOM 0 HA THR A 43 -9.706 -11.123 -12.656 1.00 0.00 H new ATOM 0 HB THR A 43 -9.991 -8.824 -10.723 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.518 -7.695 -12.715 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.299 -7.582 -11.944 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.649 -9.005 -11.094 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.892 -9.056 -12.856 1.00 0.00 H new ATOM 640 N ALA A 44 -7.610 -11.857 -11.466 1.00 0.00 N ATOM 641 CA ALA A 44 -6.435 -12.385 -10.774 1.00 0.00 C ATOM 642 C ALA A 44 -5.805 -11.327 -9.894 1.00 0.00 C ATOM 643 O ALA A 44 -5.820 -10.120 -10.214 1.00 0.00 O ATOM 644 CB ALA A 44 -5.382 -12.954 -11.747 1.00 0.00 C ATOM 0 H ALA A 44 -7.574 -11.949 -12.481 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.787 -13.208 -10.152 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.531 -13.333 -11.181 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.823 -13.766 -12.326 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.047 -12.166 -12.422 1.00 0.00 H new ATOM 650 N VAL A 45 -5.276 -11.788 -8.790 1.00 0.00 N ATOM 651 CA VAL A 45 -4.592 -10.982 -7.801 1.00 0.00 C ATOM 652 C VAL A 45 -3.580 -10.082 -8.456 1.00 0.00 C ATOM 653 O VAL A 45 -3.597 -8.882 -8.258 1.00 0.00 O ATOM 654 CB VAL A 45 -3.797 -11.884 -6.835 1.00 0.00 C ATOM 655 CG1 VAL A 45 -2.984 -11.025 -5.892 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.768 -12.711 -6.036 1.00 0.00 C ATOM 0 H VAL A 45 -5.309 -12.777 -8.541 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.353 -10.404 -7.277 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.128 -12.532 -7.402 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.423 -11.664 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.291 -10.410 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.652 -10.381 -5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.219 -13.354 -5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.427 -12.053 -5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.363 -13.326 -6.711 1.00 0.00 H new ATOM 666 N LYS A 46 -2.742 -10.691 -9.257 1.00 0.00 N ATOM 667 CA LYS A 46 -1.617 -10.021 -9.935 1.00 0.00 C ATOM 668 C LYS A 46 -2.100 -8.849 -10.774 1.00 0.00 C ATOM 669 O LYS A 46 -1.453 -7.846 -10.880 1.00 0.00 O ATOM 670 CB LYS A 46 -0.889 -10.995 -10.826 1.00 0.00 C ATOM 671 CG LYS A 46 -0.565 -12.292 -10.150 1.00 0.00 C ATOM 672 CD LYS A 46 -0.015 -13.283 -11.130 1.00 0.00 C ATOM 673 CE LYS A 46 0.052 -14.648 -10.505 1.00 0.00 C ATOM 674 NZ LYS A 46 0.985 -14.677 -9.349 1.00 0.00 N ATOM 0 H LYS A 46 -2.808 -11.686 -9.472 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.942 -9.649 -9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.499 -11.195 -11.707 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.035 -10.535 -11.176 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.160 -12.121 -9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.462 -12.697 -9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.644 -13.313 -12.020 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.979 -12.973 -11.452 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.943 -14.948 -10.177 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.374 -15.375 -11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.136 -15.661 -9.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.894 -14.256 -9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.578 -14.134 -8.561 1.00 0.00 H new ATOM 688 N ASP A 47 -3.242 -8.986 -11.354 1.00 0.00 N ATOM 689 CA ASP A 47 -3.794 -7.937 -12.143 1.00 0.00 C ATOM 690 C ASP A 47 -4.303 -6.812 -11.292 1.00 0.00 C ATOM 691 O ASP A 47 -4.177 -5.650 -11.653 1.00 0.00 O ATOM 692 CB ASP A 47 -4.821 -8.463 -13.107 1.00 0.00 C ATOM 693 CG ASP A 47 -4.149 -9.109 -14.298 1.00 0.00 C ATOM 694 OD1 ASP A 47 -3.830 -8.386 -15.276 1.00 0.00 O ATOM 695 OD2 ASP A 47 -3.882 -10.324 -14.265 1.00 0.00 O ATOM 0 H ASP A 47 -3.819 -9.825 -11.296 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.993 -7.513 -12.749 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.461 -9.189 -12.605 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.464 -7.649 -13.442 1.00 0.00 H new ATOM 700 N HIS A 48 -4.833 -7.154 -10.123 1.00 0.00 N ATOM 701 CA HIS A 48 -5.191 -6.154 -9.118 1.00 0.00 C ATOM 702 C HIS A 48 -3.883 -5.443 -8.677 1.00 0.00 C ATOM 703 O HIS A 48 -3.853 -4.235 -8.447 1.00 0.00 O ATOM 704 CB HIS A 48 -5.884 -6.791 -7.900 1.00 0.00 C ATOM 705 CG HIS A 48 -7.227 -7.421 -8.113 1.00 0.00 C ATOM 706 ND1 HIS A 48 -8.375 -6.718 -8.358 1.00 0.00 N ATOM 707 CD2 HIS A 48 -7.604 -8.716 -8.057 1.00 0.00 C ATOM 708 CE1 HIS A 48 -9.387 -7.539 -8.435 1.00 0.00 C ATOM 709 NE2 HIS A 48 -8.951 -8.756 -8.254 1.00 0.00 N ATOM 0 H HIS A 48 -5.025 -8.117 -9.846 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.898 -5.444 -9.548 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.217 -7.552 -7.495 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.992 -6.022 -7.135 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.957 -9.564 -7.887 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.414 -7.258 -8.618 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.525 -9.599 -8.259 1.00 0.00 H new ATOM 718 N ILE A 49 -2.839 -6.229 -8.607 1.00 0.00 N ATOM 719 CA ILE A 49 -1.503 -5.798 -8.256 1.00 0.00 C ATOM 720 C ILE A 49 -0.889 -4.894 -9.316 1.00 0.00 C ATOM 721 O ILE A 49 -0.302 -3.894 -8.962 1.00 0.00 O ATOM 722 CB ILE A 49 -0.628 -6.995 -7.848 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.169 -7.585 -6.553 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.849 -6.584 -7.694 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.318 -8.672 -5.995 1.00 0.00 C ATOM 0 H ILE A 49 -2.895 -7.229 -8.800 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.567 -5.164 -7.371 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.667 -7.749 -8.634 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.262 -6.791 -5.812 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.171 -7.974 -6.731 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.440 -7.453 -7.405 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.218 -6.193 -8.642 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.935 -5.815 -6.926 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.763 -9.046 -5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.245 -9.484 -6.718 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.678 -8.283 -5.785 1.00 0.00 H new ATOM 737 N LYS A 50 -1.062 -5.203 -10.609 1.00 0.00 N ATOM 738 CA LYS A 50 -0.608 -4.286 -11.667 1.00 0.00 C ATOM 739 C LYS A 50 -1.237 -2.906 -11.489 1.00 0.00 C ATOM 740 O LYS A 50 -0.573 -1.883 -11.678 1.00 0.00 O ATOM 741 CB LYS A 50 -0.922 -4.782 -13.081 1.00 0.00 C ATOM 742 CG LYS A 50 -0.245 -6.032 -13.541 1.00 0.00 C ATOM 743 CD LYS A 50 -0.494 -6.171 -15.033 1.00 0.00 C ATOM 744 CE LYS A 50 0.035 -7.455 -15.606 1.00 0.00 C ATOM 745 NZ LYS A 50 -0.720 -8.646 -15.143 1.00 0.00 N ATOM 0 H LYS A 50 -1.502 -6.060 -10.944 1.00 0.00 H new ATOM 0 HA LYS A 50 0.476 -4.235 -11.564 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.999 -4.937 -13.151 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.669 -3.986 -13.781 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.824 -5.986 -13.335 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.636 -6.898 -13.006 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.566 -6.111 -15.223 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.031 -5.332 -15.552 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.005 -7.406 -16.694 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.084 -7.566 -15.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.464 -9.468 -15.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.485 -8.841 -14.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.741 -8.465 -15.228 1.00 0.00 H new ATOM 759 N VAL A 51 -2.506 -2.891 -11.093 1.00 0.00 N ATOM 760 CA VAL A 51 -3.228 -1.662 -10.860 1.00 0.00 C ATOM 761 C VAL A 51 -2.643 -0.941 -9.677 1.00 0.00 C ATOM 762 O VAL A 51 -2.316 0.242 -9.771 1.00 0.00 O ATOM 763 CB VAL A 51 -4.724 -1.876 -10.597 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.395 -0.556 -10.327 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.406 -2.611 -11.718 1.00 0.00 C ATOM 0 H VAL A 51 -3.055 -3.734 -10.927 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.129 -1.076 -11.774 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.815 -2.508 -9.714 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.457 -0.719 -10.142 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.941 -0.089 -9.453 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.274 0.097 -11.191 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.463 -2.736 -11.481 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.306 -2.040 -12.641 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.944 -3.590 -11.845 1.00 0.00 H new ATOM 775 N LEU A 52 -2.538 -1.633 -8.565 1.00 0.00 N ATOM 776 CA LEU A 52 -1.938 -1.088 -7.370 1.00 0.00 C ATOM 777 C LEU A 52 -0.575 -0.542 -7.652 1.00 0.00 C ATOM 778 O LEU A 52 -0.323 0.600 -7.336 1.00 0.00 O ATOM 779 CB LEU A 52 -1.875 -2.163 -6.318 1.00 0.00 C ATOM 780 CG LEU A 52 -3.216 -2.571 -5.807 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.150 -3.948 -5.253 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.677 -1.597 -4.766 1.00 0.00 C ATOM 0 H LEU A 52 -2.868 -2.593 -8.464 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.550 -0.262 -7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.371 -3.036 -6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.269 -1.810 -5.484 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.934 -2.567 -6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.133 -4.238 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.838 -4.640 -6.035 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.430 -3.977 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.657 -1.898 -4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.965 -1.582 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.745 -0.601 -5.204 1.00 0.00 H new ATOM 794 N LEU A 53 0.276 -1.333 -8.300 1.00 0.00 N ATOM 795 CA LEU A 53 1.605 -0.909 -8.631 1.00 0.00 C ATOM 796 C LEU A 53 1.555 0.348 -9.452 1.00 0.00 C ATOM 797 O LEU A 53 2.193 1.308 -9.115 1.00 0.00 O ATOM 798 CB LEU A 53 2.355 -2.010 -9.357 1.00 0.00 C ATOM 799 CG LEU A 53 2.579 -3.279 -8.571 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.320 -4.255 -9.417 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.328 -3.003 -7.284 1.00 0.00 C ATOM 0 H LEU A 53 0.051 -2.280 -8.603 1.00 0.00 H new ATOM 0 HA LEU A 53 2.146 -0.695 -7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.807 -2.259 -10.266 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.325 -1.620 -9.667 1.00 0.00 H new ATOM 0 HG LEU A 53 1.612 -3.700 -8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.484 -5.174 -8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.738 -4.477 -10.311 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.281 -3.830 -9.706 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.474 -3.937 -6.740 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.298 -2.562 -7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.752 -2.311 -6.669 1.00 0.00 H new ATOM 813 N THR A 54 0.743 0.354 -10.479 1.00 0.00 N ATOM 814 CA THR A 54 0.573 1.486 -11.298 1.00 0.00 C ATOM 815 C THR A 54 0.074 2.730 -10.540 1.00 0.00 C ATOM 816 O THR A 54 0.554 3.849 -10.768 1.00 0.00 O ATOM 817 CB THR A 54 -0.300 1.114 -12.505 1.00 0.00 C ATOM 818 OG1 THR A 54 0.360 0.165 -13.345 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.793 2.276 -13.285 1.00 0.00 C ATOM 0 H THR A 54 0.181 -0.450 -10.758 1.00 0.00 H new ATOM 0 HA THR A 54 1.554 1.789 -11.664 1.00 0.00 H new ATOM 0 HB THR A 54 -1.194 0.652 -12.086 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.147 -0.743 -13.043 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.401 1.923 -14.118 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.396 2.917 -12.642 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.055 2.843 -13.669 1.00 0.00 H new ATOM 827 N HIS A 55 -0.818 2.523 -9.606 1.00 0.00 N ATOM 828 CA HIS A 55 -1.341 3.592 -8.788 1.00 0.00 C ATOM 829 C HIS A 55 -0.306 4.068 -7.737 1.00 0.00 C ATOM 830 O HIS A 55 -0.291 5.227 -7.363 1.00 0.00 O ATOM 831 CB HIS A 55 -2.678 3.143 -8.182 1.00 0.00 C ATOM 832 CG HIS A 55 -3.397 4.179 -7.391 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.370 4.992 -7.917 1.00 0.00 N ATOM 834 CD2 HIS A 55 -3.301 4.502 -6.093 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.839 5.774 -6.972 1.00 0.00 C ATOM 836 NE2 HIS A 55 -4.205 5.501 -5.854 1.00 0.00 N ATOM 0 H HIS A 55 -1.205 1.605 -9.389 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.534 4.472 -9.402 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.330 2.808 -8.989 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.496 2.281 -7.541 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.634 4.056 -5.370 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.614 6.516 -7.093 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -4.361 5.958 -4.956 1.00 0.00 H new ATOM 845 N PHE A 56 0.539 3.156 -7.270 1.00 0.00 N ATOM 846 CA PHE A 56 1.641 3.476 -6.366 1.00 0.00 C ATOM 847 C PHE A 56 2.839 4.011 -7.133 1.00 0.00 C ATOM 848 O PHE A 56 3.820 4.468 -6.537 1.00 0.00 O ATOM 849 CB PHE A 56 2.052 2.249 -5.580 1.00 0.00 C ATOM 850 CG PHE A 56 1.034 1.778 -4.592 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.488 2.654 -3.676 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.641 0.457 -4.569 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.438 2.217 -2.751 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.281 0.006 -3.649 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.821 0.886 -2.738 1.00 0.00 C ATOM 0 H PHE A 56 0.479 2.166 -7.509 1.00 0.00 H new ATOM 0 HA PHE A 56 1.293 4.247 -5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.264 1.439 -6.278 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.980 2.465 -5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.788 3.691 -3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.062 -0.235 -5.283 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.863 2.910 -2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.578 -1.032 -3.643 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.543 0.539 -2.014 1.00 0.00 H new ATOM 865 N LYS A 57 2.736 3.923 -8.450 1.00 0.00 N ATOM 866 CA LYS A 57 3.732 4.390 -9.417 1.00 0.00 C ATOM 867 C LYS A 57 4.947 3.465 -9.476 1.00 0.00 C ATOM 868 O LYS A 57 6.080 3.895 -9.678 1.00 0.00 O ATOM 869 CB LYS A 57 4.099 5.861 -9.179 1.00 0.00 C ATOM 870 CG LYS A 57 2.929 6.806 -9.442 1.00 0.00 C ATOM 871 CD LYS A 57 3.264 8.266 -9.167 1.00 0.00 C ATOM 872 CE LYS A 57 3.577 8.519 -7.698 1.00 0.00 C ATOM 873 NZ LYS A 57 3.740 9.958 -7.417 1.00 0.00 N ATOM 0 H LYS A 57 1.921 3.506 -8.900 1.00 0.00 H new ATOM 0 HA LYS A 57 3.280 4.346 -10.408 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.438 5.986 -8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.934 6.133 -9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.612 6.702 -10.480 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.084 6.510 -8.820 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.119 8.561 -9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.426 8.893 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.775 8.116 -7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.489 7.989 -7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.952 10.093 -6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.522 10.337 -7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.861 10.460 -7.656 1.00 0.00 H new ATOM 887 N ILE A 58 4.673 2.191 -9.354 1.00 0.00 N ATOM 888 CA ILE A 58 5.618 1.150 -9.452 1.00 0.00 C ATOM 889 C ILE A 58 5.345 0.407 -10.747 1.00 0.00 C ATOM 890 O ILE A 58 4.187 0.125 -11.046 1.00 0.00 O ATOM 891 CB ILE A 58 5.417 0.178 -8.303 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.571 0.938 -7.012 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.425 -0.981 -8.383 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.195 0.139 -5.851 1.00 0.00 C ATOM 0 H ILE A 58 3.728 1.852 -9.174 1.00 0.00 H new ATOM 0 HA ILE A 58 6.630 1.553 -9.424 1.00 0.00 H new ATOM 0 HB ILE A 58 4.420 -0.260 -8.357 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.606 1.264 -6.906 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.955 1.837 -7.046 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.261 -1.664 -7.549 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.290 -1.516 -9.323 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.439 -0.585 -8.334 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.323 0.731 -4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.152 -0.165 -5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.828 -0.747 -5.798 1.00 0.00 H new ATOM 906 N PRO A 59 6.357 0.148 -11.564 1.00 0.00 N ATOM 907 CA PRO A 59 6.204 -0.657 -12.777 1.00 0.00 C ATOM 908 C PRO A 59 5.556 -1.986 -12.492 1.00 0.00 C ATOM 909 O PRO A 59 5.923 -2.692 -11.535 1.00 0.00 O ATOM 910 CB PRO A 59 7.638 -0.882 -13.211 1.00 0.00 C ATOM 911 CG PRO A 59 8.356 0.303 -12.725 1.00 0.00 C ATOM 912 CD PRO A 59 7.729 0.648 -11.411 1.00 0.00 C ATOM 0 HA PRO A 59 5.574 -0.168 -13.520 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.045 -1.797 -12.781 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.715 -0.977 -14.294 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.420 0.095 -12.608 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.268 1.130 -13.430 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.244 0.168 -10.579 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.750 1.721 -11.222 1.00 0.00 H new ATOM 920 N VAL A 60 4.630 -2.346 -13.341 1.00 0.00 N ATOM 921 CA VAL A 60 3.896 -3.571 -13.231 1.00 0.00 C ATOM 922 C VAL A 60 4.760 -4.783 -13.382 1.00 0.00 C ATOM 923 O VAL A 60 4.324 -5.868 -13.121 1.00 0.00 O ATOM 924 CB VAL A 60 2.782 -3.631 -14.293 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.775 -2.549 -14.041 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.328 -3.525 -15.685 1.00 0.00 C ATOM 0 H VAL A 60 4.362 -1.780 -14.146 1.00 0.00 H new ATOM 0 HA VAL A 60 3.471 -3.578 -12.227 1.00 0.00 H new ATOM 0 HB VAL A 60 2.296 -4.603 -14.210 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.991 -2.599 -14.796 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.336 -2.684 -13.053 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.265 -1.577 -14.090 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.508 -3.572 -16.402 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.855 -2.578 -15.798 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.018 -4.348 -15.869 1.00 0.00 H new ATOM 936 N ASP A 61 6.014 -4.599 -13.789 1.00 0.00 N ATOM 937 CA ASP A 61 6.901 -5.739 -13.957 1.00 0.00 C ATOM 938 C ASP A 61 7.255 -6.345 -12.612 1.00 0.00 C ATOM 939 O ASP A 61 7.727 -7.476 -12.538 1.00 0.00 O ATOM 940 CB ASP A 61 8.184 -5.422 -14.758 1.00 0.00 C ATOM 941 CG ASP A 61 9.230 -4.608 -14.016 1.00 0.00 C ATOM 942 OD1 ASP A 61 9.201 -3.370 -14.079 1.00 0.00 O ATOM 943 OD2 ASP A 61 10.137 -5.198 -13.382 1.00 0.00 O ATOM 0 H ASP A 61 6.428 -3.692 -14.003 1.00 0.00 H new ATOM 0 HA ASP A 61 6.344 -6.463 -14.551 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.636 -6.362 -15.074 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.903 -4.883 -15.663 1.00 0.00 H new ATOM 948 N LYS A 62 7.009 -5.601 -11.534 1.00 0.00 N ATOM 949 CA LYS A 62 7.279 -6.093 -10.214 1.00 0.00 C ATOM 950 C LYS A 62 6.121 -6.920 -9.662 1.00 0.00 C ATOM 951 O LYS A 62 6.224 -7.462 -8.582 1.00 0.00 O ATOM 952 CB LYS A 62 7.652 -4.980 -9.234 1.00 0.00 C ATOM 953 CG LYS A 62 9.019 -4.345 -9.433 1.00 0.00 C ATOM 954 CD LYS A 62 8.974 -3.264 -10.474 1.00 0.00 C ATOM 955 CE LYS A 62 10.361 -2.732 -10.804 1.00 0.00 C ATOM 956 NZ LYS A 62 11.235 -3.788 -11.360 1.00 0.00 N ATOM 0 H LYS A 62 6.623 -4.657 -11.565 1.00 0.00 H new ATOM 0 HA LYS A 62 8.146 -6.746 -10.315 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.897 -4.197 -9.300 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.605 -5.383 -8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.369 -3.929 -8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.737 -5.109 -9.730 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.510 -3.653 -11.380 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.347 -2.446 -10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.276 -1.915 -11.521 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.816 -2.320 -9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.922 -3.361 -12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.742 -4.262 -10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.656 -4.484 -11.872 1.00 0.00 H new ATOM 970 N VAL A 63 5.024 -6.988 -10.420 1.00 0.00 N ATOM 971 CA VAL A 63 3.794 -7.779 -10.113 1.00 0.00 C ATOM 972 C VAL A 63 4.164 -9.226 -9.735 1.00 0.00 C ATOM 973 O VAL A 63 3.494 -9.883 -8.938 1.00 0.00 O ATOM 974 CB VAL A 63 2.936 -7.734 -11.413 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.299 -8.718 -12.512 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.499 -7.843 -11.079 1.00 0.00 C ATOM 0 H VAL A 63 4.949 -6.480 -11.301 1.00 0.00 H new ATOM 0 HA VAL A 63 3.246 -7.372 -9.264 1.00 0.00 H new ATOM 0 HB VAL A 63 3.171 -6.763 -11.849 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.626 -8.582 -13.359 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.326 -8.543 -12.832 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.205 -9.736 -12.134 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.909 -7.810 -11.995 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.316 -8.785 -10.563 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.212 -7.014 -10.433 1.00 0.00 H new ATOM 986 N SER A 64 5.258 -9.667 -10.319 1.00 0.00 N ATOM 987 CA SER A 64 5.898 -10.929 -10.049 1.00 0.00 C ATOM 988 C SER A 64 6.238 -11.066 -8.557 1.00 0.00 C ATOM 989 O SER A 64 5.915 -12.066 -7.890 1.00 0.00 O ATOM 990 CB SER A 64 7.243 -10.915 -10.785 1.00 0.00 C ATOM 991 OG SER A 64 7.910 -9.664 -10.605 1.00 0.00 O ATOM 0 H SER A 64 5.747 -9.124 -11.031 1.00 0.00 H new ATOM 0 HA SER A 64 5.234 -11.737 -10.357 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.873 -11.724 -10.415 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.082 -11.096 -11.848 1.00 0.00 H new ATOM 0 HG SER A 64 7.730 -9.084 -11.374 1.00 0.00 H new ATOM 997 N SER A 65 6.887 -10.038 -8.053 1.00 0.00 N ATOM 998 CA SER A 65 7.431 -9.997 -6.748 1.00 0.00 C ATOM 999 C SER A 65 6.527 -9.272 -5.772 1.00 0.00 C ATOM 1000 O SER A 65 6.941 -8.953 -4.680 1.00 0.00 O ATOM 1001 CB SER A 65 8.801 -9.323 -6.775 1.00 0.00 C ATOM 1002 OG SER A 65 9.669 -9.950 -7.728 1.00 0.00 O ATOM 0 H SER A 65 7.047 -9.179 -8.580 1.00 0.00 H new ATOM 0 HA SER A 65 7.528 -11.027 -6.406 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.685 -8.268 -7.024 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.251 -9.369 -5.784 1.00 0.00 H new ATOM 0 HG SER A 65 10.538 -9.498 -7.726 1.00 0.00 H new ATOM 1008 N TYR A 66 5.312 -9.024 -6.143 1.00 0.00 N ATOM 1009 CA TYR A 66 4.400 -8.370 -5.259 1.00 0.00 C ATOM 1010 C TYR A 66 3.281 -9.261 -4.866 1.00 0.00 C ATOM 1011 O TYR A 66 2.809 -10.082 -5.664 1.00 0.00 O ATOM 1012 CB TYR A 66 3.899 -7.058 -5.811 1.00 0.00 C ATOM 1013 CG TYR A 66 4.803 -5.907 -5.497 1.00 0.00 C ATOM 1014 CD1 TYR A 66 4.679 -5.259 -4.301 1.00 0.00 C ATOM 1015 CD2 TYR A 66 5.760 -5.469 -6.381 1.00 0.00 C ATOM 1016 CE1 TYR A 66 5.464 -4.201 -3.976 1.00 0.00 C ATOM 1017 CE2 TYR A 66 6.572 -4.400 -6.075 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.410 -3.763 -4.861 1.00 0.00 C ATOM 1019 OH TYR A 66 7.197 -2.700 -4.528 1.00 0.00 O ATOM 0 H TYR A 66 4.926 -9.265 -7.056 1.00 0.00 H new ATOM 0 HA TYR A 66 4.962 -8.133 -4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.791 -7.143 -6.892 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.908 -6.855 -5.406 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.936 -5.598 -3.595 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.877 -5.971 -7.330 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.342 -3.707 -3.023 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.324 -4.065 -6.774 1.00 0.00 H new ATOM 0 HH TYR A 66 7.102 -2.509 -3.571 1.00 0.00 H new ATOM 1029 N ALA A 67 2.887 -9.135 -3.628 1.00 0.00 N ATOM 1030 CA ALA A 67 1.853 -9.927 -3.078 1.00 0.00 C ATOM 1031 C ALA A 67 1.204 -9.193 -1.945 1.00 0.00 C ATOM 1032 O ALA A 67 1.849 -8.403 -1.245 1.00 0.00 O ATOM 1033 CB ALA A 67 2.403 -11.242 -2.585 1.00 0.00 C ATOM 0 H ALA A 67 3.290 -8.465 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 67 1.113 -10.126 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.594 -11.840 -2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.858 -11.781 -3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.155 -11.057 -1.817 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.061 -9.421 -1.810 1.00 0.00 N ATOM 1040 CA LEU A 68 -0.838 -8.890 -0.745 1.00 0.00 C ATOM 1041 C LEU A 68 -0.562 -9.715 0.494 1.00 0.00 C ATOM 1042 O LEU A 68 -0.425 -10.935 0.400 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.317 -9.013 -1.130 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.728 -8.305 -2.435 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.164 -8.626 -2.769 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.539 -6.791 -2.328 1.00 0.00 C ATOM 0 H LEU A 68 -0.596 -9.999 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.592 -7.845 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.564 -10.071 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.920 -8.612 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.083 -8.670 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.444 -8.121 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.276 -9.703 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.810 -8.287 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.838 -6.320 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.154 -6.404 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.491 -6.568 -2.128 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.424 -9.082 1.606 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.189 -9.771 2.857 1.00 0.00 C ATOM 1060 C GLN A 69 -1.292 -9.399 3.830 1.00 0.00 C ATOM 1061 O GLN A 69 -1.806 -8.264 3.791 1.00 0.00 O ATOM 1062 CB GLN A 69 1.171 -9.354 3.466 1.00 0.00 C ATOM 1063 CG GLN A 69 1.536 -10.127 4.730 1.00 0.00 C ATOM 1064 CD GLN A 69 2.696 -9.544 5.511 1.00 0.00 C ATOM 1065 OE1 GLN A 69 2.926 -8.338 5.527 1.00 0.00 O ATOM 1066 NE2 GLN A 69 3.449 -10.397 6.146 1.00 0.00 N ATOM 0 H GLN A 69 -0.469 -8.066 1.689 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.178 -10.845 2.672 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.953 -9.501 2.722 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.146 -8.289 3.696 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.662 -10.169 5.380 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.779 -11.153 4.455 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.231 -11.393 6.113 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.256 -10.069 6.676 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.680 -10.345 4.654 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.620 -10.100 5.714 1.00 0.00 C ATOM 1077 C ASN A 70 -1.883 -9.385 6.836 1.00 0.00 C ATOM 1078 O ASN A 70 -0.826 -9.847 7.264 1.00 0.00 O ATOM 1079 CB ASN A 70 -3.170 -11.404 6.267 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.260 -11.165 7.309 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -3.977 -10.998 8.498 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.491 -11.150 6.886 1.00 0.00 N ATOM 0 H ASN A 70 -1.349 -11.309 4.604 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.447 -9.505 5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.573 -12.003 5.451 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.360 -11.979 6.715 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.255 -10.997 7.545 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.692 -11.291 5.896 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.417 -8.280 7.347 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.750 -7.488 8.386 1.00 0.00 C ATOM 1091 C PRO A 71 -1.627 -8.180 9.747 1.00 0.00 C ATOM 1092 O PRO A 71 -0.814 -7.767 10.576 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.641 -6.260 8.539 1.00 0.00 C ATOM 1094 CG PRO A 71 -3.539 -6.259 7.354 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.702 -7.680 6.950 1.00 0.00 C ATOM 0 HA PRO A 71 -0.722 -7.288 8.085 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.215 -6.307 9.464 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.046 -5.348 8.579 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.503 -5.811 7.597 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.110 -5.671 6.542 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.543 -8.151 7.458 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.881 -7.778 5.879 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.414 -9.204 10.001 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.394 -9.799 11.300 1.00 0.00 C ATOM 1105 C PHE A 72 -1.798 -11.168 11.332 1.00 0.00 C ATOM 1106 O PHE A 72 -1.092 -11.530 12.273 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.795 -9.827 11.895 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.334 -8.450 12.158 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -4.048 -7.797 13.343 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -5.105 -7.800 11.206 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -4.519 -6.521 13.576 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -5.580 -6.528 11.434 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.287 -5.887 12.620 1.00 0.00 C ATOM 0 H PHE A 72 -3.059 -9.627 9.334 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.743 -9.168 11.905 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.465 -10.352 11.215 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.780 -10.392 12.827 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.450 -8.291 14.094 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.335 -8.297 10.275 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.287 -6.020 14.504 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.181 -6.033 10.686 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.659 -4.889 12.801 1.00 0.00 H new ATOM 1123 N THR A 73 -2.090 -11.935 10.343 1.00 0.00 N ATOM 1124 CA THR A 73 -1.600 -13.293 10.269 1.00 0.00 C ATOM 1125 C THR A 73 -0.264 -13.329 9.543 1.00 0.00 C ATOM 1126 O THR A 73 0.490 -14.303 9.646 1.00 0.00 O ATOM 1127 CB THR A 73 -2.608 -14.171 9.544 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.696 -13.748 8.174 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.978 -14.044 10.184 1.00 0.00 C ATOM 0 H THR A 73 -2.674 -11.653 9.556 1.00 0.00 H new ATOM 0 HA THR A 73 -1.462 -13.672 11.281 1.00 0.00 H new ATOM 0 HB THR A 73 -2.281 -15.209 9.604 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.343 -14.310 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.688 -14.679 9.653 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.923 -14.355 11.227 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.309 -13.007 10.132 1.00 0.00 H new ATOM 1137 N LEU A 74 0.009 -12.252 8.810 1.00 0.00 N ATOM 1138 CA LEU A 74 1.232 -12.063 8.043 1.00 0.00 C ATOM 1139 C LEU A 74 1.310 -13.006 6.861 1.00 0.00 C ATOM 1140 O LEU A 74 2.362 -13.138 6.228 1.00 0.00 O ATOM 1141 CB LEU A 74 2.489 -12.142 8.914 1.00 0.00 C ATOM 1142 CG LEU A 74 2.537 -11.207 10.095 1.00 0.00 C ATOM 1143 CD1 LEU A 74 3.950 -11.041 10.563 1.00 0.00 C ATOM 1144 CD2 LEU A 74 1.867 -9.873 9.813 1.00 0.00 C ATOM 0 H LEU A 74 -0.635 -11.465 8.733 1.00 0.00 H new ATOM 0 HA LEU A 74 1.191 -11.049 7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.589 -13.164 9.281 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.356 -11.944 8.284 1.00 0.00 H new ATOM 0 HG LEU A 74 1.959 -11.659 10.901 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.973 -10.364 11.417 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.352 -12.010 10.858 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.555 -10.628 9.755 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.931 -9.239 10.698 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.369 -9.383 8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.820 -10.038 9.560 1.00 0.00 H new ATOM 1156 N ALA A 75 0.185 -13.594 6.520 1.00 0.00 N ATOM 1157 CA ALA A 75 0.114 -14.513 5.417 1.00 0.00 C ATOM 1158 C ALA A 75 0.068 -13.779 4.101 1.00 0.00 C ATOM 1159 O ALA A 75 -0.626 -12.777 3.965 1.00 0.00 O ATOM 1160 CB ALA A 75 -1.104 -15.390 5.549 1.00 0.00 C ATOM 0 H ALA A 75 -0.702 -13.446 7.001 1.00 0.00 H new ATOM 0 HA ALA A 75 1.011 -15.131 5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.147 -16.082 4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.047 -15.954 6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.000 -14.770 5.555 1.00 0.00 H new ATOM 1166 N TYR A 76 0.796 -14.272 3.156 1.00 0.00 N ATOM 1167 CA TYR A 76 0.815 -13.708 1.836 1.00 0.00 C ATOM 1168 C TYR A 76 -0.231 -14.354 0.980 1.00 0.00 C ATOM 1169 O TYR A 76 -0.662 -15.498 1.241 1.00 0.00 O ATOM 1170 CB TYR A 76 2.167 -13.860 1.181 1.00 0.00 C ATOM 1171 CG TYR A 76 3.161 -12.776 1.490 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.494 -12.422 2.784 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.803 -12.147 0.458 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.456 -11.463 3.028 1.00 0.00 C ATOM 1175 CE2 TYR A 76 4.753 -11.181 0.678 1.00 0.00 C ATOM 1176 CZ TYR A 76 5.083 -10.844 1.964 1.00 0.00 C ATOM 1177 OH TYR A 76 6.060 -9.909 2.191 1.00 0.00 O ATOM 0 H TYR A 76 1.402 -15.084 3.273 1.00 0.00 H new ATOM 0 HA TYR A 76 0.603 -12.643 1.935 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.593 -14.816 1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.025 -13.902 0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.996 -12.901 3.614 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.555 -12.418 -0.558 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.716 -11.199 4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.236 -10.691 -0.155 1.00 0.00 H new ATOM 0 HH TYR A 76 6.504 -9.688 1.346 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.636 -13.664 -0.034 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.639 -14.160 -0.920 1.00 0.00 C ATOM 1189 C VAL A 77 -1.041 -14.645 -2.243 1.00 0.00 C ATOM 1190 O VAL A 77 -0.948 -13.908 -3.233 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.745 -13.125 -1.207 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -3.774 -13.780 -2.074 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.384 -12.624 0.086 1.00 0.00 C ATOM 0 H VAL A 77 -0.281 -12.738 -0.273 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.092 -15.006 -0.402 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.314 -12.259 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.571 -13.069 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.311 -14.105 -3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.191 -14.643 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.160 -11.896 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.826 -13.464 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.623 -12.155 0.710 1.00 0.00 H new ATOM 1203 N GLU A 78 -0.468 -15.813 -2.176 1.00 0.00 N ATOM 1204 CA GLU A 78 0.028 -16.586 -3.332 1.00 0.00 C ATOM 1205 C GLU A 78 -1.053 -17.124 -4.220 1.00 0.00 C ATOM 1206 O GLU A 78 -0.790 -17.816 -5.217 1.00 0.00 O ATOM 1207 CB GLU A 78 0.862 -17.724 -2.820 1.00 0.00 C ATOM 1208 CG GLU A 78 2.169 -17.262 -2.197 1.00 0.00 C ATOM 1209 CD GLU A 78 3.030 -16.473 -3.172 1.00 0.00 C ATOM 1210 OE1 GLU A 78 2.885 -15.229 -3.250 1.00 0.00 O ATOM 1211 OE2 GLU A 78 3.893 -17.076 -3.856 1.00 0.00 O ATOM 0 H GLU A 78 -0.317 -16.292 -1.288 1.00 0.00 H new ATOM 0 HA GLU A 78 0.609 -15.899 -3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.290 -18.284 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.078 -18.408 -3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.954 -16.645 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.727 -18.130 -1.844 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.246 -16.788 -3.884 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.384 -17.157 -4.614 1.00 0.00 C ATOM 1220 C ASP A 79 -3.391 -16.443 -5.924 1.00 0.00 C ATOM 1221 O ASP A 79 -2.784 -15.372 -6.086 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.657 -16.776 -3.881 1.00 0.00 C ATOM 1223 CG ASP A 79 -4.844 -17.483 -2.556 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -4.293 -17.033 -1.534 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -5.565 -18.514 -2.514 1.00 0.00 O ATOM 0 H ASP A 79 -2.455 -16.226 -3.059 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.350 -18.238 -4.751 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.656 -15.700 -3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.511 -16.996 -4.521 1.00 0.00 H new ATOM 1230 N SER A 80 -4.038 -17.028 -6.842 1.00 0.00 N ATOM 1231 CA SER A 80 -4.186 -16.487 -8.132 1.00 0.00 C ATOM 1232 C SER A 80 -5.316 -15.500 -8.144 1.00 0.00 C ATOM 1233 O SER A 80 -5.255 -14.468 -8.794 1.00 0.00 O ATOM 1234 CB SER A 80 -4.459 -17.596 -9.081 1.00 0.00 C ATOM 1235 OG SER A 80 -3.394 -18.536 -9.094 1.00 0.00 O ATOM 0 H SER A 80 -4.498 -17.930 -6.717 1.00 0.00 H new ATOM 0 HA SER A 80 -3.274 -15.968 -8.428 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.386 -18.097 -8.802 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.604 -17.193 -10.083 1.00 0.00 H new ATOM 0 HG SER A 80 -3.601 -19.256 -9.726 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.330 -15.821 -7.408 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.490 -15.034 -7.277 1.00 0.00 C ATOM 1243 C PHE A 81 -7.813 -14.865 -5.820 1.00 0.00 C ATOM 1244 O PHE A 81 -7.456 -15.697 -4.987 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.656 -15.689 -7.970 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.638 -15.628 -9.461 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.742 -16.382 -10.179 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -9.513 -14.808 -10.138 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.707 -16.326 -11.545 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -9.487 -14.745 -11.512 1.00 0.00 C ATOM 1251 CZ PHE A 81 -8.582 -15.504 -12.217 1.00 0.00 C ATOM 0 H PHE A 81 -6.363 -16.681 -6.861 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.308 -14.063 -7.737 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.694 -16.736 -7.668 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.575 -15.222 -7.616 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.054 -17.030 -9.656 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -10.224 -14.211 -9.587 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.995 -16.925 -12.094 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -10.176 -14.100 -12.037 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.558 -15.455 -13.296 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.465 -13.798 -5.533 1.00 0.00 N ATOM 1262 CA LEU A 82 -8.927 -13.489 -4.218 1.00 0.00 C ATOM 1263 C LEU A 82 -10.245 -14.136 -3.999 1.00 0.00 C ATOM 1264 O LEU A 82 -11.034 -14.304 -4.934 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.061 -11.993 -4.078 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.754 -11.280 -3.778 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -7.960 -9.791 -3.644 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.138 -11.867 -2.509 1.00 0.00 C ATOM 0 H LEU A 82 -8.703 -13.088 -6.226 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.217 -13.858 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.480 -11.589 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.773 -11.775 -3.282 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.068 -11.434 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.006 -9.310 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.365 -9.395 -4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.658 -9.592 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.200 -11.357 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.826 -11.733 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.948 -12.930 -2.655 1.00 0.00 H new ATOM 1280 N THR A 83 -10.477 -14.522 -2.807 1.00 0.00 N ATOM 1281 CA THR A 83 -11.704 -15.107 -2.459 1.00 0.00 C ATOM 1282 C THR A 83 -12.564 -14.039 -1.816 1.00 0.00 C ATOM 1283 O THR A 83 -12.021 -13.026 -1.340 1.00 0.00 O ATOM 1284 CB THR A 83 -11.485 -16.287 -1.485 1.00 0.00 C ATOM 1285 OG1 THR A 83 -10.736 -15.837 -0.345 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.730 -17.416 -2.166 1.00 0.00 C ATOM 0 H THR A 83 -9.812 -14.439 -2.038 1.00 0.00 H new ATOM 0 HA THR A 83 -12.198 -15.502 -3.347 1.00 0.00 H new ATOM 0 HB THR A 83 -12.460 -16.658 -1.168 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.599 -16.585 0.273 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.587 -18.235 -1.461 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.301 -17.770 -3.024 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.759 -17.053 -2.502 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.899 -14.205 -1.808 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.794 -13.279 -1.109 1.00 0.00 C ATOM 1296 C PRO A 84 -14.405 -13.213 0.362 1.00 0.00 C ATOM 1297 O PRO A 84 -14.451 -12.158 0.977 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.177 -13.902 -1.292 1.00 0.00 C ATOM 1299 CG PRO A 84 -16.051 -14.765 -2.499 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.645 -15.280 -2.493 1.00 0.00 C ATOM 0 HA PRO A 84 -14.754 -12.258 -1.487 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.467 -14.485 -0.418 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.940 -13.136 -1.432 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.767 -15.586 -2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.255 -14.198 -3.407 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.565 -16.228 -1.962 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.273 -15.449 -3.504 1.00 0.00 H new ATOM 1308 N GLU A 85 -13.960 -14.347 0.893 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.460 -14.431 2.241 1.00 0.00 C ATOM 1310 C GLU A 85 -12.251 -13.542 2.438 1.00 0.00 C ATOM 1311 O GLU A 85 -12.185 -12.818 3.412 1.00 0.00 O ATOM 1312 CB GLU A 85 -13.131 -15.857 2.599 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.333 -16.758 2.669 1.00 0.00 C ATOM 1314 CD GLU A 85 -13.950 -18.182 2.922 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -13.447 -18.494 4.026 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -14.146 -19.032 2.032 1.00 0.00 O ATOM 0 H GLU A 85 -13.940 -15.233 0.389 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.246 -14.078 2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.433 -16.255 1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.621 -15.872 3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.998 -16.415 3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.890 -16.693 1.735 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.311 -13.582 1.502 1.00 0.00 N ATOM 1324 CA ARG A 86 -10.141 -12.731 1.575 1.00 0.00 C ATOM 1325 C ARG A 86 -10.487 -11.287 1.551 1.00 0.00 C ATOM 1326 O ARG A 86 -9.890 -10.507 2.267 1.00 0.00 O ATOM 1327 CB ARG A 86 -9.092 -13.057 0.532 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.093 -14.056 0.998 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.277 -13.446 2.122 1.00 0.00 C ATOM 1330 NE ARG A 86 -6.501 -14.419 2.841 1.00 0.00 N ATOM 1331 CZ ARG A 86 -6.297 -14.396 4.164 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -6.927 -13.485 4.935 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -5.499 -15.293 4.720 1.00 0.00 N ATOM 0 H ARG A 86 -11.340 -14.195 0.687 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.694 -12.949 2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.585 -13.436 -0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.575 -12.141 0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.596 -14.959 1.344 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.441 -14.350 0.175 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.610 -12.689 1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.947 -12.938 2.816 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.077 -15.178 2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.562 -12.809 4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.768 -13.472 5.942 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.042 -15.998 4.141 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.340 -15.280 5.728 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.441 -10.947 0.745 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.908 -9.603 0.651 1.00 0.00 C ATOM 1349 C LEU A 87 -12.545 -9.184 1.973 1.00 0.00 C ATOM 1350 O LEU A 87 -12.221 -8.143 2.522 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.888 -9.477 -0.496 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.380 -9.849 -1.867 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.458 -9.621 -2.902 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.159 -9.048 -2.187 1.00 0.00 C ATOM 0 H LEU A 87 -11.922 -11.601 0.128 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.068 -8.937 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.754 -10.101 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.239 -8.446 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.116 -10.906 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.080 -9.893 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.326 -10.236 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.746 -8.570 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.795 -9.320 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.405 -7.986 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.385 -9.253 -1.447 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.412 -10.022 2.476 1.00 0.00 N ATOM 1367 CA VAL A 88 -14.093 -9.797 3.707 1.00 0.00 C ATOM 1368 C VAL A 88 -13.189 -9.719 4.922 1.00 0.00 C ATOM 1369 O VAL A 88 -13.319 -8.809 5.755 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.291 -10.753 3.830 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.780 -10.727 5.209 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.419 -10.513 2.874 1.00 0.00 C ATOM 0 H VAL A 88 -13.665 -10.900 2.023 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.502 -8.787 3.683 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.912 -11.737 3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.630 -11.402 5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.985 -11.045 5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.090 -9.714 5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -17.208 -11.244 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.815 -9.509 3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -16.056 -10.611 1.851 1.00 0.00 H new ATOM 1382 N GLU A 89 -12.271 -10.628 5.010 1.00 0.00 N ATOM 1383 CA GLU A 89 -11.245 -10.585 6.034 1.00 0.00 C ATOM 1384 C GLU A 89 -10.348 -9.348 5.868 1.00 0.00 C ATOM 1385 O GLU A 89 -9.767 -8.851 6.828 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.432 -11.850 6.000 1.00 0.00 C ATOM 1387 CG GLU A 89 -11.048 -13.037 6.706 1.00 0.00 C ATOM 1388 CD GLU A 89 -11.092 -12.838 8.195 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -10.015 -12.802 8.832 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -12.191 -12.708 8.769 1.00 0.00 O ATOM 0 H GLU A 89 -12.201 -11.427 4.379 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.730 -10.508 7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.255 -12.120 4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.459 -11.648 6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.058 -13.199 6.331 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.475 -13.935 6.476 1.00 0.00 H new ATOM 1397 N ALA A 90 -10.210 -8.886 4.652 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.422 -7.684 4.381 1.00 0.00 C ATOM 1399 C ALA A 90 -10.171 -6.384 4.693 1.00 0.00 C ATOM 1400 O ALA A 90 -9.561 -5.480 5.272 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.865 -7.674 2.987 1.00 0.00 C ATOM 0 H ALA A 90 -10.628 -9.315 3.826 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.581 -7.726 5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.288 -6.762 2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.219 -8.541 2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.683 -7.711 2.268 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.487 -6.265 4.316 1.00 0.00 N ATOM 1408 CA GLU A 91 -12.270 -5.062 4.643 1.00 0.00 C ATOM 1409 C GLU A 91 -12.235 -4.712 6.116 1.00 0.00 C ATOM 1410 O GLU A 91 -12.509 -3.568 6.503 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.702 -5.144 4.215 1.00 0.00 C ATOM 1412 CG GLU A 91 -13.968 -4.825 2.773 1.00 0.00 C ATOM 1413 CD GLU A 91 -15.406 -4.401 2.541 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -16.338 -5.224 2.655 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -15.638 -3.198 2.277 1.00 0.00 O ATOM 0 H GLU A 91 -12.001 -6.978 3.799 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.777 -4.275 4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.066 -6.151 4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.287 -4.463 4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.298 -4.029 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.744 -5.699 2.161 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.947 -5.711 6.930 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.775 -5.559 8.355 1.00 0.00 C ATOM 1424 C LYS A 92 -10.760 -4.469 8.664 1.00 0.00 C ATOM 1425 O LYS A 92 -10.961 -3.642 9.552 1.00 0.00 O ATOM 1426 CB LYS A 92 -11.249 -6.852 8.934 1.00 0.00 C ATOM 1427 CG LYS A 92 -12.149 -8.042 8.723 1.00 0.00 C ATOM 1428 CD LYS A 92 -13.489 -7.891 9.391 1.00 0.00 C ATOM 1429 CE LYS A 92 -14.332 -9.126 9.153 1.00 0.00 C ATOM 1430 NZ LYS A 92 -15.681 -8.993 9.742 1.00 0.00 N ATOM 0 H LYS A 92 -11.824 -6.671 6.607 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.740 -5.296 8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.276 -7.065 8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.089 -6.718 10.004 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -12.297 -8.194 7.654 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -11.657 -8.936 9.106 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.355 -7.734 10.461 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -14.001 -7.011 9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -14.420 -9.305 8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -13.833 -9.995 9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -16.227 -9.859 9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -15.599 -8.847 10.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -16.168 -8.179 9.315 1.00 0.00 H new ATOM 1444 N SER A 93 -9.679 -4.468 7.920 1.00 0.00 N ATOM 1445 CA SER A 93 -8.612 -3.554 8.160 1.00 0.00 C ATOM 1446 C SER A 93 -7.969 -2.996 6.873 1.00 0.00 C ATOM 1447 O SER A 93 -8.288 -1.885 6.444 1.00 0.00 O ATOM 1448 CB SER A 93 -7.600 -4.198 9.073 1.00 0.00 C ATOM 1449 OG SER A 93 -8.194 -4.554 10.318 1.00 0.00 O ATOM 0 H SER A 93 -9.524 -5.102 7.136 1.00 0.00 H new ATOM 0 HA SER A 93 -9.033 -2.677 8.652 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.186 -5.086 8.595 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.770 -3.512 9.244 1.00 0.00 H new ATOM 0 HG SER A 93 -7.518 -4.512 11.027 1.00 0.00 H new ATOM 1455 N TYR A 94 -7.095 -3.765 6.269 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.355 -3.380 5.061 1.00 0.00 C ATOM 1457 C TYR A 94 -5.675 -4.630 4.468 1.00 0.00 C ATOM 1458 O TYR A 94 -5.793 -5.727 5.015 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.192 -2.366 5.342 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.189 -2.593 6.428 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.593 -2.762 7.721 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.833 -2.551 6.156 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.688 -2.906 8.748 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.913 -2.680 7.162 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.343 -2.860 8.465 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.422 -2.987 9.486 1.00 0.00 O ATOM 0 H TYR A 94 -6.863 -4.701 6.601 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.086 -2.920 4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.632 -2.265 4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.658 -1.401 5.541 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.650 -2.783 7.944 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.496 -2.415 5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.029 -3.053 9.762 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.857 -2.641 6.940 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.516 -2.934 9.117 1.00 0.00 H new ATOM 1476 N PHE A 95 -4.957 -4.422 3.377 1.00 0.00 N ATOM 1477 CA PHE A 95 -4.049 -5.403 2.765 1.00 0.00 C ATOM 1478 C PHE A 95 -2.672 -4.778 2.754 1.00 0.00 C ATOM 1479 O PHE A 95 -2.567 -3.562 2.692 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.400 -5.714 1.296 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.254 -6.924 1.033 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.871 -8.174 1.503 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.394 -6.829 0.249 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.610 -9.301 1.201 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.145 -7.953 -0.049 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.749 -9.193 0.427 1.00 0.00 C ATOM 0 H PHE A 95 -4.985 -3.538 2.869 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.118 -6.328 3.337 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.909 -4.845 0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.468 -5.833 0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.984 -8.266 2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.700 -5.866 -0.134 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.297 -10.267 1.570 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.037 -7.864 -0.651 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.330 -10.073 0.193 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.632 -5.563 2.847 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.289 -5.008 2.752 1.00 0.00 C ATOM 1498 C ILE A 96 0.415 -5.548 1.501 1.00 0.00 C ATOM 1499 O ILE A 96 0.865 -6.676 1.476 1.00 0.00 O ATOM 1500 CB ILE A 96 0.563 -5.290 3.987 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.215 -4.940 5.243 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.826 -4.460 3.913 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.584 -5.064 6.499 1.00 0.00 C ATOM 0 H ILE A 96 -1.676 -6.573 2.986 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.401 -3.926 2.683 1.00 0.00 H new ATOM 0 HB ILE A 96 0.822 -6.348 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.585 -3.918 5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.087 -5.590 5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.441 -4.655 4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.383 -4.724 3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.565 -3.402 3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.038 -4.798 7.354 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.932 -6.091 6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.442 -4.393 6.452 1.00 0.00 H new ATOM 1515 N LEU A 97 0.430 -4.752 0.464 1.00 0.00 N ATOM 1516 CA LEU A 97 1.046 -5.101 -0.796 1.00 0.00 C ATOM 1517 C LEU A 97 2.544 -4.912 -0.670 1.00 0.00 C ATOM 1518 O LEU A 97 3.060 -3.791 -0.609 1.00 0.00 O ATOM 1519 CB LEU A 97 0.410 -4.215 -1.900 1.00 0.00 C ATOM 1520 CG LEU A 97 0.655 -4.539 -3.391 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.753 -3.710 -3.950 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.932 -6.009 -3.620 1.00 0.00 C ATOM 0 H LEU A 97 0.007 -3.824 0.469 1.00 0.00 H new ATOM 0 HA LEU A 97 0.876 -6.143 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.668 -4.223 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.750 -3.193 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.267 -4.293 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.901 -3.962 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.493 -2.655 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.673 -3.904 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.098 -6.187 -4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.820 -6.304 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.078 -6.597 -3.282 1.00 0.00 H new ATOM 1534 N ARG A 98 3.229 -6.018 -0.573 1.00 0.00 N ATOM 1535 CA ARG A 98 4.636 -6.022 -0.301 1.00 0.00 C ATOM 1536 C ARG A 98 5.359 -6.759 -1.348 1.00 0.00 C ATOM 1537 O ARG A 98 4.755 -7.506 -2.135 1.00 0.00 O ATOM 1538 CB ARG A 98 4.930 -6.769 0.976 1.00 0.00 C ATOM 1539 CG ARG A 98 4.282 -6.259 2.208 1.00 0.00 C ATOM 1540 CD ARG A 98 4.714 -7.093 3.379 1.00 0.00 C ATOM 1541 NE ARG A 98 6.174 -7.038 3.581 1.00 0.00 N ATOM 1542 CZ ARG A 98 6.827 -7.694 4.537 1.00 0.00 C ATOM 1543 NH1 ARG A 98 6.171 -8.521 5.327 1.00 0.00 N ATOM 1544 NH2 ARG A 98 8.137 -7.533 4.683 1.00 0.00 N ATOM 0 H ARG A 98 2.822 -6.947 -0.682 1.00 0.00 H new ATOM 0 HA ARG A 98 4.946 -4.979 -0.243 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.631 -7.808 0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.009 -6.765 1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.554 -5.216 2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.198 -6.293 2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.209 -6.744 4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.407 -8.127 3.222 1.00 0.00 H new ATOM 0 HE ARG A 98 6.720 -6.458 2.945 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.167 -8.656 5.204 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.667 -9.026 6.061 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.646 -6.905 4.061 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.634 -8.038 5.417 1.00 0.00 H new ATOM 1558 N MET A 99 6.654 -6.585 -1.352 1.00 0.00 N ATOM 1559 CA MET A 99 7.473 -7.373 -2.169 1.00 0.00 C ATOM 1560 C MET A 99 7.691 -8.687 -1.462 1.00 0.00 C ATOM 1561 O MET A 99 7.946 -8.718 -0.247 1.00 0.00 O ATOM 1562 CB MET A 99 8.810 -6.738 -2.461 1.00 0.00 C ATOM 1563 CG MET A 99 8.743 -5.403 -3.125 1.00 0.00 C ATOM 1564 SD MET A 99 10.304 -4.925 -3.875 1.00 0.00 S ATOM 1565 CE MET A 99 10.338 -6.041 -5.286 1.00 0.00 C ATOM 0 H MET A 99 7.147 -5.894 -0.787 1.00 0.00 H new ATOM 0 HA MET A 99 6.974 -7.499 -3.130 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.358 -6.634 -1.525 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.386 -7.413 -3.094 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.967 -5.420 -3.890 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.451 -4.651 -2.392 1.00 0.00 H new ATOM 0 HE1 MET A 99 10.986 -5.630 -6.060 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.719 -7.013 -4.972 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.329 -6.158 -5.682 1.00 0.00 H new