USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1001 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 Single : A 1 ALA N :NH3+ 149:sc= 0.0612 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -132:sc= -0.0281 (180deg=-0.858) USER MOD Single : A 15 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00083) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0.62 K(o=0.62,f=-0.34) USER MOD Single : A 27 GLN : amide:sc= -0.923 K(o=-0.92,f=-2.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -150:sc= -0.167 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -113:sc= 1.13 USER MOD Single : A 42 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-6!) USER MOD Single : A 44 TYR OH : rot 50:sc= -1.53! USER MOD Single : A 49 HIS : no HD1:sc= -0.0656 X(o=-0.066,f=0.0041) USER MOD Single : A 55 ASN : amide:sc= -0.894 K(o=-0.89,f=0.1) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 165:sc= -0.0607 USER MOD Single : A 70 TYR OH : rot -38:sc= 0.522 USER MOD Single : A 74 LYS NZ :NH3+ -151:sc= 1.63 (180deg=-0.781) USER MOD Single : A 75 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.3!) USER MOD Single : A 80 LYS NZ :NH3+ -142:sc= -0.853 (180deg=-1.55!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0963 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 87 GLN : amide:sc= -2.02 X(o=-2,f=-2.2) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 174:sc= 0.987 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.354 USER MOD Single : A 100 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.13) USER MOD Single : A 101 SER OG : rot 8:sc= 0.534 USER MOD Single : A 106 GLN : amide:sc= -1.33 K(o=-1.3,f=-2) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl 177:sc= -0.188 (180deg=-0.207) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0352 USER MOD Single : A 113 HIS : no HD1:sc= -5.76! C(o=-5!,f=-19!) USER MOD Single : A 114 SER OG : rot 84:sc= 0.119 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.52) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ -118:sc= 1.27 (180deg=-0.731) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.835 11.352 4.703 1.00 0.00 N ATOM 2 CA ALA A 1 -14.574 11.438 3.256 1.00 0.00 C ATOM 3 C ALA A 1 -13.736 10.253 2.824 1.00 0.00 C ATOM 4 O ALA A 1 -12.865 9.878 3.590 1.00 0.00 O ATOM 5 CB ALA A 1 -13.889 12.759 2.893 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.917 12.310 5.099 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.722 10.834 4.866 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.051 10.851 5.168 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.525 11.413 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.710 12.793 1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.530 13.592 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.939 12.834 3.422 1.00 0.00 H new ATOM 13 N PRO A 2 -14.037 9.648 1.662 1.00 0.00 N ATOM 14 CA PRO A 2 -13.269 8.530 1.096 1.00 0.00 C ATOM 15 C PRO A 2 -11.847 8.929 0.657 1.00 0.00 C ATOM 16 O PRO A 2 -10.949 8.097 0.581 1.00 0.00 O ATOM 17 CB PRO A 2 -14.119 8.079 -0.112 1.00 0.00 C ATOM 18 CG PRO A 2 -14.885 9.320 -0.545 1.00 0.00 C ATOM 19 CD PRO A 2 -15.106 10.071 0.759 1.00 0.00 C ATOM 0 HA PRO A 2 -13.107 7.744 1.833 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.489 7.703 -0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.799 7.273 0.164 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.316 9.915 -1.260 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.829 9.062 -1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.075 11.148 0.597 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.085 9.840 1.180 1.00 0.00 H new ATOM 27 N ILE A 3 -11.639 10.210 0.392 1.00 0.00 N ATOM 28 CA ILE A 3 -10.340 10.737 0.016 1.00 0.00 C ATOM 29 C ILE A 3 -9.511 11.034 1.253 1.00 0.00 C ATOM 30 O ILE A 3 -9.926 11.812 2.118 1.00 0.00 O ATOM 31 CB ILE A 3 -10.507 11.982 -0.882 1.00 0.00 C ATOM 32 CG1 ILE A 3 -9.125 12.452 -1.418 1.00 0.00 C ATOM 33 CG2 ILE A 3 -11.195 13.133 -0.119 1.00 0.00 C ATOM 34 CD1 ILE A 3 -8.727 11.793 -2.736 1.00 0.00 C ATOM 0 H ILE A 3 -12.374 10.916 0.433 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.802 9.986 -0.563 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.141 11.704 -1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.145 13.533 -1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.362 12.239 -0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.298 13.995 -0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.181 12.810 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.592 13.408 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.753 12.168 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.674 10.713 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.469 12.028 -3.499 1.00 0.00 H new ATOM 46 N VAL A 4 -8.308 10.479 1.258 1.00 0.00 N ATOM 47 CA VAL A 4 -7.341 10.673 2.323 1.00 0.00 C ATOM 48 C VAL A 4 -5.985 11.060 1.779 1.00 0.00 C ATOM 49 O VAL A 4 -5.855 11.325 0.572 1.00 0.00 O ATOM 50 CB VAL A 4 -7.311 9.416 3.207 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.578 9.343 4.068 1.00 0.00 C ATOM 52 CG2 VAL A 4 -7.090 8.100 2.462 1.00 0.00 C ATOM 0 H VAL A 4 -7.973 9.872 0.510 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.643 11.513 2.949 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.429 9.530 3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.544 8.448 4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.636 10.225 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.455 9.303 3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.085 7.275 3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.893 7.951 1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.134 8.134 1.940 1.00 0.00 H new ATOM 62 N THR A 5 -5.011 11.180 2.687 1.00 0.00 N ATOM 63 CA THR A 5 -3.628 11.488 2.352 1.00 0.00 C ATOM 64 C THR A 5 -2.588 10.938 3.335 1.00 0.00 C ATOM 65 O THR A 5 -2.565 11.220 4.517 1.00 0.00 O ATOM 66 CB THR A 5 -3.401 12.987 2.155 1.00 0.00 C ATOM 67 OG1 THR A 5 -3.979 13.715 3.212 1.00 0.00 O ATOM 68 CG2 THR A 5 -4.064 13.522 0.887 1.00 0.00 C ATOM 0 H THR A 5 -5.169 11.063 3.688 1.00 0.00 H new ATOM 0 HA THR A 5 -3.472 10.966 1.408 1.00 0.00 H new ATOM 0 HB THR A 5 -2.319 13.110 2.101 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.824 14.673 3.073 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.870 14.591 0.798 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.656 13.006 0.018 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.139 13.352 0.939 1.00 0.00 H new ATOM 76 N CYS A 6 -1.565 10.268 2.819 1.00 0.00 N ATOM 77 CA CYS A 6 -0.563 9.733 3.738 1.00 0.00 C ATOM 78 C CYS A 6 0.142 10.882 4.470 1.00 0.00 C ATOM 79 O CYS A 6 0.186 11.983 3.916 1.00 0.00 O ATOM 80 CB CYS A 6 0.369 8.824 2.941 1.00 0.00 C ATOM 81 SG CYS A 6 -0.472 7.636 1.845 1.00 0.00 S ATOM 0 H CYS A 6 -1.408 10.088 1.827 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.012 9.126 4.525 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.032 9.445 2.339 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.998 8.271 3.639 1.00 0.00 H new ATOM 86 N ARG A 7 0.858 10.574 5.560 1.00 0.00 N ATOM 87 CA ARG A 7 1.785 11.522 6.225 1.00 0.00 C ATOM 88 C ARG A 7 3.288 11.159 6.117 1.00 0.00 C ATOM 89 O ARG A 7 4.001 11.197 7.108 1.00 0.00 O ATOM 90 CB ARG A 7 1.327 11.589 7.681 1.00 0.00 C ATOM 91 CG ARG A 7 -0.008 12.346 7.812 1.00 0.00 C ATOM 92 CD ARG A 7 -0.706 11.915 9.098 1.00 0.00 C ATOM 93 NE ARG A 7 0.060 12.314 10.300 1.00 0.00 N ATOM 94 CZ ARG A 7 -0.027 11.696 11.461 1.00 0.00 C ATOM 95 NH1 ARG A 7 -0.812 10.659 11.635 1.00 0.00 N ATOM 96 NH2 ARG A 7 0.646 12.123 12.490 1.00 0.00 N ATOM 0 H ARG A 7 0.816 9.661 6.012 1.00 0.00 H new ATOM 0 HA ARG A 7 1.733 12.486 5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.216 10.579 8.077 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.089 12.085 8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.170 13.421 7.824 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.644 12.137 6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.701 12.358 9.138 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.839 10.833 9.094 1.00 0.00 H new ATOM 0 HE ARG A 7 0.691 13.112 10.226 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.376 10.311 10.860 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.858 10.201 12.545 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.247 12.942 12.402 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.572 11.638 13.384 1.00 0.00 H new ATOM 110 N PRO A 8 3.797 10.756 4.942 1.00 0.00 N ATOM 111 CA PRO A 8 5.179 10.394 4.727 1.00 0.00 C ATOM 112 C PRO A 8 6.096 11.600 4.865 1.00 0.00 C ATOM 113 O PRO A 8 5.645 12.740 4.983 1.00 0.00 O ATOM 114 CB PRO A 8 5.214 9.872 3.291 1.00 0.00 C ATOM 115 CG PRO A 8 4.075 10.538 2.567 1.00 0.00 C ATOM 116 CD PRO A 8 3.109 10.718 3.687 1.00 0.00 C ATOM 0 HA PRO A 8 5.524 9.662 5.457 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.166 10.107 2.816 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.106 8.788 3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.368 11.486 2.116 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.672 9.916 1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.547 11.641 3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.386 9.902 3.686 1.00 0.00 H new ATOM 124 N LYS A 9 7.395 11.369 4.684 1.00 0.00 N ATOM 125 CA LYS A 9 8.417 12.414 4.699 1.00 0.00 C ATOM 126 C LYS A 9 8.897 12.779 3.282 1.00 0.00 C ATOM 127 O LYS A 9 9.725 12.100 2.663 1.00 0.00 O ATOM 128 CB LYS A 9 9.558 11.945 5.613 1.00 0.00 C ATOM 129 CG LYS A 9 10.780 12.883 5.543 1.00 0.00 C ATOM 130 CD LYS A 9 12.033 12.154 6.048 1.00 0.00 C ATOM 131 CE LYS A 9 13.290 12.852 5.520 1.00 0.00 C ATOM 132 NZ LYS A 9 13.477 12.597 4.068 1.00 0.00 N ATOM 0 H LYS A 9 7.773 10.436 4.520 1.00 0.00 H new ATOM 0 HA LYS A 9 7.997 13.339 5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.200 11.893 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.859 10.937 5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.933 13.218 4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.600 13.773 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.043 12.143 7.138 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.018 11.115 5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.215 13.925 5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.163 12.499 6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.460 12.309 3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.834 11.839 3.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.268 13.464 3.533 1.00 0.00 H new ATOM 146 N LEU A 10 8.572 14.001 2.880 1.00 0.00 N ATOM 147 CA LEU A 10 9.085 14.501 1.614 1.00 0.00 C ATOM 148 C LEU A 10 10.382 15.287 1.850 1.00 0.00 C ATOM 149 O LEU A 10 11.500 14.784 1.679 1.00 0.00 O ATOM 150 CB LEU A 10 7.954 15.273 0.913 1.00 0.00 C ATOM 151 CG LEU A 10 8.189 15.585 -0.587 1.00 0.00 C ATOM 152 CD1 LEU A 10 9.671 15.696 -0.996 1.00 0.00 C ATOM 153 CD2 LEU A 10 7.476 14.557 -1.482 1.00 0.00 C ATOM 0 H LEU A 10 7.974 14.647 3.395 1.00 0.00 H new ATOM 0 HA LEU A 10 9.375 13.700 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.033 14.698 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.798 16.213 1.442 1.00 0.00 H new ATOM 0 HG LEU A 10 7.759 16.575 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.739 15.916 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.146 16.497 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.178 14.754 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.657 14.799 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.861 13.560 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.405 14.583 -1.284 1.00 0.00 H new ATOM 165 N ASP A 11 10.219 16.511 2.341 1.00 0.00 N ATOM 166 CA ASP A 11 11.291 17.511 2.414 1.00 0.00 C ATOM 167 C ASP A 11 11.651 17.694 3.888 1.00 0.00 C ATOM 168 O ASP A 11 11.589 18.762 4.490 1.00 0.00 O ATOM 169 CB ASP A 11 10.936 18.830 1.690 1.00 0.00 C ATOM 170 CG ASP A 11 9.430 19.157 1.701 1.00 0.00 C ATOM 171 OD1 ASP A 11 8.736 18.717 0.758 1.00 0.00 O ATOM 172 OD2 ASP A 11 8.955 19.728 2.709 1.00 0.00 O ATOM 0 H ASP A 11 9.327 16.846 2.706 1.00 0.00 H new ATOM 0 HA ASP A 11 12.169 17.158 1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.480 19.650 2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.278 18.771 0.657 1.00 0.00 H new ATOM 177 N GLY A 12 11.957 16.577 4.544 1.00 0.00 N ATOM 178 CA GLY A 12 12.215 16.633 5.988 1.00 0.00 C ATOM 179 C GLY A 12 10.967 16.857 6.851 1.00 0.00 C ATOM 180 O GLY A 12 11.055 16.689 8.068 1.00 0.00 O ATOM 0 H GLY A 12 12.032 15.652 4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.691 15.702 6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.926 17.435 6.186 1.00 0.00 H new ATOM 184 N ARG A 13 9.821 17.175 6.239 1.00 0.00 N ATOM 185 CA ARG A 13 8.542 17.378 6.908 1.00 0.00 C ATOM 186 C ARG A 13 7.506 16.397 6.371 1.00 0.00 C ATOM 187 O ARG A 13 7.679 15.800 5.299 1.00 0.00 O ATOM 188 CB ARG A 13 8.108 18.846 6.710 1.00 0.00 C ATOM 189 CG ARG A 13 7.382 19.382 7.958 1.00 0.00 C ATOM 190 CD ARG A 13 8.380 19.941 8.978 1.00 0.00 C ATOM 191 NE ARG A 13 8.900 21.261 8.557 1.00 0.00 N ATOM 192 CZ ARG A 13 9.374 22.185 9.379 1.00 0.00 C ATOM 193 NH1 ARG A 13 9.413 21.992 10.671 1.00 0.00 N ATOM 194 NH2 ARG A 13 9.819 23.321 8.925 1.00 0.00 N ATOM 0 H ARG A 13 9.762 17.301 5.229 1.00 0.00 H new ATOM 0 HA ARG A 13 8.637 17.187 7.977 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.983 19.462 6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.451 18.921 5.843 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.679 20.162 7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.799 18.582 8.415 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.896 20.032 9.950 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.209 19.243 9.098 1.00 0.00 H new ATOM 0 HE ARG A 13 8.893 21.475 7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.074 21.115 11.066 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.783 22.718 11.284 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.806 23.510 7.923 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.181 24.022 9.572 1.00 0.00 H new ATOM 208 N GLU A 14 6.423 16.278 7.133 1.00 0.00 N ATOM 209 CA GLU A 14 5.294 15.433 6.773 1.00 0.00 C ATOM 210 C GLU A 14 4.510 16.035 5.607 1.00 0.00 C ATOM 211 O GLU A 14 3.918 17.115 5.745 1.00 0.00 O ATOM 212 CB GLU A 14 4.363 15.190 7.967 1.00 0.00 C ATOM 213 CG GLU A 14 5.017 14.296 9.039 1.00 0.00 C ATOM 214 CD GLU A 14 4.022 13.990 10.197 1.00 0.00 C ATOM 215 OE1 GLU A 14 2.816 13.700 9.966 1.00 0.00 O ATOM 216 OE2 GLU A 14 4.438 14.178 11.359 1.00 0.00 O ATOM 0 H GLU A 14 6.305 16.767 8.020 1.00 0.00 H new ATOM 0 HA GLU A 14 5.700 14.470 6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.087 16.146 8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.442 14.723 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.350 13.363 8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.903 14.790 9.438 1.00 0.00 H new ATOM 223 N LYS A 15 4.526 15.350 4.458 1.00 0.00 N ATOM 224 CA LYS A 15 3.809 15.815 3.273 1.00 0.00 C ATOM 225 C LYS A 15 2.578 14.951 3.010 1.00 0.00 C ATOM 226 O LYS A 15 2.722 13.746 2.892 1.00 0.00 O ATOM 227 CB LYS A 15 4.753 15.848 2.063 1.00 0.00 C ATOM 228 CG LYS A 15 4.376 16.953 1.055 1.00 0.00 C ATOM 229 CD LYS A 15 3.393 16.425 -0.007 1.00 0.00 C ATOM 230 CE LYS A 15 3.155 17.464 -1.098 1.00 0.00 C ATOM 231 NZ LYS A 15 2.223 18.524 -0.640 1.00 0.00 N ATOM 0 H LYS A 15 5.029 14.472 4.327 1.00 0.00 H new ATOM 0 HA LYS A 15 3.456 16.831 3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.775 16.007 2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.732 14.880 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.927 17.794 1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.276 17.327 0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.788 15.511 -0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.446 16.166 0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.105 17.913 -1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.748 16.977 -1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.094 19.224 -1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.304 18.099 -0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.616 18.992 0.201 1.00 0.00 H new ATOM 245 N PRO A 16 1.402 15.552 2.753 1.00 0.00 N ATOM 246 CA PRO A 16 0.180 14.840 2.411 1.00 0.00 C ATOM 247 C PRO A 16 0.267 14.137 1.058 1.00 0.00 C ATOM 248 O PRO A 16 0.227 14.804 0.013 1.00 0.00 O ATOM 249 CB PRO A 16 -0.927 15.891 2.440 1.00 0.00 C ATOM 250 CG PRO A 16 -0.194 17.189 2.120 1.00 0.00 C ATOM 251 CD PRO A 16 1.178 16.982 2.737 1.00 0.00 C ATOM 0 HA PRO A 16 -0.013 14.035 3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.703 15.677 1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.414 15.935 3.414 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.129 17.359 1.045 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.701 18.053 2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.947 17.490 2.155 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.217 17.394 3.746 1.00 0.00 H new ATOM 259 N PHE A 17 0.341 12.807 1.066 1.00 0.00 N ATOM 260 CA PHE A 17 0.414 12.036 -0.173 1.00 0.00 C ATOM 261 C PHE A 17 -0.977 11.687 -0.655 1.00 0.00 C ATOM 262 O PHE A 17 -1.658 10.935 0.023 1.00 0.00 O ATOM 263 CB PHE A 17 1.221 10.757 0.034 1.00 0.00 C ATOM 264 CG PHE A 17 2.069 10.420 -1.168 1.00 0.00 C ATOM 265 CD1 PHE A 17 1.472 10.271 -2.434 1.00 0.00 C ATOM 266 CD2 PHE A 17 3.461 10.247 -1.020 1.00 0.00 C ATOM 267 CE1 PHE A 17 2.296 9.952 -3.527 1.00 0.00 C ATOM 268 CE2 PHE A 17 4.271 9.902 -2.111 1.00 0.00 C ATOM 269 CZ PHE A 17 3.683 9.752 -3.376 1.00 0.00 C ATOM 0 H PHE A 17 0.352 12.242 1.915 1.00 0.00 H new ATOM 0 HA PHE A 17 0.912 12.648 -0.925 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.862 10.871 0.909 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.542 9.930 0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.407 10.399 -2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.911 10.383 -0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.855 9.858 -4.508 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.333 9.754 -1.980 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.289 9.485 -4.229 1.00 0.00 H new ATOM 279 N LYS A 18 -1.406 12.222 -1.795 1.00 0.00 N ATOM 280 CA LYS A 18 -2.730 11.971 -2.374 1.00 0.00 C ATOM 281 C LYS A 18 -3.050 10.490 -2.465 1.00 0.00 C ATOM 282 O LYS A 18 -2.326 9.813 -3.195 1.00 0.00 O ATOM 283 CB LYS A 18 -2.807 12.540 -3.780 1.00 0.00 C ATOM 284 CG LYS A 18 -2.469 14.039 -3.857 1.00 0.00 C ATOM 285 CD LYS A 18 -3.691 14.888 -3.473 1.00 0.00 C ATOM 286 CE LYS A 18 -3.347 16.369 -3.662 1.00 0.00 C ATOM 287 NZ LYS A 18 -4.508 17.216 -3.293 1.00 0.00 N ATOM 0 H LYS A 18 -0.835 12.855 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.449 12.453 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.123 11.988 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.812 12.382 -4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.638 14.265 -3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.145 14.293 -4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.547 14.618 -4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.973 14.696 -2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.486 16.631 -3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.067 16.555 -4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.263 18.218 -3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.319 16.975 -3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.757 17.049 -2.297 1.00 0.00 H new ATOM 301 N VAL A 19 -4.109 10.044 -1.781 1.00 0.00 N ATOM 302 CA VAL A 19 -4.476 8.619 -1.711 1.00 0.00 C ATOM 303 C VAL A 19 -5.975 8.461 -1.472 1.00 0.00 C ATOM 304 O VAL A 19 -6.507 8.814 -0.440 1.00 0.00 O ATOM 305 CB VAL A 19 -3.690 7.840 -0.627 1.00 0.00 C ATOM 306 CG1 VAL A 19 -2.232 7.679 -1.037 1.00 0.00 C ATOM 307 CG2 VAL A 19 -3.717 8.491 0.749 1.00 0.00 C ATOM 0 H VAL A 19 -4.737 10.656 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.207 8.189 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.195 6.877 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.695 7.130 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.177 7.130 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.779 8.662 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.144 7.884 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.278 9.487 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.748 8.569 1.095 1.00 0.00 H new ATOM 317 N ASP A 20 -6.716 7.998 -2.456 1.00 0.00 N ATOM 318 CA ASP A 20 -8.153 7.784 -2.258 1.00 0.00 C ATOM 319 C ASP A 20 -8.442 6.329 -1.872 1.00 0.00 C ATOM 320 O ASP A 20 -7.819 5.388 -2.392 1.00 0.00 O ATOM 321 CB ASP A 20 -8.862 8.166 -3.556 1.00 0.00 C ATOM 322 CG ASP A 20 -10.347 8.491 -3.326 1.00 0.00 C ATOM 323 OD1 ASP A 20 -10.689 9.474 -2.647 1.00 0.00 O ATOM 324 OD2 ASP A 20 -11.170 7.706 -3.816 1.00 0.00 O ATOM 0 H ASP A 20 -6.367 7.764 -3.385 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.519 8.403 -1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.366 9.029 -4.000 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.776 7.347 -4.271 1.00 0.00 H new ATOM 329 N VAL A 21 -9.451 6.148 -1.017 1.00 0.00 N ATOM 330 CA VAL A 21 -9.876 4.810 -0.602 1.00 0.00 C ATOM 331 C VAL A 21 -10.366 3.988 -1.785 1.00 0.00 C ATOM 332 O VAL A 21 -10.027 2.808 -1.854 1.00 0.00 O ATOM 333 CB VAL A 21 -10.963 4.875 0.479 1.00 0.00 C ATOM 334 CG1 VAL A 21 -12.288 5.418 -0.057 1.00 0.00 C ATOM 335 CG2 VAL A 21 -11.266 3.491 1.030 1.00 0.00 C ATOM 0 H VAL A 21 -9.987 6.909 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.000 4.317 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.566 5.538 1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.023 5.443 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.138 6.426 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.649 4.772 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.040 3.565 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.614 2.846 0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.362 3.068 1.468 1.00 0.00 H new ATOM 345 N ALA A 22 -11.139 4.597 -2.701 1.00 0.00 N ATOM 346 CA ALA A 22 -11.780 3.904 -3.819 1.00 0.00 C ATOM 347 C ALA A 22 -10.708 3.171 -4.618 1.00 0.00 C ATOM 348 O ALA A 22 -10.817 1.967 -4.868 1.00 0.00 O ATOM 349 CB ALA A 22 -12.508 4.924 -4.712 1.00 0.00 C ATOM 0 H ALA A 22 -11.335 5.598 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.511 3.186 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.984 4.405 -5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.266 5.444 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.790 5.647 -5.099 1.00 0.00 H new ATOM 355 N THR A 23 -9.644 3.911 -4.955 1.00 0.00 N ATOM 356 CA THR A 23 -8.522 3.325 -5.674 1.00 0.00 C ATOM 357 C THR A 23 -7.840 2.283 -4.805 1.00 0.00 C ATOM 358 O THR A 23 -7.718 1.150 -5.260 1.00 0.00 O ATOM 359 CB THR A 23 -7.500 4.381 -6.088 1.00 0.00 C ATOM 360 OG1 THR A 23 -8.125 5.381 -6.850 1.00 0.00 O ATOM 361 CG2 THR A 23 -6.434 3.780 -7.007 1.00 0.00 C ATOM 0 H THR A 23 -9.543 4.903 -4.742 1.00 0.00 H new ATOM 0 HA THR A 23 -8.917 2.861 -6.578 1.00 0.00 H new ATOM 0 HB THR A 23 -7.060 4.772 -5.171 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.463 6.055 -7.110 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.718 4.553 -7.288 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.915 2.976 -6.485 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.909 3.382 -7.904 1.00 0.00 H new ATOM 369 N ALA A 24 -7.433 2.614 -3.575 1.00 0.00 N ATOM 370 CA ALA A 24 -6.747 1.665 -2.685 1.00 0.00 C ATOM 371 C ALA A 24 -7.457 0.315 -2.583 1.00 0.00 C ATOM 372 O ALA A 24 -6.851 -0.740 -2.798 1.00 0.00 O ATOM 373 CB ALA A 24 -6.618 2.318 -1.326 1.00 0.00 C ATOM 0 H ALA A 24 -7.567 3.540 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.766 1.440 -3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.112 1.637 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.039 3.237 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.610 2.551 -0.939 1.00 0.00 H new ATOM 379 N GLN A 25 -8.760 0.365 -2.338 1.00 0.00 N ATOM 380 CA GLN A 25 -9.596 -0.823 -2.270 1.00 0.00 C ATOM 381 C GLN A 25 -9.669 -1.546 -3.609 1.00 0.00 C ATOM 382 O GLN A 25 -9.515 -2.770 -3.645 1.00 0.00 O ATOM 383 CB GLN A 25 -11.023 -0.443 -1.864 1.00 0.00 C ATOM 384 CG GLN A 25 -11.143 -0.308 -0.345 1.00 0.00 C ATOM 385 CD GLN A 25 -12.600 -0.233 0.115 1.00 0.00 C ATOM 386 OE1 GLN A 25 -13.547 -0.120 -0.648 1.00 0.00 O ATOM 387 NE2 GLN A 25 -12.829 -0.345 1.401 1.00 0.00 N ATOM 0 H GLN A 25 -9.267 1.236 -2.180 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.143 -1.484 -1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.302 0.497 -2.339 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.721 -1.200 -2.222 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.656 -1.158 0.133 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.614 0.587 -0.019 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.049 -0.440 2.051 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.787 -0.337 1.751 1.00 0.00 H new ATOM 396 N ALA A 26 -9.894 -0.800 -4.700 1.00 0.00 N ATOM 397 CA ALA A 26 -9.940 -1.364 -6.041 1.00 0.00 C ATOM 398 C ALA A 26 -8.699 -2.198 -6.331 1.00 0.00 C ATOM 399 O ALA A 26 -8.882 -3.284 -6.870 1.00 0.00 O ATOM 400 CB ALA A 26 -10.089 -0.268 -7.098 1.00 0.00 C ATOM 0 H ALA A 26 -10.048 0.208 -4.670 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.814 -2.013 -6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.120 -0.720 -8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.012 0.284 -6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.241 0.414 -7.037 1.00 0.00 H new ATOM 406 N GLN A 27 -7.518 -1.754 -5.889 1.00 0.00 N ATOM 407 CA GLN A 27 -6.250 -2.450 -6.113 1.00 0.00 C ATOM 408 C GLN A 27 -6.139 -3.673 -5.218 1.00 0.00 C ATOM 409 O GLN A 27 -5.937 -4.774 -5.730 1.00 0.00 O ATOM 410 CB GLN A 27 -5.092 -1.520 -5.807 1.00 0.00 C ATOM 411 CG GLN A 27 -5.156 -0.233 -6.612 1.00 0.00 C ATOM 412 CD GLN A 27 -4.620 -0.260 -8.037 1.00 0.00 C ATOM 413 OE1 GLN A 27 -3.742 -1.004 -8.423 1.00 0.00 O ATOM 414 NE2 GLN A 27 -5.110 0.610 -8.878 1.00 0.00 N ATOM 0 H GLN A 27 -7.416 -0.889 -5.358 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.217 -2.764 -7.156 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.093 -1.281 -4.744 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.153 -2.031 -6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.198 0.086 -6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.609 0.533 -6.063 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.849 1.247 -8.580 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.754 0.652 -9.833 1.00 0.00 H new ATOM 423 N ALA A 28 -6.423 -3.505 -3.920 1.00 0.00 N ATOM 424 CA ALA A 28 -6.380 -4.608 -2.958 1.00 0.00 C ATOM 425 C ALA A 28 -7.274 -5.767 -3.370 1.00 0.00 C ATOM 426 O ALA A 28 -6.835 -6.917 -3.410 1.00 0.00 O ATOM 427 CB ALA A 28 -6.852 -4.109 -1.593 1.00 0.00 C ATOM 0 H ALA A 28 -6.687 -2.608 -3.512 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.350 -4.961 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.821 -4.929 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.199 -3.305 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.873 -3.737 -1.675 1.00 0.00 H new ATOM 433 N ARG A 29 -8.522 -5.440 -3.722 1.00 0.00 N ATOM 434 CA ARG A 29 -9.481 -6.432 -4.182 1.00 0.00 C ATOM 435 C ARG A 29 -9.037 -7.027 -5.504 1.00 0.00 C ATOM 436 O ARG A 29 -9.077 -8.246 -5.648 1.00 0.00 O ATOM 437 CB ARG A 29 -10.872 -5.791 -4.299 1.00 0.00 C ATOM 438 CG ARG A 29 -11.938 -6.834 -4.701 1.00 0.00 C ATOM 439 CD ARG A 29 -12.093 -6.943 -6.233 1.00 0.00 C ATOM 440 NE ARG A 29 -12.616 -5.692 -6.816 1.00 0.00 N ATOM 441 CZ ARG A 29 -13.899 -5.444 -7.015 1.00 0.00 C ATOM 442 NH1 ARG A 29 -14.816 -6.326 -6.723 1.00 0.00 N ATOM 443 NH2 ARG A 29 -14.279 -4.315 -7.539 1.00 0.00 N ATOM 0 H ARG A 29 -8.887 -4.488 -3.694 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.535 -7.244 -3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.146 -5.336 -3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.845 -4.991 -5.039 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.664 -7.807 -4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.896 -6.562 -4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.128 -7.178 -6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.765 -7.766 -6.474 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.944 -4.972 -7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.549 -7.229 -6.332 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.800 -6.112 -6.885 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.585 -3.614 -7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.271 -4.131 -7.690 1.00 0.00 H new ATOM 457 N LYS A 30 -8.746 -6.171 -6.494 1.00 0.00 N ATOM 458 CA LYS A 30 -8.335 -6.623 -7.828 1.00 0.00 C ATOM 459 C LYS A 30 -7.203 -7.628 -7.736 1.00 0.00 C ATOM 460 O LYS A 30 -7.184 -8.545 -8.560 1.00 0.00 O ATOM 461 CB LYS A 30 -7.870 -5.417 -8.674 1.00 0.00 C ATOM 462 CG LYS A 30 -9.030 -4.723 -9.407 1.00 0.00 C ATOM 463 CD LYS A 30 -9.402 -5.496 -10.684 1.00 0.00 C ATOM 464 CE LYS A 30 -10.730 -4.989 -11.251 1.00 0.00 C ATOM 465 NZ LYS A 30 -10.586 -3.622 -11.828 1.00 0.00 N ATOM 0 H LYS A 30 -8.789 -5.157 -6.393 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.194 -7.100 -8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.371 -4.695 -8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.134 -5.753 -9.404 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.897 -4.658 -8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.747 -3.702 -9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.614 -5.380 -11.428 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.477 -6.561 -10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.085 -5.675 -12.020 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.483 -4.976 -10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.503 -3.306 -12.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.270 -2.964 -11.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.885 -3.641 -12.596 1.00 0.00 H new ATOM 479 N ALA A 31 -6.222 -7.363 -6.871 1.00 0.00 N ATOM 480 CA ALA A 31 -5.107 -8.274 -6.654 1.00 0.00 C ATOM 481 C ALA A 31 -5.521 -9.527 -5.875 1.00 0.00 C ATOM 482 O ALA A 31 -5.049 -10.620 -6.207 1.00 0.00 O ATOM 483 CB ALA A 31 -4.008 -7.529 -5.906 1.00 0.00 C ATOM 0 H ALA A 31 -6.182 -6.515 -6.306 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.747 -8.613 -7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.165 -8.199 -5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.679 -6.675 -6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.393 -7.179 -4.948 1.00 0.00 H new ATOM 489 N GLY A 32 -6.415 -9.354 -4.892 1.00 0.00 N ATOM 490 CA GLY A 32 -6.896 -10.452 -4.067 1.00 0.00 C ATOM 491 C GLY A 32 -5.810 -10.948 -3.120 1.00 0.00 C ATOM 492 O GLY A 32 -4.876 -10.219 -2.795 1.00 0.00 O ATOM 0 H GLY A 32 -6.819 -8.449 -4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.762 -10.125 -3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.228 -11.271 -4.705 1.00 0.00 H new ATOM 496 N LEU A 33 -5.944 -12.186 -2.648 1.00 0.00 N ATOM 497 CA LEU A 33 -5.006 -12.776 -1.672 1.00 0.00 C ATOM 498 C LEU A 33 -4.255 -13.947 -2.302 1.00 0.00 C ATOM 499 O LEU A 33 -4.098 -15.009 -1.700 1.00 0.00 O ATOM 500 CB LEU A 33 -5.748 -13.220 -0.402 1.00 0.00 C ATOM 501 CG LEU A 33 -6.764 -12.215 0.159 1.00 0.00 C ATOM 502 CD1 LEU A 33 -7.758 -12.964 1.034 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.070 -11.160 1.002 1.00 0.00 C ATOM 0 H LEU A 33 -6.700 -12.813 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.280 -12.015 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.268 -14.154 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.011 -13.434 0.372 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.270 -11.724 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.487 -12.262 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.273 -13.717 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.228 -13.450 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.810 -10.459 1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.555 -11.640 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.346 -10.623 0.389 1.00 0.00 H new ATOM 515 N THR A 34 -3.914 -13.804 -3.581 1.00 0.00 N ATOM 516 CA THR A 34 -3.248 -14.875 -4.320 1.00 0.00 C ATOM 517 C THR A 34 -2.194 -14.295 -5.243 1.00 0.00 C ATOM 518 O THR A 34 -2.517 -13.574 -6.196 1.00 0.00 O ATOM 519 CB THR A 34 -4.243 -15.707 -5.147 1.00 0.00 C ATOM 520 OG1 THR A 34 -5.323 -16.133 -4.353 1.00 0.00 O ATOM 521 CG2 THR A 34 -3.557 -16.957 -5.704 1.00 0.00 C ATOM 0 H THR A 34 -4.087 -12.960 -4.126 1.00 0.00 H new ATOM 0 HA THR A 34 -2.782 -15.533 -3.586 1.00 0.00 H new ATOM 0 HB THR A 34 -4.602 -15.072 -5.957 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.944 -16.659 -4.900 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.273 -17.536 -6.287 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.724 -16.661 -6.342 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.184 -17.565 -4.880 1.00 0.00 H new ATOM 529 N THR A 35 -0.934 -14.624 -4.974 1.00 0.00 N ATOM 530 CA THR A 35 0.180 -14.212 -5.817 1.00 0.00 C ATOM 531 C THR A 35 0.964 -15.396 -6.365 1.00 0.00 C ATOM 532 O THR A 35 0.915 -16.487 -5.800 1.00 0.00 O ATOM 533 CB THR A 35 1.103 -13.302 -5.035 1.00 0.00 C ATOM 534 OG1 THR A 35 1.978 -12.794 -6.027 1.00 0.00 O ATOM 535 CG2 THR A 35 1.896 -14.014 -3.927 1.00 0.00 C ATOM 0 H THR A 35 -0.658 -15.183 -4.166 1.00 0.00 H new ATOM 0 HA THR A 35 -0.238 -13.678 -6.671 1.00 0.00 H new ATOM 0 HB THR A 35 0.537 -12.540 -4.499 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.851 -12.603 -5.626 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.533 -13.293 -3.415 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.204 -14.459 -3.212 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.515 -14.796 -4.367 1.00 0.00 H new ATOM 543 N GLY A 36 1.689 -15.167 -7.459 1.00 0.00 N ATOM 544 CA GLY A 36 2.577 -16.188 -8.020 1.00 0.00 C ATOM 545 C GLY A 36 2.792 -16.007 -9.513 1.00 0.00 C ATOM 546 O GLY A 36 3.732 -16.553 -10.074 1.00 0.00 O ATOM 0 H GLY A 36 1.680 -14.287 -7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.539 -16.150 -7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.156 -17.176 -7.833 1.00 0.00 H new ATOM 550 N LYS A 37 1.925 -15.215 -10.154 1.00 0.00 N ATOM 551 CA LYS A 37 2.017 -14.877 -11.577 1.00 0.00 C ATOM 552 C LYS A 37 3.246 -14.018 -11.873 1.00 0.00 C ATOM 553 O LYS A 37 3.933 -14.248 -12.860 1.00 0.00 O ATOM 554 CB LYS A 37 0.731 -14.181 -12.071 1.00 0.00 C ATOM 555 CG LYS A 37 0.134 -13.173 -11.052 1.00 0.00 C ATOM 556 CD LYS A 37 -0.890 -13.848 -10.118 1.00 0.00 C ATOM 557 CE LYS A 37 -2.301 -13.730 -10.680 1.00 0.00 C ATOM 558 NZ LYS A 37 -2.968 -12.577 -10.053 1.00 0.00 N ATOM 0 H LYS A 37 1.126 -14.784 -9.689 1.00 0.00 H new ATOM 0 HA LYS A 37 2.127 -15.813 -12.124 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.947 -13.657 -13.002 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.018 -14.940 -12.298 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.937 -12.737 -10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.346 -12.354 -11.588 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.633 -14.899 -9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.848 -13.386 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.267 -13.603 -11.762 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.863 -14.643 -10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.933 -12.487 -10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.010 -12.718 -9.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.433 -11.710 -10.262 1.00 0.00 H new ATOM 572 N SER A 38 3.479 -13.004 -11.035 1.00 0.00 N ATOM 573 CA SER A 38 4.602 -12.079 -11.176 1.00 0.00 C ATOM 574 C SER A 38 5.309 -11.830 -9.863 1.00 0.00 C ATOM 575 O SER A 38 6.501 -12.096 -9.749 1.00 0.00 O ATOM 576 CB SER A 38 4.109 -10.769 -11.759 1.00 0.00 C ATOM 577 OG SER A 38 3.102 -10.143 -10.949 1.00 0.00 O ATOM 0 H SER A 38 2.885 -12.802 -10.231 1.00 0.00 H new ATOM 0 HA SER A 38 5.327 -12.538 -11.848 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.952 -10.088 -11.874 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.707 -10.949 -12.756 1.00 0.00 H new ATOM 0 HG SER A 38 2.249 -10.140 -11.432 1.00 0.00 H new ATOM 583 N GLY A 39 4.572 -11.328 -8.880 1.00 0.00 N ATOM 584 CA GLY A 39 5.122 -11.000 -7.580 1.00 0.00 C ATOM 585 C GLY A 39 4.075 -10.417 -6.659 1.00 0.00 C ATOM 586 O GLY A 39 4.258 -10.518 -5.445 1.00 0.00 O ATOM 0 H GLY A 39 3.574 -11.138 -8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.545 -11.897 -7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.938 -10.288 -7.700 1.00 0.00 H new ATOM 590 N ASP A 40 3.010 -9.842 -7.239 1.00 0.00 N ATOM 591 CA ASP A 40 2.037 -9.086 -6.475 1.00 0.00 C ATOM 592 C ASP A 40 0.663 -9.759 -6.636 1.00 0.00 C ATOM 593 O ASP A 40 0.379 -10.382 -7.675 1.00 0.00 O ATOM 594 CB ASP A 40 2.001 -7.581 -6.799 1.00 0.00 C ATOM 595 CG ASP A 40 3.379 -6.921 -7.127 1.00 0.00 C ATOM 596 OD1 ASP A 40 4.495 -7.416 -6.860 1.00 0.00 O ATOM 597 OD2 ASP A 40 3.339 -5.742 -7.466 1.00 0.00 O ATOM 0 H ASP A 40 2.811 -9.893 -8.238 1.00 0.00 H new ATOM 0 HA ASP A 40 2.342 -9.109 -5.429 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.335 -7.428 -7.648 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.561 -7.057 -5.950 1.00 0.00 H new ATOM 602 N PRO A 41 -0.191 -9.652 -5.611 1.00 0.00 N ATOM 603 CA PRO A 41 0.094 -9.044 -4.301 1.00 0.00 C ATOM 604 C PRO A 41 1.135 -9.772 -3.456 1.00 0.00 C ATOM 605 O PRO A 41 1.691 -10.774 -3.864 1.00 0.00 O ATOM 606 CB PRO A 41 -1.239 -9.013 -3.569 1.00 0.00 C ATOM 607 CG PRO A 41 -1.965 -10.202 -4.172 1.00 0.00 C ATOM 608 CD PRO A 41 -1.494 -10.278 -5.611 1.00 0.00 C ATOM 0 HA PRO A 41 0.533 -8.060 -4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.114 -9.116 -2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.775 -8.079 -3.739 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.730 -11.120 -3.633 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.046 -10.070 -4.119 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.436 -11.311 -5.953 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.181 -9.759 -6.279 1.00 0.00 H new ATOM 616 N HIS A 42 1.452 -9.268 -2.278 1.00 0.00 N ATOM 617 CA HIS A 42 2.466 -9.922 -1.441 1.00 0.00 C ATOM 618 C HIS A 42 1.855 -10.248 -0.091 1.00 0.00 C ATOM 619 O HIS A 42 0.963 -9.533 0.373 1.00 0.00 O ATOM 620 CB HIS A 42 3.693 -9.020 -1.285 1.00 0.00 C ATOM 621 CG HIS A 42 3.945 -8.069 -2.428 1.00 0.00 C ATOM 622 ND1 HIS A 42 3.352 -6.823 -2.558 1.00 0.00 N ATOM 623 CD2 HIS A 42 4.765 -8.310 -3.499 1.00 0.00 C ATOM 624 CE1 HIS A 42 3.831 -6.311 -3.719 1.00 0.00 C ATOM 625 NE2 HIS A 42 4.727 -7.167 -4.271 1.00 0.00 N ATOM 0 H HIS A 42 1.038 -8.427 -1.877 1.00 0.00 H new ATOM 0 HA HIS A 42 2.795 -10.846 -1.916 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.582 -8.440 -0.369 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.573 -9.651 -1.158 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.326 -9.211 -3.698 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.541 -5.361 -4.142 1.00 0.00 H new ATOM 0 HE2 HIS A 42 5.278 -6.995 -5.112 1.00 0.00 H new ATOM 634 N ARG A 43 2.379 -11.282 0.562 1.00 0.00 N ATOM 635 CA ARG A 43 1.916 -11.686 1.892 1.00 0.00 C ATOM 636 C ARG A 43 2.477 -10.752 2.954 1.00 0.00 C ATOM 637 O ARG A 43 3.673 -10.806 3.235 1.00 0.00 O ATOM 638 CB ARG A 43 2.373 -13.125 2.169 1.00 0.00 C ATOM 639 CG ARG A 43 1.320 -14.132 1.703 1.00 0.00 C ATOM 640 CD ARG A 43 0.132 -14.250 2.688 1.00 0.00 C ATOM 641 NE ARG A 43 0.562 -14.592 4.052 1.00 0.00 N ATOM 642 CZ ARG A 43 1.101 -15.747 4.410 1.00 0.00 C ATOM 643 NH1 ARG A 43 1.229 -16.739 3.569 1.00 0.00 N ATOM 644 NH2 ARG A 43 1.526 -15.930 5.621 1.00 0.00 N ATOM 0 H ARG A 43 3.131 -11.862 0.190 1.00 0.00 H new ATOM 0 HA ARG A 43 0.828 -11.633 1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.316 -13.316 1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.558 -13.253 3.236 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.947 -13.834 0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.786 -15.110 1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.414 -13.307 2.709 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.560 -15.011 2.327 1.00 0.00 H new ATOM 0 HE ARG A 43 0.435 -13.886 4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.909 -16.636 2.606 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.649 -17.617 3.876 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.447 -15.180 6.308 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.940 -16.824 5.887 1.00 0.00 H new ATOM 658 N TYR A 44 1.614 -9.940 3.546 1.00 0.00 N ATOM 659 CA TYR A 44 2.009 -9.097 4.663 1.00 0.00 C ATOM 660 C TYR A 44 1.837 -9.864 5.989 1.00 0.00 C ATOM 661 O TYR A 44 0.822 -10.515 6.262 1.00 0.00 O ATOM 662 CB TYR A 44 1.219 -7.789 4.578 1.00 0.00 C ATOM 663 CG TYR A 44 1.609 -6.715 5.578 1.00 0.00 C ATOM 664 CD1 TYR A 44 1.505 -6.922 6.972 1.00 0.00 C ATOM 665 CD2 TYR A 44 2.084 -5.485 5.102 1.00 0.00 C ATOM 666 CE1 TYR A 44 1.953 -5.965 7.879 1.00 0.00 C ATOM 667 CE2 TYR A 44 2.522 -4.498 5.995 1.00 0.00 C ATOM 668 CZ TYR A 44 2.467 -4.760 7.378 1.00 0.00 C ATOM 669 OH TYR A 44 2.883 -3.834 8.265 1.00 0.00 O ATOM 0 H TYR A 44 0.636 -9.847 3.271 1.00 0.00 H new ATOM 0 HA TYR A 44 3.066 -8.835 4.620 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.333 -7.382 3.573 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.161 -8.016 4.711 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.070 -7.839 7.341 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.113 -5.297 4.039 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.906 -6.146 8.943 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.895 -3.553 5.629 1.00 0.00 H new ATOM 0 HH TYR A 44 3.483 -4.252 8.917 1.00 0.00 H new ATOM 679 N PHE A 45 2.806 -9.724 6.876 1.00 0.00 N ATOM 680 CA PHE A 45 2.681 -10.210 8.246 1.00 0.00 C ATOM 681 C PHE A 45 3.103 -9.120 9.219 1.00 0.00 C ATOM 682 O PHE A 45 4.117 -8.466 8.960 1.00 0.00 O ATOM 683 CB PHE A 45 3.564 -11.452 8.332 1.00 0.00 C ATOM 684 CG PHE A 45 3.717 -12.002 9.731 1.00 0.00 C ATOM 685 CD1 PHE A 45 4.566 -11.353 10.655 1.00 0.00 C ATOM 686 CD2 PHE A 45 3.025 -13.169 10.105 1.00 0.00 C ATOM 687 CE1 PHE A 45 4.692 -11.844 11.966 1.00 0.00 C ATOM 688 CE2 PHE A 45 3.198 -13.686 11.404 1.00 0.00 C ATOM 689 CZ PHE A 45 4.018 -13.019 12.338 1.00 0.00 C ATOM 0 H PHE A 45 3.698 -9.274 6.673 1.00 0.00 H new ATOM 0 HA PHE A 45 1.655 -10.467 8.511 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.145 -12.228 7.691 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.551 -11.211 7.937 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.120 -10.477 10.353 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.369 -13.663 9.404 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.305 -11.320 12.685 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.699 -14.601 11.687 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.128 -13.411 13.338 1.00 0.00 H new ATOM 699 N ALA A 46 2.347 -8.971 10.322 1.00 0.00 N ATOM 700 CA ALA A 46 2.660 -8.056 11.427 1.00 0.00 C ATOM 701 C ALA A 46 4.154 -8.033 11.819 1.00 0.00 C ATOM 702 O ALA A 46 4.685 -8.904 12.504 1.00 0.00 O ATOM 703 CB ALA A 46 1.824 -8.395 12.653 1.00 0.00 C ATOM 0 H ALA A 46 1.485 -9.495 10.470 1.00 0.00 H new ATOM 0 HA ALA A 46 2.414 -7.060 11.059 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.069 -7.707 13.462 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.766 -8.305 12.408 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.038 -9.416 12.968 1.00 0.00 H new ATOM 709 N GLY A 47 4.865 -7.004 11.384 1.00 0.00 N ATOM 710 CA GLY A 47 6.321 -6.977 11.541 1.00 0.00 C ATOM 711 C GLY A 47 6.862 -5.570 11.437 1.00 0.00 C ATOM 712 O GLY A 47 7.724 -5.195 12.228 1.00 0.00 O ATOM 0 H GLY A 47 4.469 -6.184 10.925 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.592 -7.402 12.508 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.782 -7.603 10.777 1.00 0.00 H new ATOM 716 N ASP A 48 6.214 -4.732 10.620 1.00 0.00 N ATOM 717 CA ASP A 48 6.585 -3.318 10.514 1.00 0.00 C ATOM 718 C ASP A 48 6.054 -2.499 11.712 1.00 0.00 C ATOM 719 O ASP A 48 6.107 -1.283 11.778 1.00 0.00 O ATOM 720 CB ASP A 48 6.088 -2.782 9.176 1.00 0.00 C ATOM 721 CG ASP A 48 6.746 -1.428 8.924 1.00 0.00 C ATOM 722 OD1 ASP A 48 7.836 -1.411 8.322 1.00 0.00 O ATOM 723 OD2 ASP A 48 6.174 -0.390 9.275 1.00 0.00 O ATOM 0 H ASP A 48 5.433 -5.008 10.025 1.00 0.00 H new ATOM 0 HA ASP A 48 7.670 -3.220 10.549 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.334 -3.478 8.374 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.003 -2.680 9.188 1.00 0.00 H new ATOM 728 N HIS A 49 5.497 -3.164 12.725 1.00 0.00 N ATOM 729 CA HIS A 49 4.927 -2.475 13.888 1.00 0.00 C ATOM 730 C HIS A 49 3.766 -1.541 13.475 1.00 0.00 C ATOM 731 O HIS A 49 3.626 -0.416 13.970 1.00 0.00 O ATOM 732 CB HIS A 49 6.056 -1.713 14.630 1.00 0.00 C ATOM 733 CG HIS A 49 6.924 -2.545 15.515 1.00 0.00 C ATOM 734 ND1 HIS A 49 7.338 -2.111 16.759 1.00 0.00 N ATOM 735 CD2 HIS A 49 7.452 -3.782 15.243 1.00 0.00 C ATOM 736 CE1 HIS A 49 8.110 -3.102 17.256 1.00 0.00 C ATOM 737 NE2 HIS A 49 8.192 -4.125 16.361 1.00 0.00 N ATOM 0 H HIS A 49 5.427 -4.181 12.765 1.00 0.00 H new ATOM 0 HA HIS A 49 4.498 -3.209 14.570 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.687 -1.224 13.888 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.603 -0.926 15.232 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.318 -4.366 14.344 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.592 -3.085 18.222 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.710 -4.994 16.492 1.00 0.00 H new ATOM 746 N ILE A 50 2.834 -2.083 12.693 1.00 0.00 N ATOM 747 CA ILE A 50 1.713 -1.302 12.179 1.00 0.00 C ATOM 748 C ILE A 50 0.436 -1.936 12.673 1.00 0.00 C ATOM 749 O ILE A 50 0.019 -2.977 12.177 1.00 0.00 O ATOM 750 CB ILE A 50 1.717 -1.181 10.650 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.098 -0.801 10.128 1.00 0.00 C ATOM 752 CG2 ILE A 50 0.727 -0.069 10.272 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.093 -0.721 8.596 1.00 0.00 C ATOM 0 H ILE A 50 2.834 -3.061 12.402 1.00 0.00 H new ATOM 0 HA ILE A 50 1.801 -0.281 12.549 1.00 0.00 H new ATOM 0 HB ILE A 50 1.440 -2.140 10.212 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.399 0.159 10.547 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.832 -1.537 10.457 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.704 0.045 9.188 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.269 -0.331 10.630 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.042 0.869 10.729 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.087 -0.449 8.243 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.814 -1.690 8.182 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.374 0.032 8.273 1.00 0.00 H new ATOM 765 N ARG A 51 -0.143 -1.337 13.710 1.00 0.00 N ATOM 766 CA ARG A 51 -1.428 -1.805 14.244 1.00 0.00 C ATOM 767 C ARG A 51 -2.608 -1.385 13.391 1.00 0.00 C ATOM 768 O ARG A 51 -3.650 -2.007 13.496 1.00 0.00 O ATOM 769 CB ARG A 51 -1.629 -1.312 15.678 1.00 0.00 C ATOM 770 CG ARG A 51 -1.592 0.226 15.786 1.00 0.00 C ATOM 771 CD ARG A 51 -1.470 0.650 17.243 1.00 0.00 C ATOM 772 NE ARG A 51 -0.059 0.654 17.675 1.00 0.00 N ATOM 773 CZ ARG A 51 0.361 1.179 18.812 1.00 0.00 C ATOM 774 NH1 ARG A 51 -0.457 1.791 19.630 1.00 0.00 N ATOM 775 NH2 ARG A 51 1.619 1.129 19.136 1.00 0.00 N ATOM 0 H ARG A 51 0.250 -0.532 14.198 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.387 -2.894 14.231 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.586 -1.676 16.053 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.854 -1.736 16.316 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.750 0.617 15.214 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.497 0.650 15.351 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.897 1.644 17.373 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.045 -0.029 17.873 1.00 0.00 H new ATOM 0 HE ARG A 51 0.633 0.226 17.059 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.446 1.872 19.396 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.105 2.187 20.502 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.289 0.682 18.510 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.936 1.537 20.016 1.00 0.00 H new ATOM 789 N TRP A 52 -2.445 -0.289 12.630 1.00 0.00 N ATOM 790 CA TRP A 52 -3.483 0.282 11.754 1.00 0.00 C ATOM 791 C TRP A 52 -4.691 0.802 12.522 1.00 0.00 C ATOM 792 O TRP A 52 -5.811 0.684 12.039 1.00 0.00 O ATOM 793 CB TRP A 52 -3.892 -0.762 10.708 1.00 0.00 C ATOM 794 CG TRP A 52 -2.815 -1.188 9.802 1.00 0.00 C ATOM 795 CD1 TRP A 52 -1.982 -2.242 9.968 1.00 0.00 C ATOM 796 CD2 TRP A 52 -2.483 -0.575 8.556 1.00 0.00 C ATOM 797 NE1 TRP A 52 -1.123 -2.298 8.886 1.00 0.00 N ATOM 798 CE2 TRP A 52 -1.379 -1.276 8.004 1.00 0.00 C ATOM 799 CE3 TRP A 52 -3.016 0.520 7.870 1.00 0.00 C ATOM 800 CZ2 TRP A 52 -0.766 -0.864 6.826 1.00 0.00 C ATOM 801 CZ3 TRP A 52 -2.450 0.906 6.668 1.00 0.00 C ATOM 802 CH2 TRP A 52 -1.347 0.217 6.148 1.00 0.00 C ATOM 0 H TRP A 52 -1.570 0.235 12.606 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.057 1.153 11.255 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.280 -1.640 11.225 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.709 -0.356 10.112 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.987 -2.925 10.805 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.397 -3.003 8.760 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.860 1.059 8.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.119 -1.355 6.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.862 1.745 6.127 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.933 0.527 5.200 1.00 0.00 H new ATOM 813 N GLY A 53 -4.448 1.341 13.732 1.00 0.00 N ATOM 814 CA GLY A 53 -5.525 1.779 14.637 1.00 0.00 C ATOM 815 C GLY A 53 -6.679 0.776 14.773 1.00 0.00 C ATOM 816 O GLY A 53 -7.825 1.185 14.962 1.00 0.00 O ATOM 0 H GLY A 53 -3.510 1.484 14.106 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.102 1.965 15.624 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.923 2.728 14.277 1.00 0.00 H new ATOM 820 N VAL A 54 -6.376 -0.521 14.653 1.00 0.00 N ATOM 821 CA VAL A 54 -7.377 -1.580 14.649 1.00 0.00 C ATOM 822 C VAL A 54 -6.802 -2.791 15.363 1.00 0.00 C ATOM 823 O VAL A 54 -5.603 -3.024 15.324 1.00 0.00 O ATOM 824 CB VAL A 54 -7.843 -1.940 13.204 1.00 0.00 C ATOM 825 CG1 VAL A 54 -6.799 -2.737 12.423 1.00 0.00 C ATOM 826 CG2 VAL A 54 -9.132 -2.770 13.250 1.00 0.00 C ATOM 0 H VAL A 54 -5.420 -0.862 14.555 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.266 -1.231 15.174 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.005 -0.989 12.696 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.181 -2.957 11.426 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.883 -2.153 12.340 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.588 -3.670 12.945 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.445 -3.013 12.235 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.952 -3.691 13.805 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.917 -2.196 13.743 1.00 0.00 H new ATOM 836 N ASN A 55 -7.678 -3.639 15.873 1.00 0.00 N ATOM 837 CA ASN A 55 -7.323 -4.870 16.566 1.00 0.00 C ATOM 838 C ASN A 55 -7.153 -6.044 15.595 1.00 0.00 C ATOM 839 O ASN A 55 -6.210 -6.815 15.698 1.00 0.00 O ATOM 840 CB ASN A 55 -8.414 -5.255 17.566 1.00 0.00 C ATOM 841 CG ASN A 55 -8.990 -4.050 18.282 1.00 0.00 C ATOM 842 OD1 ASN A 55 -8.604 -3.674 19.370 1.00 0.00 O ATOM 843 ND2 ASN A 55 -9.937 -3.390 17.649 1.00 0.00 N ATOM 0 H ASN A 55 -8.685 -3.488 15.816 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.378 -4.677 17.074 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.213 -5.781 17.044 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.003 -5.948 18.300 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.350 -2.559 18.072 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.258 -3.710 16.735 1.00 0.00 H new ATOM 850 N ASN A 56 -8.075 -6.201 14.634 1.00 0.00 N ATOM 851 CA ASN A 56 -7.995 -7.280 13.635 1.00 0.00 C ATOM 852 C ASN A 56 -6.595 -7.435 13.027 1.00 0.00 C ATOM 853 O ASN A 56 -6.098 -8.566 12.925 1.00 0.00 O ATOM 854 CB ASN A 56 -8.979 -6.975 12.494 1.00 0.00 C ATOM 855 CG ASN A 56 -10.360 -7.535 12.771 1.00 0.00 C ATOM 856 OD1 ASN A 56 -11.126 -6.974 13.536 1.00 0.00 O ATOM 857 ND2 ASN A 56 -10.680 -8.675 12.197 1.00 0.00 N ATOM 0 H ASN A 56 -8.887 -5.593 14.526 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.239 -8.209 14.150 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.047 -5.896 12.352 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.597 -7.395 11.564 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.584 -9.106 12.389 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.024 -9.127 11.560 1.00 0.00 H new ATOM 864 N CYS A 57 -6.000 -6.289 12.653 1.00 0.00 N ATOM 865 CA CYS A 57 -4.614 -6.232 12.214 1.00 0.00 C ATOM 866 C CYS A 57 -3.575 -6.188 13.318 1.00 0.00 C ATOM 867 O CYS A 57 -2.529 -6.773 13.055 1.00 0.00 O ATOM 868 CB CYS A 57 -4.387 -5.000 11.356 1.00 0.00 C ATOM 869 SG CYS A 57 -5.058 -5.232 9.695 1.00 0.00 S ATOM 0 H CYS A 57 -6.473 -5.385 12.650 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.476 -7.167 11.672 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.857 -4.135 11.824 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.320 -4.788 11.294 1.00 0.00 H new ATOM 874 N ASP A 58 -3.862 -5.551 14.475 1.00 0.00 N ATOM 875 CA ASP A 58 -3.000 -5.519 15.682 1.00 0.00 C ATOM 876 C ASP A 58 -2.371 -6.858 16.041 1.00 0.00 C ATOM 877 O ASP A 58 -1.229 -6.855 16.499 1.00 0.00 O ATOM 878 CB ASP A 58 -3.762 -5.084 16.941 1.00 0.00 C ATOM 879 CG ASP A 58 -2.943 -5.181 18.220 1.00 0.00 C ATOM 880 OD1 ASP A 58 -1.816 -4.633 18.205 1.00 0.00 O ATOM 881 OD2 ASP A 58 -3.518 -5.722 19.191 1.00 0.00 O ATOM 0 H ASP A 58 -4.728 -5.027 14.600 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.229 -4.802 15.400 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.098 -4.055 16.813 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.655 -5.701 17.045 1.00 0.00 H new ATOM 886 N LYS A 59 -3.092 -7.964 15.770 1.00 0.00 N ATOM 887 CA LYS A 59 -2.537 -9.321 15.851 1.00 0.00 C ATOM 888 C LYS A 59 -1.096 -9.439 15.294 1.00 0.00 C ATOM 889 O LYS A 59 -0.663 -8.755 14.375 1.00 0.00 O ATOM 890 CB LYS A 59 -3.450 -10.319 15.110 1.00 0.00 C ATOM 891 CG LYS A 59 -4.795 -10.573 15.807 1.00 0.00 C ATOM 892 CD LYS A 59 -5.465 -11.835 15.240 1.00 0.00 C ATOM 893 CE LYS A 59 -5.894 -11.618 13.781 1.00 0.00 C ATOM 894 NZ LYS A 59 -6.038 -12.917 13.077 1.00 0.00 N ATOM 0 H LYS A 59 -4.072 -7.937 15.490 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.490 -9.560 16.914 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.639 -9.944 14.104 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.923 -11.267 15.003 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.640 -10.687 16.880 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.451 -9.713 15.670 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.774 -12.676 15.299 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.334 -12.093 15.845 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.839 -11.076 13.752 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.157 -11.001 13.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.328 -12.748 12.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.128 -13.421 13.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.759 -13.494 13.556 1.00 0.00 H new ATOM 908 N ALA A 60 -0.417 -10.487 15.739 1.00 0.00 N ATOM 909 CA ALA A 60 0.962 -10.702 15.324 1.00 0.00 C ATOM 910 C ALA A 60 1.040 -11.828 14.296 1.00 0.00 C ATOM 911 O ALA A 60 1.618 -11.652 13.233 1.00 0.00 O ATOM 912 CB ALA A 60 1.824 -10.977 16.545 1.00 0.00 C ATOM 0 H ALA A 60 -0.790 -11.191 16.376 1.00 0.00 H new ATOM 0 HA ALA A 60 1.345 -9.804 14.840 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.856 -11.138 16.233 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.778 -10.124 17.222 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.457 -11.867 17.057 1.00 0.00 H new ATOM 918 N ASP A 61 0.349 -12.944 14.560 1.00 0.00 N ATOM 919 CA ASP A 61 0.311 -14.123 13.664 1.00 0.00 C ATOM 920 C ASP A 61 -0.900 -14.044 12.682 1.00 0.00 C ATOM 921 O ASP A 61 -1.678 -14.959 12.430 1.00 0.00 O ATOM 922 CB ASP A 61 0.343 -15.413 14.510 1.00 0.00 C ATOM 923 CG ASP A 61 0.865 -16.631 13.698 1.00 0.00 C ATOM 924 OD1 ASP A 61 0.235 -17.052 12.700 1.00 0.00 O ATOM 925 OD2 ASP A 61 1.945 -17.117 14.089 1.00 0.00 O ATOM 0 H ASP A 61 -0.207 -13.062 15.407 1.00 0.00 H new ATOM 0 HA ASP A 61 1.196 -14.136 13.028 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.979 -15.259 15.381 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.659 -15.628 14.881 1.00 0.00 H new ATOM 930 N ALA A 62 -1.287 -12.829 12.327 1.00 0.00 N ATOM 931 CA ALA A 62 -2.389 -12.693 11.384 1.00 0.00 C ATOM 932 C ALA A 62 -1.939 -12.897 9.928 1.00 0.00 C ATOM 933 O ALA A 62 -0.774 -13.137 9.611 1.00 0.00 O ATOM 934 CB ALA A 62 -3.024 -11.325 11.578 1.00 0.00 C ATOM 0 H ALA A 62 -0.877 -11.956 12.659 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.122 -13.475 11.584 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.852 -11.206 10.879 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.395 -11.238 12.599 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.280 -10.549 11.395 1.00 0.00 H new ATOM 940 N ILE A 63 -2.882 -12.693 9.010 1.00 0.00 N ATOM 941 CA ILE A 63 -2.619 -12.862 7.581 1.00 0.00 C ATOM 942 C ILE A 63 -3.009 -11.605 6.836 1.00 0.00 C ATOM 943 O ILE A 63 -4.188 -11.418 6.521 1.00 0.00 O ATOM 944 CB ILE A 63 -3.365 -14.077 7.016 1.00 0.00 C ATOM 945 CG1 ILE A 63 -2.954 -15.382 7.730 1.00 0.00 C ATOM 946 CG2 ILE A 63 -3.082 -14.187 5.483 1.00 0.00 C ATOM 947 CD1 ILE A 63 -4.051 -16.452 7.640 1.00 0.00 C ATOM 0 H ILE A 63 -3.837 -12.410 9.230 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.552 -13.040 7.447 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.432 -13.936 7.187 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.035 -15.765 7.286 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.738 -15.171 8.777 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.610 -15.049 5.076 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.427 -13.282 4.983 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.011 -14.307 5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.722 -17.355 8.155 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.962 -16.079 8.108 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.249 -16.683 6.593 1.00 0.00 H new ATOM 959 N LEU A 64 -2.026 -10.754 6.564 1.00 0.00 N ATOM 960 CA LEU A 64 -2.252 -9.513 5.822 1.00 0.00 C ATOM 961 C LEU A 64 -1.744 -9.666 4.393 1.00 0.00 C ATOM 962 O LEU A 64 -1.073 -10.644 4.043 1.00 0.00 O ATOM 963 CB LEU A 64 -1.619 -8.329 6.588 1.00 0.00 C ATOM 964 CG LEU A 64 -2.350 -7.773 7.810 1.00 0.00 C ATOM 965 CD1 LEU A 64 -3.339 -6.717 7.326 1.00 0.00 C ATOM 966 CD2 LEU A 64 -3.065 -8.860 8.606 1.00 0.00 C ATOM 0 H LEU A 64 -1.057 -10.900 6.847 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.317 -9.296 5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.624 -8.637 6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.486 -7.510 5.881 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.620 -7.334 8.490 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.876 -6.303 8.180 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.799 -5.920 6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.050 -7.173 6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.568 -8.412 9.463 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.801 -9.352 7.970 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.338 -9.593 8.955 1.00 0.00 H new ATOM 978 N TRP A 65 -2.034 -8.667 3.576 1.00 0.00 N ATOM 979 CA TRP A 65 -1.607 -8.625 2.190 1.00 0.00 C ATOM 980 C TRP A 65 -1.357 -7.205 1.769 1.00 0.00 C ATOM 981 O TRP A 65 -2.178 -6.349 2.075 1.00 0.00 O ATOM 982 CB TRP A 65 -2.684 -9.248 1.314 1.00 0.00 C ATOM 983 CG TRP A 65 -2.647 -10.741 1.352 1.00 0.00 C ATOM 984 CD1 TRP A 65 -3.253 -11.538 2.266 1.00 0.00 C ATOM 985 CD2 TRP A 65 -1.949 -11.632 0.440 1.00 0.00 C ATOM 986 NE1 TRP A 65 -2.994 -12.861 1.955 1.00 0.00 N ATOM 987 CE2 TRP A 65 -2.206 -12.971 0.827 1.00 0.00 C ATOM 988 CE3 TRP A 65 -1.123 -11.440 -0.680 1.00 0.00 C ATOM 989 CZ2 TRP A 65 -1.671 -14.064 0.126 1.00 0.00 C ATOM 990 CZ3 TRP A 65 -0.541 -12.513 -1.380 1.00 0.00 C ATOM 991 CH2 TRP A 65 -0.836 -13.836 -0.987 1.00 0.00 C ATOM 0 H TRP A 65 -2.579 -7.853 3.861 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.680 -9.188 2.080 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.664 -8.902 1.644 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.555 -8.909 0.286 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.843 -11.195 3.103 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.342 -13.655 2.492 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.928 -10.432 -1.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.898 -15.073 0.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.125 -12.326 -2.210 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.424 -14.670 -1.536 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.231 -6.980 1.097 1.00 0.00 N ATOM 1003 CA GLU A 66 0.167 -5.676 0.572 1.00 0.00 C ATOM 1004 C GLU A 66 0.141 -5.659 -0.960 1.00 0.00 C ATOM 1005 O GLU A 66 0.625 -6.587 -1.631 1.00 0.00 O ATOM 1006 CB GLU A 66 1.541 -5.252 1.116 1.00 0.00 C ATOM 1007 CG GLU A 66 2.588 -6.359 0.972 1.00 0.00 C ATOM 1008 CD GLU A 66 3.935 -5.971 1.563 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.053 -5.995 2.805 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.812 -5.661 0.723 1.00 0.00 O ATOM 0 H GLU A 66 0.446 -7.716 0.898 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.563 -4.944 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.881 -4.362 0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.445 -4.980 2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.226 -7.262 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.714 -6.599 -0.084 1.00 0.00 H new ATOM 1017 N TYR A 67 -0.279 -4.520 -1.521 1.00 0.00 N ATOM 1018 CA TYR A 67 -0.346 -4.377 -2.980 1.00 0.00 C ATOM 1019 C TYR A 67 -0.124 -2.950 -3.458 1.00 0.00 C ATOM 1020 O TYR A 67 -0.585 -2.029 -2.805 1.00 0.00 O ATOM 1021 CB TYR A 67 -1.697 -4.850 -3.502 1.00 0.00 C ATOM 1022 CG TYR A 67 -1.823 -4.902 -5.004 1.00 0.00 C ATOM 1023 CD1 TYR A 67 -1.340 -5.999 -5.727 1.00 0.00 C ATOM 1024 CD2 TYR A 67 -2.337 -3.807 -5.694 1.00 0.00 C ATOM 1025 CE1 TYR A 67 -1.377 -6.031 -7.132 1.00 0.00 C ATOM 1026 CE2 TYR A 67 -2.351 -3.808 -7.103 1.00 0.00 C ATOM 1027 CZ TYR A 67 -1.897 -4.927 -7.826 1.00 0.00 C ATOM 1028 OH TYR A 67 -2.089 -4.990 -9.171 1.00 0.00 O ATOM 0 H TYR A 67 -0.573 -3.696 -0.997 1.00 0.00 H new ATOM 0 HA TYR A 67 0.463 -4.994 -3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.895 -5.845 -3.102 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.471 -4.189 -3.111 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.929 -6.842 -5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.724 -2.958 -5.150 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.011 -6.893 -7.670 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.714 -2.941 -7.634 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.667 -4.251 -9.454 1.00 0.00 H new ATOM 1038 N PRO A 68 0.650 -2.715 -4.525 1.00 0.00 N ATOM 1039 CA PRO A 68 0.991 -1.377 -5.013 1.00 0.00 C ATOM 1040 C PRO A 68 -0.216 -0.634 -5.569 1.00 0.00 C ATOM 1041 O PRO A 68 -1.227 -1.210 -5.932 1.00 0.00 O ATOM 1042 CB PRO A 68 2.041 -1.618 -6.102 1.00 0.00 C ATOM 1043 CG PRO A 68 1.762 -3.038 -6.574 1.00 0.00 C ATOM 1044 CD PRO A 68 1.273 -3.734 -5.330 1.00 0.00 C ATOM 0 HA PRO A 68 1.360 -0.744 -4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.943 -0.900 -6.916 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.053 -1.519 -5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.013 -3.058 -7.365 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.659 -3.512 -6.972 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.564 -4.524 -5.578 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.099 -4.203 -4.795 1.00 0.00 H new ATOM 1052 N ILE A 69 -0.116 0.675 -5.708 1.00 0.00 N ATOM 1053 CA ILE A 69 -1.223 1.461 -6.256 1.00 0.00 C ATOM 1054 C ILE A 69 -0.670 2.749 -6.863 1.00 0.00 C ATOM 1055 O ILE A 69 0.377 3.257 -6.459 1.00 0.00 O ATOM 1056 CB ILE A 69 -2.276 1.748 -5.144 1.00 0.00 C ATOM 1057 CG1 ILE A 69 -3.360 2.718 -5.675 1.00 0.00 C ATOM 1058 CG2 ILE A 69 -1.626 2.365 -3.888 1.00 0.00 C ATOM 1059 CD1 ILE A 69 -4.490 2.945 -4.694 1.00 0.00 C ATOM 0 H ILE A 69 0.709 1.219 -5.454 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.728 0.901 -7.044 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.726 0.794 -4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.896 3.675 -5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.769 2.322 -6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.392 2.551 -3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.883 1.676 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.143 3.305 -4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.215 3.634 -5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.978 1.995 -4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.092 3.370 -3.772 1.00 0.00 H new ATOM 1071 N TYR A 70 -1.446 3.365 -7.743 1.00 0.00 N ATOM 1072 CA TYR A 70 -1.131 4.641 -8.345 1.00 0.00 C ATOM 1073 C TYR A 70 -2.020 5.728 -7.764 1.00 0.00 C ATOM 1074 O TYR A 70 -3.236 5.667 -7.910 1.00 0.00 O ATOM 1075 CB TYR A 70 -1.299 4.512 -9.851 1.00 0.00 C ATOM 1076 CG TYR A 70 -0.295 3.555 -10.464 1.00 0.00 C ATOM 1077 CD1 TYR A 70 -0.397 2.186 -10.183 1.00 0.00 C ATOM 1078 CD2 TYR A 70 0.708 4.018 -11.344 1.00 0.00 C ATOM 1079 CE1 TYR A 70 0.532 1.326 -10.758 1.00 0.00 C ATOM 1080 CE2 TYR A 70 1.634 3.143 -11.926 1.00 0.00 C ATOM 1081 CZ TYR A 70 1.515 1.775 -11.650 1.00 0.00 C ATOM 1082 OH TYR A 70 2.411 0.895 -12.164 1.00 0.00 O ATOM 0 H TYR A 70 -2.333 2.977 -8.063 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.101 4.925 -8.129 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.309 4.167 -10.073 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.189 5.494 -10.312 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.176 1.809 -9.537 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.762 5.072 -11.574 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.495 0.276 -10.509 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.418 3.513 -12.570 1.00 0.00 H new ATOM 0 HH TYR A 70 2.664 0.246 -11.475 1.00 0.00 H new ATOM 1092 N TRP A 71 -1.408 6.668 -7.034 1.00 0.00 N ATOM 1093 CA TRP A 71 -2.113 7.859 -6.534 1.00 0.00 C ATOM 1094 C TRP A 71 -2.820 8.660 -7.647 1.00 0.00 C ATOM 1095 O TRP A 71 -2.653 8.420 -8.837 1.00 0.00 O ATOM 1096 CB TRP A 71 -1.123 8.764 -5.771 1.00 0.00 C ATOM 1097 CG TRP A 71 0.208 8.920 -6.432 1.00 0.00 C ATOM 1098 CD1 TRP A 71 0.533 9.794 -7.411 1.00 0.00 C ATOM 1099 CD2 TRP A 71 1.405 8.147 -6.194 1.00 0.00 C ATOM 1100 NE1 TRP A 71 1.852 9.644 -7.770 1.00 0.00 N ATOM 1101 CE2 TRP A 71 2.447 8.665 -7.012 1.00 0.00 C ATOM 1102 CE3 TRP A 71 1.707 7.091 -5.321 1.00 0.00 C ATOM 1103 CZ2 TRP A 71 3.725 8.102 -7.015 1.00 0.00 C ATOM 1104 CZ3 TRP A 71 3.008 6.572 -5.254 1.00 0.00 C ATOM 1105 CH2 TRP A 71 4.013 7.067 -6.116 1.00 0.00 C ATOM 0 H TRP A 71 -0.422 6.628 -6.775 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.897 7.508 -5.863 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.572 9.750 -5.648 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.973 8.356 -4.772 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.147 10.509 -7.849 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.322 10.184 -8.497 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.931 6.674 -4.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.480 8.459 -7.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 3.242 5.793 -4.543 1.00 0.00 H new ATOM 0 HH2 TRP A 71 5.007 6.646 -6.081 1.00 0.00 H new ATOM 1116 N VAL A 72 -3.461 9.758 -7.250 1.00 0.00 N ATOM 1117 CA VAL A 72 -4.112 10.638 -8.229 1.00 0.00 C ATOM 1118 C VAL A 72 -3.137 11.234 -9.257 1.00 0.00 C ATOM 1119 O VAL A 72 -3.472 11.350 -10.427 1.00 0.00 O ATOM 1120 CB VAL A 72 -4.841 11.775 -7.503 1.00 0.00 C ATOM 1121 CG1 VAL A 72 -3.856 12.747 -6.826 1.00 0.00 C ATOM 1122 CG2 VAL A 72 -5.725 12.558 -8.481 1.00 0.00 C ATOM 0 H VAL A 72 -3.545 10.059 -6.279 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.817 10.017 -8.781 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.459 11.316 -6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.413 13.538 -6.323 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.255 12.206 -6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.203 13.187 -7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.235 13.361 -7.948 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.106 12.983 -9.271 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.464 11.888 -8.920 1.00 0.00 H new ATOM 1132 N GLY A 73 -1.946 11.649 -8.803 1.00 0.00 N ATOM 1133 CA GLY A 73 -0.932 12.256 -9.661 1.00 0.00 C ATOM 1134 C GLY A 73 -0.521 11.327 -10.802 1.00 0.00 C ATOM 1135 O GLY A 73 -0.276 11.793 -11.913 1.00 0.00 O ATOM 0 H GLY A 73 -1.663 11.571 -7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.316 13.189 -10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.055 12.508 -9.064 1.00 0.00 H new ATOM 1139 N LYS A 74 -0.371 10.027 -10.498 1.00 0.00 N ATOM 1140 CA LYS A 74 -0.115 9.019 -11.522 1.00 0.00 C ATOM 1141 C LYS A 74 -1.294 8.851 -12.505 1.00 0.00 C ATOM 1142 O LYS A 74 -2.384 9.364 -12.305 1.00 0.00 O ATOM 1143 CB LYS A 74 0.211 7.698 -10.816 1.00 0.00 C ATOM 1144 CG LYS A 74 1.712 7.576 -10.527 1.00 0.00 C ATOM 1145 CD LYS A 74 1.981 6.439 -9.521 1.00 0.00 C ATOM 1146 CE LYS A 74 3.380 5.841 -9.649 1.00 0.00 C ATOM 1147 NZ LYS A 74 3.602 5.285 -11.004 1.00 0.00 N ATOM 0 H LYS A 74 -0.424 9.657 -9.549 1.00 0.00 H new ATOM 0 HA LYS A 74 0.728 9.344 -12.132 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.348 7.635 -9.882 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.111 6.862 -11.437 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.252 7.384 -11.454 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.089 8.518 -10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.847 6.819 -8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.242 5.651 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.127 6.607 -9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.513 5.056 -8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.280 4.498 -10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.700 4.939 -11.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.982 6.027 -11.626 1.00 0.00 H new ATOM 1161 N ASN A 75 -1.056 8.062 -13.551 1.00 0.00 N ATOM 1162 CA ASN A 75 -2.092 7.725 -14.532 1.00 0.00 C ATOM 1163 C ASN A 75 -2.144 6.224 -14.835 1.00 0.00 C ATOM 1164 O ASN A 75 -3.219 5.630 -14.881 1.00 0.00 O ATOM 1165 CB ASN A 75 -1.784 8.539 -15.796 1.00 0.00 C ATOM 1166 CG ASN A 75 -2.932 8.497 -16.803 1.00 0.00 C ATOM 1167 OD1 ASN A 75 -3.616 7.527 -17.043 1.00 0.00 O ATOM 1168 ND2 ASN A 75 -3.128 9.563 -17.520 1.00 0.00 N ATOM 0 H ASN A 75 -0.148 7.640 -13.744 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.077 7.972 -14.135 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -1.583 9.574 -15.520 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.878 8.152 -16.264 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -3.837 9.561 -18.253 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -2.573 10.401 -17.350 1.00 0.00 H new ATOM 1175 N ALA A 76 -0.963 5.628 -15.044 1.00 0.00 N ATOM 1176 CA ALA A 76 -0.883 4.201 -15.324 1.00 0.00 C ATOM 1177 C ALA A 76 -1.434 3.371 -14.147 1.00 0.00 C ATOM 1178 O ALA A 76 -1.666 3.886 -13.048 1.00 0.00 O ATOM 1179 CB ALA A 76 0.580 3.839 -15.672 1.00 0.00 C ATOM 0 H ALA A 76 -0.064 6.110 -15.024 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.510 3.957 -16.182 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.650 2.772 -15.883 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.896 4.404 -16.549 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.226 4.085 -14.829 1.00 0.00 H new ATOM 1185 N GLU A 77 -1.504 2.061 -14.352 1.00 0.00 N ATOM 1186 CA GLU A 77 -1.923 1.124 -13.317 1.00 0.00 C ATOM 1187 C GLU A 77 -1.073 -0.151 -13.373 1.00 0.00 C ATOM 1188 O GLU A 77 -0.566 -0.532 -14.432 1.00 0.00 O ATOM 1189 CB GLU A 77 -3.414 0.833 -13.535 1.00 0.00 C ATOM 1190 CG GLU A 77 -4.054 -0.028 -12.418 1.00 0.00 C ATOM 1191 CD GLU A 77 -5.219 -0.926 -12.898 1.00 0.00 C ATOM 1192 OE1 GLU A 77 -5.180 -1.495 -14.014 1.00 0.00 O ATOM 1193 OE2 GLU A 77 -6.150 -1.112 -12.078 1.00 0.00 O ATOM 0 H GLU A 77 -1.272 1.618 -15.241 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.778 1.547 -12.323 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.952 1.778 -13.605 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.539 0.323 -14.490 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.283 -0.658 -11.974 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.419 0.631 -11.631 1.00 0.00 H new ATOM 1200 N TRP A 78 -0.927 -0.784 -12.206 1.00 0.00 N ATOM 1201 CA TRP A 78 -0.230 -2.038 -12.074 1.00 0.00 C ATOM 1202 C TRP A 78 -0.917 -3.131 -12.894 1.00 0.00 C ATOM 1203 O TRP A 78 -2.132 -3.136 -13.077 1.00 0.00 O ATOM 1204 CB TRP A 78 -0.133 -2.451 -10.595 1.00 0.00 C ATOM 1205 CG TRP A 78 1.136 -3.158 -10.261 1.00 0.00 C ATOM 1206 CD1 TRP A 78 1.327 -4.499 -10.260 1.00 0.00 C ATOM 1207 CD2 TRP A 78 2.407 -2.568 -9.858 1.00 0.00 C ATOM 1208 NE1 TRP A 78 2.646 -4.768 -9.960 1.00 0.00 N ATOM 1209 CE2 TRP A 78 3.346 -3.616 -9.672 1.00 0.00 C ATOM 1210 CE3 TRP A 78 2.875 -1.254 -9.654 1.00 0.00 C ATOM 1211 CZ2 TRP A 78 4.682 -3.369 -9.317 1.00 0.00 C ATOM 1212 CZ3 TRP A 78 4.207 -0.972 -9.288 1.00 0.00 C ATOM 1213 CH2 TRP A 78 5.119 -2.038 -9.127 1.00 0.00 C ATOM 0 H TRP A 78 -1.298 -0.426 -11.326 1.00 0.00 H new ATOM 0 HA TRP A 78 0.780 -1.907 -12.461 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -0.220 -1.562 -9.970 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -0.976 -3.097 -10.350 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.567 -5.240 -10.462 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.053 -5.703 -9.952 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.187 -0.432 -9.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.371 -4.191 -9.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.526 0.048 -9.133 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.146 -1.837 -8.860 1.00 0.00 H new ATOM 1224 N ALA A 79 -0.161 -4.165 -13.227 1.00 0.00 N ATOM 1225 CA ALA A 79 -0.683 -5.325 -13.946 1.00 0.00 C ATOM 1226 C ALA A 79 -0.822 -6.564 -13.047 1.00 0.00 C ATOM 1227 O ALA A 79 -0.670 -6.539 -11.827 1.00 0.00 O ATOM 1228 CB ALA A 79 0.215 -5.585 -15.151 1.00 0.00 C ATOM 0 H ALA A 79 0.833 -4.227 -13.008 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.696 -5.109 -14.286 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.157 -6.448 -15.703 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.213 -4.710 -15.801 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.232 -5.782 -14.811 1.00 0.00 H new ATOM 1234 N LYS A 80 -1.190 -7.688 -13.653 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.328 -8.952 -12.926 1.00 0.00 C ATOM 1236 C LYS A 80 -0.034 -9.755 -12.962 1.00 0.00 C ATOM 1237 O LYS A 80 0.563 -10.017 -11.911 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.508 -9.752 -13.515 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.827 -8.954 -13.518 1.00 0.00 C ATOM 1240 CD LYS A 80 -4.336 -8.716 -12.086 1.00 0.00 C ATOM 1241 CE LYS A 80 -5.326 -7.558 -12.095 1.00 0.00 C ATOM 1242 NZ LYS A 80 -5.825 -7.333 -10.725 1.00 0.00 N ATOM 0 H LYS A 80 -1.399 -7.753 -14.649 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.536 -8.739 -11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.266 -10.050 -14.535 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.644 -10.668 -12.940 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.675 -7.997 -14.017 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.581 -9.495 -14.090 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.815 -9.617 -11.702 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.501 -8.492 -11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.844 -6.656 -12.472 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.157 -7.780 -12.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.835 -7.086 -10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.699 -8.199 -10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.293 -6.555 -10.285 1.00 0.00 H new ATOM 1256 N ASP A 81 0.353 -10.200 -14.154 1.00 0.00 N ATOM 1257 CA ASP A 81 1.557 -10.992 -14.404 1.00 0.00 C ATOM 1258 C ASP A 81 2.761 -10.110 -14.833 1.00 0.00 C ATOM 1259 O ASP A 81 3.461 -10.337 -15.816 1.00 0.00 O ATOM 1260 CB ASP A 81 1.248 -12.124 -15.390 1.00 0.00 C ATOM 1261 CG ASP A 81 1.126 -11.618 -16.829 1.00 0.00 C ATOM 1262 OD1 ASP A 81 0.407 -10.595 -16.990 1.00 0.00 O ATOM 1263 OD2 ASP A 81 1.723 -12.285 -17.699 1.00 0.00 O ATOM 0 H ASP A 81 -0.181 -10.013 -15.003 1.00 0.00 H new ATOM 0 HA ASP A 81 1.869 -11.456 -13.468 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.035 -12.876 -15.336 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.319 -12.614 -15.099 1.00 0.00 H new ATOM 1268 N VAL A 82 3.075 -9.087 -14.040 1.00 0.00 N ATOM 1269 CA VAL A 82 4.202 -8.215 -14.375 1.00 0.00 C ATOM 1270 C VAL A 82 4.981 -7.826 -13.133 1.00 0.00 C ATOM 1271 O VAL A 82 4.400 -7.396 -12.133 1.00 0.00 O ATOM 1272 CB VAL A 82 3.669 -6.962 -15.070 1.00 0.00 C ATOM 1273 CG1 VAL A 82 4.818 -6.059 -15.484 1.00 0.00 C ATOM 1274 CG2 VAL A 82 2.857 -7.292 -16.342 1.00 0.00 C ATOM 0 H VAL A 82 2.580 -8.844 -13.182 1.00 0.00 H new ATOM 0 HA VAL A 82 4.879 -8.753 -15.039 1.00 0.00 H new ATOM 0 HB VAL A 82 3.017 -6.469 -14.349 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.423 -5.171 -15.978 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.384 -5.762 -14.601 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.473 -6.595 -16.171 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.502 -6.367 -16.797 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.491 -7.825 -17.051 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.004 -7.917 -16.077 1.00 0.00 H new ATOM 1284 N LYS A 83 6.303 -8.008 -13.191 1.00 0.00 N ATOM 1285 CA LYS A 83 7.193 -7.628 -12.082 1.00 0.00 C ATOM 1286 C LYS A 83 7.302 -6.119 -11.941 1.00 0.00 C ATOM 1287 O LYS A 83 6.955 -5.408 -12.869 1.00 0.00 O ATOM 1288 CB LYS A 83 8.574 -8.269 -12.273 1.00 0.00 C ATOM 1289 CG LYS A 83 9.414 -7.598 -13.383 1.00 0.00 C ATOM 1290 CD LYS A 83 10.633 -8.466 -13.718 1.00 0.00 C ATOM 1291 CE LYS A 83 11.255 -8.000 -15.042 1.00 0.00 C ATOM 1292 NZ LYS A 83 12.266 -8.978 -15.513 1.00 0.00 N ATOM 0 H LYS A 83 6.784 -8.416 -13.993 1.00 0.00 H new ATOM 0 HA LYS A 83 6.759 -8.003 -11.155 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.123 -8.219 -11.332 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.446 -9.325 -12.512 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.804 -7.454 -14.275 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.740 -6.610 -13.057 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.369 -8.400 -12.917 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.336 -9.512 -13.793 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.476 -7.882 -15.795 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.720 -7.023 -14.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.677 -8.648 -16.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.018 -9.070 -14.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.813 -9.902 -15.660 1.00 0.00 H new ATOM 1306 N THR A 84 7.973 -5.638 -10.896 1.00 0.00 N ATOM 1307 CA THR A 84 8.220 -4.205 -10.679 1.00 0.00 C ATOM 1308 C THR A 84 8.987 -3.553 -11.816 1.00 0.00 C ATOM 1309 O THR A 84 8.444 -2.664 -12.433 1.00 0.00 O ATOM 1310 CB THR A 84 9.024 -3.945 -9.413 1.00 0.00 C ATOM 1311 OG1 THR A 84 10.177 -4.765 -9.417 1.00 0.00 O ATOM 1312 CG2 THR A 84 8.204 -4.268 -8.177 1.00 0.00 C ATOM 0 H THR A 84 8.366 -6.233 -10.167 1.00 0.00 H new ATOM 0 HA THR A 84 7.222 -3.773 -10.605 1.00 0.00 H new ATOM 0 HB THR A 84 9.301 -2.891 -9.391 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.699 -4.600 -8.604 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.799 -4.074 -7.285 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.311 -3.644 -8.160 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.912 -5.318 -8.198 1.00 0.00 H new ATOM 1320 N SER A 85 10.208 -3.985 -12.128 1.00 0.00 N ATOM 1321 CA SER A 85 11.017 -3.405 -13.208 1.00 0.00 C ATOM 1322 C SER A 85 10.231 -3.297 -14.516 1.00 0.00 C ATOM 1323 O SER A 85 10.156 -2.212 -15.087 1.00 0.00 O ATOM 1324 CB SER A 85 12.233 -4.295 -13.431 1.00 0.00 C ATOM 1325 OG SER A 85 12.903 -3.912 -14.615 1.00 0.00 O ATOM 0 H SER A 85 10.670 -4.751 -11.638 1.00 0.00 H new ATOM 0 HA SER A 85 11.312 -2.398 -12.913 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.910 -4.220 -12.580 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.923 -5.338 -13.500 1.00 0.00 H new ATOM 0 HG SER A 85 13.684 -4.488 -14.750 1.00 0.00 H new ATOM 1331 N GLN A 86 9.667 -4.426 -14.958 1.00 0.00 N ATOM 1332 CA GLN A 86 8.828 -4.445 -16.148 1.00 0.00 C ATOM 1333 C GLN A 86 7.630 -3.506 -16.049 1.00 0.00 C ATOM 1334 O GLN A 86 7.353 -2.875 -17.069 1.00 0.00 O ATOM 1335 CB GLN A 86 8.334 -5.869 -16.415 1.00 0.00 C ATOM 1336 CG GLN A 86 7.521 -5.978 -17.720 1.00 0.00 C ATOM 1337 CD GLN A 86 8.422 -6.168 -18.931 1.00 0.00 C ATOM 1338 OE1 GLN A 86 9.147 -5.282 -19.356 1.00 0.00 O ATOM 1339 NE2 GLN A 86 8.449 -7.365 -19.479 1.00 0.00 N ATOM 0 H GLN A 86 9.779 -5.334 -14.507 1.00 0.00 H new ATOM 0 HA GLN A 86 9.448 -4.093 -16.973 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.189 -6.543 -16.466 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.718 -6.199 -15.579 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.827 -6.816 -17.648 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.921 -5.078 -17.851 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.842 -8.103 -19.122 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.077 -7.554 -20.261 1.00 0.00 H new ATOM 1348 N GLN A 87 6.955 -3.458 -14.887 1.00 0.00 N ATOM 1349 CA GLN A 87 5.802 -2.615 -14.586 1.00 0.00 C ATOM 1350 C GLN A 87 5.914 -1.245 -15.256 1.00 0.00 C ATOM 1351 O GLN A 87 6.850 -0.471 -15.015 1.00 0.00 O ATOM 1352 CB GLN A 87 5.646 -2.395 -13.076 1.00 0.00 C ATOM 1353 CG GLN A 87 4.262 -1.898 -12.745 1.00 0.00 C ATOM 1354 CD GLN A 87 3.203 -2.908 -13.167 1.00 0.00 C ATOM 1355 OE1 GLN A 87 2.376 -2.634 -14.010 1.00 0.00 O ATOM 1356 NE2 GLN A 87 3.287 -4.141 -12.720 1.00 0.00 N ATOM 0 H GLN A 87 7.220 -4.042 -14.094 1.00 0.00 H new ATOM 0 HA GLN A 87 4.931 -3.143 -14.975 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.838 -3.328 -12.547 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.388 -1.675 -12.731 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.185 -1.712 -11.674 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.083 -0.947 -13.247 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.980 -4.380 -12.011 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.659 -4.859 -13.082 1.00 0.00 H new ATOM 1365 N LYS A 88 4.968 -0.977 -16.148 1.00 0.00 N ATOM 1366 CA LYS A 88 5.002 0.240 -16.954 1.00 0.00 C ATOM 1367 C LYS A 88 4.157 1.288 -16.256 1.00 0.00 C ATOM 1368 O LYS A 88 2.945 1.162 -16.158 1.00 0.00 O ATOM 1369 CB LYS A 88 4.472 -0.022 -18.369 1.00 0.00 C ATOM 1370 CG LYS A 88 5.321 -1.045 -19.147 1.00 0.00 C ATOM 1371 CD LYS A 88 6.534 -0.369 -19.803 1.00 0.00 C ATOM 1372 CE LYS A 88 7.309 -1.406 -20.620 1.00 0.00 C ATOM 1373 NZ LYS A 88 8.421 -0.753 -21.355 1.00 0.00 N ATOM 0 H LYS A 88 4.169 -1.584 -16.332 1.00 0.00 H new ATOM 0 HA LYS A 88 6.030 0.588 -17.053 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.445 -0.382 -18.306 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.447 0.917 -18.922 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.659 -1.831 -18.471 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.709 -1.524 -19.912 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.206 0.447 -20.447 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.179 0.066 -19.040 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.704 -2.178 -19.960 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.639 -1.900 -21.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.940 -1.467 -21.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.036 -0.032 -21.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.068 -0.302 -20.677 1.00 0.00 H new ATOM 1387 N GLY A 89 4.808 2.334 -15.761 1.00 0.00 N ATOM 1388 CA GLY A 89 4.084 3.430 -15.124 1.00 0.00 C ATOM 1389 C GLY A 89 4.971 4.222 -14.187 1.00 0.00 C ATOM 1390 O GLY A 89 5.041 5.444 -14.271 1.00 0.00 O ATOM 0 H GLY A 89 5.821 2.447 -15.787 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.681 4.093 -15.890 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.235 3.031 -14.569 1.00 0.00 H new ATOM 1394 N GLY A 90 5.592 3.544 -13.222 1.00 0.00 N ATOM 1395 CA GLY A 90 6.508 4.193 -12.287 1.00 0.00 C ATOM 1396 C GLY A 90 6.448 3.560 -10.904 1.00 0.00 C ATOM 1397 O GLY A 90 5.419 2.965 -10.564 1.00 0.00 O ATOM 0 H GLY A 90 5.476 2.542 -13.068 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.526 4.129 -12.672 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.261 5.252 -12.213 1.00 0.00 H new ATOM 1401 N PRO A 91 7.478 3.812 -10.080 1.00 0.00 N ATOM 1402 CA PRO A 91 7.564 3.321 -8.711 1.00 0.00 C ATOM 1403 C PRO A 91 6.536 3.993 -7.794 1.00 0.00 C ATOM 1404 O PRO A 91 6.149 5.159 -7.962 1.00 0.00 O ATOM 1405 CB PRO A 91 8.992 3.647 -8.245 1.00 0.00 C ATOM 1406 CG PRO A 91 9.381 4.848 -9.106 1.00 0.00 C ATOM 1407 CD PRO A 91 8.635 4.641 -10.411 1.00 0.00 C ATOM 0 HA PRO A 91 7.349 2.253 -8.670 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.023 3.888 -7.182 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.667 2.806 -8.401 1.00 0.00 H new ATOM 0 HG2 PRO A 91 9.095 5.786 -8.630 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.458 4.888 -9.267 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.324 5.594 -10.839 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.269 4.151 -11.150 1.00 0.00 H new ATOM 1415 N THR A 92 6.104 3.225 -6.799 1.00 0.00 N ATOM 1416 CA THR A 92 5.077 3.636 -5.853 1.00 0.00 C ATOM 1417 C THR A 92 5.324 3.006 -4.467 1.00 0.00 C ATOM 1418 O THR A 92 5.193 1.793 -4.283 1.00 0.00 O ATOM 1419 CB THR A 92 3.636 3.414 -6.335 1.00 0.00 C ATOM 1420 OG1 THR A 92 2.846 3.388 -5.168 1.00 0.00 O ATOM 1421 CG2 THR A 92 3.517 2.132 -7.162 1.00 0.00 C ATOM 0 H THR A 92 6.464 2.286 -6.626 1.00 0.00 H new ATOM 0 HA THR A 92 5.171 4.719 -5.769 1.00 0.00 H new ATOM 0 HB THR A 92 3.302 4.206 -7.005 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.899 3.342 -5.415 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.485 2.004 -7.488 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.167 2.200 -8.034 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.814 1.278 -6.554 1.00 0.00 H new ATOM 1429 N PRO A 93 5.729 3.822 -3.485 1.00 0.00 N ATOM 1430 CA PRO A 93 5.961 3.375 -2.130 1.00 0.00 C ATOM 1431 C PRO A 93 4.671 3.026 -1.418 1.00 0.00 C ATOM 1432 O PRO A 93 4.724 2.238 -0.479 1.00 0.00 O ATOM 1433 CB PRO A 93 6.642 4.555 -1.430 1.00 0.00 C ATOM 1434 CG PRO A 93 6.181 5.763 -2.193 1.00 0.00 C ATOM 1435 CD PRO A 93 5.995 5.238 -3.596 1.00 0.00 C ATOM 0 HA PRO A 93 6.567 2.469 -2.119 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.353 4.614 -0.381 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.727 4.459 -1.457 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.252 6.165 -1.787 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.917 6.566 -2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.169 5.748 -4.092 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.887 5.417 -4.196 1.00 0.00 H new ATOM 1443 N ILE A 94 3.562 3.652 -1.824 1.00 0.00 N ATOM 1444 CA ILE A 94 2.248 3.430 -1.260 1.00 0.00 C ATOM 1445 C ILE A 94 1.700 2.067 -1.667 1.00 0.00 C ATOM 1446 O ILE A 94 1.618 1.774 -2.863 1.00 0.00 O ATOM 1447 CB ILE A 94 1.257 4.546 -1.663 1.00 0.00 C ATOM 1448 CG1 ILE A 94 1.740 5.908 -1.166 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.123 4.269 -1.044 1.00 0.00 C ATOM 1450 CD1 ILE A 94 1.073 7.089 -1.818 1.00 0.00 C ATOM 0 H ILE A 94 3.565 4.343 -2.574 1.00 0.00 H new ATOM 0 HA ILE A 94 2.357 3.452 -0.176 1.00 0.00 H new ATOM 0 HB ILE A 94 1.191 4.558 -2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.578 5.965 -0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.815 5.979 -1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.816 5.059 -1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.497 3.310 -1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.036 4.241 0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.479 8.011 -1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.256 7.063 -2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.000 7.049 -1.632 1.00 0.00 H new ATOM 1462 N ARG A 95 1.314 1.256 -0.680 1.00 0.00 N ATOM 1463 CA ARG A 95 0.721 -0.056 -0.939 1.00 0.00 C ATOM 1464 C ARG A 95 -0.489 -0.311 -0.059 1.00 0.00 C ATOM 1465 O ARG A 95 -0.425 -0.133 1.151 1.00 0.00 O ATOM 1466 CB ARG A 95 1.779 -1.138 -0.712 1.00 0.00 C ATOM 1467 CG ARG A 95 2.635 -1.405 -1.932 1.00 0.00 C ATOM 1468 CD ARG A 95 3.785 -2.347 -1.618 1.00 0.00 C ATOM 1469 NE ARG A 95 4.337 -2.907 -2.868 1.00 0.00 N ATOM 1470 CZ ARG A 95 5.248 -2.332 -3.635 1.00 0.00 C ATOM 1471 NH1 ARG A 95 5.717 -1.151 -3.342 1.00 0.00 N ATOM 1472 NH2 ARG A 95 5.698 -2.922 -4.705 1.00 0.00 N ATOM 0 H ARG A 95 1.402 1.487 0.310 1.00 0.00 H new ATOM 0 HA ARG A 95 0.379 -0.081 -1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.422 -0.839 0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.285 -2.063 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.019 -1.834 -2.722 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.030 -0.463 -2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.564 -1.813 -1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.439 -3.153 -0.971 1.00 0.00 H new ATOM 0 HE ARG A 95 3.985 -3.817 -3.166 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.381 -0.660 -2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.420 -0.718 -3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.348 -3.844 -4.964 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.401 -2.462 -5.284 1.00 0.00 H new ATOM 1486 N VAL A 96 -1.607 -0.691 -0.648 1.00 0.00 N ATOM 1487 CA VAL A 96 -2.800 -1.067 0.102 1.00 0.00 C ATOM 1488 C VAL A 96 -2.573 -2.324 0.948 1.00 0.00 C ATOM 1489 O VAL A 96 -2.026 -3.311 0.449 1.00 0.00 O ATOM 1490 CB VAL A 96 -3.996 -1.213 -0.848 1.00 0.00 C ATOM 1491 CG1 VAL A 96 -3.709 -2.188 -1.993 1.00 0.00 C ATOM 1492 CG2 VAL A 96 -5.237 -1.606 -0.050 1.00 0.00 C ATOM 0 H VAL A 96 -1.718 -0.749 -1.660 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.027 -0.268 0.808 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.182 -0.250 -1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.584 -2.259 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.859 -1.829 -2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.480 -3.172 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.086 -1.710 -0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.059 -2.554 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.453 -0.835 0.689 1.00 0.00 H new ATOM 1502 N VAL A 97 -3.052 -2.298 2.192 1.00 0.00 N ATOM 1503 CA VAL A 97 -2.961 -3.428 3.115 1.00 0.00 C ATOM 1504 C VAL A 97 -4.331 -3.937 3.535 1.00 0.00 C ATOM 1505 O VAL A 97 -5.265 -3.169 3.784 1.00 0.00 O ATOM 1506 CB VAL A 97 -2.148 -3.120 4.370 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -1.822 -4.371 5.185 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -0.834 -2.424 3.995 1.00 0.00 C ATOM 0 H VAL A 97 -3.519 -1.483 2.591 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.440 -4.202 2.551 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.768 -2.467 4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.243 -4.091 6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.748 -4.853 5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.242 -5.062 4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.264 -2.210 4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.250 -3.075 3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.052 -1.491 3.475 1.00 0.00 H new ATOM 1518 N TYR A 98 -4.478 -5.257 3.554 1.00 0.00 N ATOM 1519 CA TYR A 98 -5.758 -5.892 3.813 1.00 0.00 C ATOM 1520 C TYR A 98 -5.545 -7.241 4.474 1.00 0.00 C ATOM 1521 O TYR A 98 -4.635 -7.986 4.129 1.00 0.00 O ATOM 1522 CB TYR A 98 -6.593 -6.056 2.534 1.00 0.00 C ATOM 1523 CG TYR A 98 -5.817 -6.364 1.266 1.00 0.00 C ATOM 1524 CD1 TYR A 98 -4.979 -5.398 0.699 1.00 0.00 C ATOM 1525 CD2 TYR A 98 -5.900 -7.621 0.664 1.00 0.00 C ATOM 1526 CE1 TYR A 98 -4.195 -5.688 -0.419 1.00 0.00 C ATOM 1527 CE2 TYR A 98 -5.177 -7.903 -0.504 1.00 0.00 C ATOM 1528 CZ TYR A 98 -4.310 -6.935 -1.036 1.00 0.00 C ATOM 1529 OH TYR A 98 -3.638 -7.168 -2.188 1.00 0.00 O ATOM 0 H TYR A 98 -3.714 -5.912 3.390 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.316 -5.240 4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.316 -6.855 2.696 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -7.161 -5.139 2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.938 -4.410 1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.527 -8.383 1.102 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.504 -4.953 -0.804 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.286 -8.860 -0.992 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.819 -8.081 -2.493 1.00 0.00 H new ATOM 1539 N ALA A 99 -6.383 -7.545 5.456 1.00 0.00 N ATOM 1540 CA ALA A 99 -6.317 -8.824 6.147 1.00 0.00 C ATOM 1541 C ALA A 99 -7.136 -9.907 5.419 1.00 0.00 C ATOM 1542 O ALA A 99 -8.090 -9.600 4.692 1.00 0.00 O ATOM 1543 CB ALA A 99 -6.789 -8.631 7.594 1.00 0.00 C ATOM 0 H ALA A 99 -7.117 -6.922 5.792 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.285 -9.176 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.744 -9.584 8.122 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.144 -7.908 8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.815 -8.264 7.596 1.00 0.00 H new ATOM 1549 N ASN A 100 -6.822 -11.175 5.696 1.00 0.00 N ATOM 1550 CA ASN A 100 -7.533 -12.330 5.143 1.00 0.00 C ATOM 1551 C ASN A 100 -8.737 -12.663 6.054 1.00 0.00 C ATOM 1552 O ASN A 100 -8.695 -13.498 6.958 1.00 0.00 O ATOM 1553 CB ASN A 100 -6.544 -13.492 4.936 1.00 0.00 C ATOM 1554 CG ASN A 100 -7.212 -14.857 4.889 1.00 0.00 C ATOM 1555 OD1 ASN A 100 -7.118 -15.688 5.774 1.00 0.00 O ATOM 1556 ND2 ASN A 100 -7.983 -15.093 3.864 1.00 0.00 N ATOM 0 H ASN A 100 -6.056 -11.432 6.319 1.00 0.00 H new ATOM 0 HA ASN A 100 -7.946 -12.115 4.157 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -5.997 -13.332 4.007 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -5.811 -13.483 5.743 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -8.502 -15.969 3.807 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.067 -14.402 3.119 1.00 0.00 H new ATOM 1563 N SER A 101 -9.840 -11.962 5.849 1.00 0.00 N ATOM 1564 CA SER A 101 -11.041 -12.240 6.635 1.00 0.00 C ATOM 1565 C SER A 101 -12.068 -12.964 5.775 1.00 0.00 C ATOM 1566 O SER A 101 -12.893 -12.342 5.116 1.00 0.00 O ATOM 1567 CB SER A 101 -11.567 -10.963 7.296 1.00 0.00 C ATOM 1568 OG SER A 101 -11.964 -9.942 6.420 1.00 0.00 O ATOM 0 H SER A 101 -9.934 -11.213 5.163 1.00 0.00 H new ATOM 0 HA SER A 101 -10.800 -12.913 7.458 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.416 -11.226 7.926 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.791 -10.571 7.954 1.00 0.00 H new ATOM 0 HG SER A 101 -11.951 -10.277 5.499 1.00 0.00 H new ATOM 1574 N ARG A 102 -12.019 -14.305 5.751 1.00 0.00 N ATOM 1575 CA ARG A 102 -12.962 -15.080 4.918 1.00 0.00 C ATOM 1576 C ARG A 102 -12.785 -14.812 3.413 1.00 0.00 C ATOM 1577 O ARG A 102 -13.758 -14.783 2.658 1.00 0.00 O ATOM 1578 CB ARG A 102 -14.412 -14.753 5.380 1.00 0.00 C ATOM 1579 CG ARG A 102 -15.366 -15.922 5.128 1.00 0.00 C ATOM 1580 CD ARG A 102 -15.168 -16.999 6.208 1.00 0.00 C ATOM 1581 NE ARG A 102 -15.774 -16.579 7.489 1.00 0.00 N ATOM 1582 CZ ARG A 102 -17.052 -16.712 7.796 1.00 0.00 C ATOM 1583 NH1 ARG A 102 -17.904 -17.244 6.961 1.00 0.00 N ATOM 1584 NH2 ARG A 102 -17.499 -16.322 8.953 1.00 0.00 N ATOM 0 H ARG A 102 -11.355 -14.867 6.283 1.00 0.00 H new ATOM 0 HA ARG A 102 -12.754 -16.141 5.055 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -14.409 -14.509 6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -14.771 -13.870 4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -16.398 -15.570 5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -15.183 -16.346 4.141 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -15.616 -17.936 5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -14.104 -17.187 6.349 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.161 -16.156 8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -17.588 -17.568 6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -18.886 -17.335 7.223 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.861 -15.909 9.633 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -18.488 -16.429 9.180 1.00 0.00 H new ATOM 1598 N GLY A 103 -11.547 -14.553 2.987 1.00 0.00 N ATOM 1599 CA GLY A 103 -11.251 -14.198 1.596 1.00 0.00 C ATOM 1600 C GLY A 103 -11.601 -12.741 1.241 1.00 0.00 C ATOM 1601 O GLY A 103 -10.910 -12.115 0.440 1.00 0.00 O ATOM 0 H GLY A 103 -10.726 -14.583 3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.191 -14.364 1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.802 -14.866 0.935 1.00 0.00 H new ATOM 1605 N ALA A 104 -12.666 -12.185 1.816 1.00 0.00 N ATOM 1606 CA ALA A 104 -13.046 -10.799 1.592 1.00 0.00 C ATOM 1607 C ALA A 104 -12.078 -9.855 2.310 1.00 0.00 C ATOM 1608 O ALA A 104 -11.995 -9.851 3.534 1.00 0.00 O ATOM 1609 CB ALA A 104 -14.487 -10.590 2.057 1.00 0.00 C ATOM 0 H ALA A 104 -13.288 -12.687 2.450 1.00 0.00 H new ATOM 0 HA ALA A 104 -12.990 -10.570 0.528 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -14.776 -9.552 1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -15.150 -11.246 1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -14.564 -10.822 3.119 1.00 0.00 H new ATOM 1615 N VAL A 105 -11.325 -9.079 1.548 1.00 0.00 N ATOM 1616 CA VAL A 105 -10.399 -8.106 2.117 1.00 0.00 C ATOM 1617 C VAL A 105 -11.140 -7.140 3.037 1.00 0.00 C ATOM 1618 O VAL A 105 -12.186 -6.595 2.679 1.00 0.00 O ATOM 1619 CB VAL A 105 -9.681 -7.341 0.986 1.00 0.00 C ATOM 1620 CG1 VAL A 105 -9.029 -8.322 0.000 1.00 0.00 C ATOM 1621 CG2 VAL A 105 -10.591 -6.379 0.219 1.00 0.00 C ATOM 0 H VAL A 105 -11.335 -9.102 0.528 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.652 -8.633 2.711 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.920 -6.735 1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.528 -7.764 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -8.301 -8.938 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.796 -8.961 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.016 -5.878 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.409 -6.937 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.996 -5.636 0.906 1.00 0.00 H new ATOM 1631 N GLN A 106 -10.528 -6.845 4.176 1.00 0.00 N ATOM 1632 CA GLN A 106 -11.117 -5.881 5.106 1.00 0.00 C ATOM 1633 C GLN A 106 -10.574 -4.473 4.905 1.00 0.00 C ATOM 1634 O GLN A 106 -10.821 -3.651 5.778 1.00 0.00 O ATOM 1635 CB GLN A 106 -10.937 -6.378 6.546 1.00 0.00 C ATOM 1636 CG GLN A 106 -9.485 -6.256 7.035 1.00 0.00 C ATOM 1637 CD GLN A 106 -9.378 -6.530 8.531 1.00 0.00 C ATOM 1638 OE1 GLN A 106 -9.806 -7.536 9.083 1.00 0.00 O ATOM 1639 NE2 GLN A 106 -8.677 -5.670 9.231 1.00 0.00 N ATOM 0 H GLN A 106 -9.641 -7.248 4.478 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.185 -5.810 4.898 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.589 -5.807 7.208 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.252 -7.420 6.609 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.855 -6.958 6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.109 -5.256 6.819 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.313 -4.827 8.787 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.496 -5.844 10.220 1.00 0.00 H new ATOM 1648 N TYR A 107 -9.767 -4.247 3.850 1.00 0.00 N ATOM 1649 CA TYR A 107 -9.082 -2.974 3.582 1.00 0.00 C ATOM 1650 C TYR A 107 -8.512 -2.395 4.894 1.00 0.00 C ATOM 1651 O TYR A 107 -8.902 -1.326 5.344 1.00 0.00 O ATOM 1652 CB TYR A 107 -10.093 -2.039 2.885 1.00 0.00 C ATOM 1653 CG TYR A 107 -9.615 -0.610 2.719 1.00 0.00 C ATOM 1654 CD1 TYR A 107 -8.383 -0.372 2.073 1.00 0.00 C ATOM 1655 CD2 TYR A 107 -10.303 0.433 3.390 1.00 0.00 C ATOM 1656 CE1 TYR A 107 -7.875 0.939 2.044 1.00 0.00 C ATOM 1657 CE2 TYR A 107 -9.769 1.735 3.387 1.00 0.00 C ATOM 1658 CZ TYR A 107 -8.551 1.985 2.713 1.00 0.00 C ATOM 1659 OH TYR A 107 -8.085 3.263 2.610 1.00 0.00 O ATOM 0 H TYR A 107 -9.571 -4.961 3.148 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.226 -3.105 2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -10.328 -2.447 1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -11.020 -2.035 3.458 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.840 -1.182 1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -11.232 0.229 3.901 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.962 1.148 1.507 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.285 2.536 3.895 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.661 3.864 3.127 1.00 0.00 H new ATOM 1669 N CYS A 108 -7.669 -3.175 5.582 1.00 0.00 N ATOM 1670 CA CYS A 108 -7.095 -2.712 6.853 1.00 0.00 C ATOM 1671 C CYS A 108 -6.567 -1.268 6.773 1.00 0.00 C ATOM 1672 O CYS A 108 -6.703 -0.512 7.737 1.00 0.00 O ATOM 1673 CB CYS A 108 -5.948 -3.639 7.249 1.00 0.00 C ATOM 1674 SG CYS A 108 -5.422 -3.371 8.972 1.00 0.00 S ATOM 0 H CYS A 108 -7.374 -4.107 5.290 1.00 0.00 H new ATOM 0 HA CYS A 108 -7.891 -2.730 7.597 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.259 -4.676 7.121 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.102 -3.475 6.582 1.00 0.00 H new ATOM 1679 N GLY A 109 -6.033 -0.906 5.598 1.00 0.00 N ATOM 1680 CA GLY A 109 -5.633 0.455 5.300 1.00 0.00 C ATOM 1681 C GLY A 109 -4.420 0.468 4.389 1.00 0.00 C ATOM 1682 O GLY A 109 -3.743 -0.528 4.169 1.00 0.00 O ATOM 0 H GLY A 109 -5.870 -1.560 4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.457 0.986 4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.405 0.984 6.226 1.00 0.00 H new ATOM 1686 N VAL A 110 -4.116 1.614 3.822 1.00 0.00 N ATOM 1687 CA VAL A 110 -2.988 1.738 2.900 1.00 0.00 C ATOM 1688 C VAL A 110 -1.800 2.319 3.629 1.00 0.00 C ATOM 1689 O VAL A 110 -1.985 3.103 4.544 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.334 2.687 1.754 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -2.420 2.437 0.554 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -4.754 2.492 1.257 1.00 0.00 C ATOM 0 H VAL A 110 -4.630 2.481 3.978 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.761 0.746 2.509 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.211 3.694 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.682 3.123 -0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.383 2.600 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.543 1.410 0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.953 3.189 0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.877 1.470 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.453 2.677 2.072 1.00 0.00 H new ATOM 1702 N MET A 111 -0.591 1.977 3.223 1.00 0.00 N ATOM 1703 CA MET A 111 0.655 2.417 3.866 1.00 0.00 C ATOM 1704 C MET A 111 1.541 3.092 2.856 1.00 0.00 C ATOM 1705 O MET A 111 1.268 2.985 1.664 1.00 0.00 O ATOM 1706 CB MET A 111 1.411 1.255 4.539 1.00 0.00 C ATOM 1707 CG MET A 111 1.403 -0.042 3.730 1.00 0.00 C ATOM 1708 SD MET A 111 2.686 -0.120 2.470 1.00 0.00 S ATOM 1709 CE MET A 111 3.029 -1.907 2.538 1.00 0.00 C ATOM 0 H MET A 111 -0.434 1.371 2.418 1.00 0.00 H new ATOM 0 HA MET A 111 0.384 3.123 4.651 1.00 0.00 H new ATOM 0 HB2 MET A 111 2.444 1.558 4.711 1.00 0.00 H new ATOM 0 HB3 MET A 111 0.968 1.064 5.517 1.00 0.00 H new ATOM 0 HG2 MET A 111 1.524 -0.885 4.411 1.00 0.00 H new ATOM 0 HG3 MET A 111 0.430 -0.155 3.252 1.00 0.00 H new ATOM 0 HE1 MET A 111 3.770 -2.164 1.782 1.00 0.00 H new ATOM 0 HE2 MET A 111 3.412 -2.167 3.525 1.00 0.00 H new ATOM 0 HE3 MET A 111 2.110 -2.461 2.348 1.00 0.00 H new ATOM 1719 N THR A 112 2.613 3.725 3.313 1.00 0.00 N ATOM 1720 CA THR A 112 3.586 4.367 2.453 1.00 0.00 C ATOM 1721 C THR A 112 4.928 4.501 3.155 1.00 0.00 C ATOM 1722 O THR A 112 5.015 4.570 4.377 1.00 0.00 O ATOM 1723 CB THR A 112 3.069 5.754 2.055 1.00 0.00 C ATOM 1724 OG1 THR A 112 3.887 6.164 0.980 1.00 0.00 O ATOM 1725 CG2 THR A 112 3.251 6.831 3.093 1.00 0.00 C ATOM 0 H THR A 112 2.830 3.806 4.306 1.00 0.00 H new ATOM 0 HA THR A 112 3.727 3.753 1.564 1.00 0.00 H new ATOM 0 HB THR A 112 2.001 5.651 1.863 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.605 7.051 0.674 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.853 7.772 2.714 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.720 6.553 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.312 6.948 3.314 1.00 0.00 H new ATOM 1733 N HIS A 113 5.993 4.553 2.364 1.00 0.00 N ATOM 1734 CA HIS A 113 7.316 4.794 2.924 1.00 0.00 C ATOM 1735 C HIS A 113 7.505 6.238 3.398 1.00 0.00 C ATOM 1736 O HIS A 113 6.862 7.142 2.879 1.00 0.00 O ATOM 1737 CB HIS A 113 8.350 4.435 1.856 1.00 0.00 C ATOM 1738 CG HIS A 113 8.179 3.059 1.246 1.00 0.00 C ATOM 1739 ND1 HIS A 113 8.509 2.715 -0.053 1.00 0.00 N ATOM 1740 CD2 HIS A 113 7.720 1.938 1.872 1.00 0.00 C ATOM 1741 CE1 HIS A 113 8.288 1.411 -0.241 1.00 0.00 C ATOM 1742 NE2 HIS A 113 7.816 0.934 0.921 1.00 0.00 N ATOM 0 H HIS A 113 5.969 4.434 1.351 1.00 0.00 H new ATOM 0 HA HIS A 113 7.441 4.172 3.810 1.00 0.00 H new ATOM 0 HB2 HIS A 113 8.303 5.178 1.060 1.00 0.00 H new ATOM 0 HB3 HIS A 113 9.345 4.501 2.296 1.00 0.00 H new ATOM 0 HD2 HIS A 113 7.360 1.851 2.887 1.00 0.00 H new ATOM 0 HE1 HIS A 113 8.456 0.851 -1.149 1.00 0.00 H new ATOM 0 HE2 HIS A 113 7.561 -0.040 1.083 1.00 0.00 H new ATOM 1751 N SER A 114 8.561 6.444 4.182 1.00 0.00 N ATOM 1752 CA SER A 114 8.853 7.764 4.722 1.00 0.00 C ATOM 1753 C SER A 114 9.639 8.537 3.693 1.00 0.00 C ATOM 1754 O SER A 114 9.129 9.528 3.244 1.00 0.00 O ATOM 1755 CB SER A 114 9.672 7.702 5.985 1.00 0.00 C ATOM 1756 OG SER A 114 9.562 8.916 6.682 1.00 0.00 O ATOM 0 H SER A 114 9.223 5.717 4.454 1.00 0.00 H new ATOM 0 HA SER A 114 7.903 8.243 4.958 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.329 6.879 6.612 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.716 7.504 5.743 1.00 0.00 H new ATOM 0 HG SER A 114 8.752 8.904 7.234 1.00 0.00 H new ATOM 1762 N LYS A 115 10.806 8.072 3.225 1.00 0.00 N ATOM 1763 CA LYS A 115 11.615 8.776 2.222 1.00 0.00 C ATOM 1764 C LYS A 115 10.918 8.788 0.865 1.00 0.00 C ATOM 1765 O LYS A 115 10.981 7.771 0.156 1.00 0.00 O ATOM 1766 CB LYS A 115 12.983 8.090 2.118 1.00 0.00 C ATOM 1767 CG LYS A 115 13.929 8.782 1.121 1.00 0.00 C ATOM 1768 CD LYS A 115 14.564 10.026 1.755 1.00 0.00 C ATOM 1769 CE LYS A 115 15.154 10.942 0.680 1.00 0.00 C ATOM 1770 NZ LYS A 115 16.442 10.405 0.172 1.00 0.00 N ATOM 0 H LYS A 115 11.217 7.191 3.534 1.00 0.00 H new ATOM 0 HA LYS A 115 11.746 9.813 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.451 8.074 3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.841 7.053 1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.709 8.087 0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.378 9.065 0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.815 10.569 2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.346 9.726 2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.448 11.043 -0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.309 11.939 1.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.822 11.044 -0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.121 10.331 0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.287 9.463 -0.241 1.00 0.00 H new ATOM 1784 N VAL A 116 10.358 9.932 0.491 1.00 0.00 N ATOM 1785 CA VAL A 116 9.639 10.067 -0.777 1.00 0.00 C ATOM 1786 C VAL A 116 9.835 11.448 -1.346 1.00 0.00 C ATOM 1787 O VAL A 116 9.241 12.377 -0.863 1.00 0.00 O ATOM 1788 CB VAL A 116 8.132 9.776 -0.631 1.00 0.00 C ATOM 1789 CG1 VAL A 116 7.907 8.261 -0.525 1.00 0.00 C ATOM 1790 CG2 VAL A 116 7.485 10.441 0.592 1.00 0.00 C ATOM 0 H VAL A 116 10.387 10.786 1.049 1.00 0.00 H new ATOM 0 HA VAL A 116 10.055 9.325 -1.458 1.00 0.00 H new ATOM 0 HB VAL A 116 7.660 10.196 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.841 8.058 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.284 7.773 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.436 7.875 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.425 10.189 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 116 7.971 10.084 1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.599 11.523 0.521 1.00 0.00 H new ATOM 1800 N ASP A 117 10.667 11.605 -2.359 1.00 0.00 N ATOM 1801 CA ASP A 117 10.897 12.924 -2.962 1.00 0.00 C ATOM 1802 C ASP A 117 10.369 12.952 -4.386 1.00 0.00 C ATOM 1803 O ASP A 117 9.310 13.512 -4.658 1.00 0.00 O ATOM 1804 CB ASP A 117 12.380 13.262 -2.884 1.00 0.00 C ATOM 1805 CG ASP A 117 12.773 13.914 -1.562 1.00 0.00 C ATOM 1806 OD1 ASP A 117 12.954 13.119 -0.606 1.00 0.00 O ATOM 1807 OD2 ASP A 117 13.194 15.082 -1.657 1.00 0.00 O ATOM 0 H ASP A 117 11.197 10.846 -2.787 1.00 0.00 H new ATOM 0 HA ASP A 117 10.351 13.689 -2.409 1.00 0.00 H new ATOM 0 HB2 ASP A 117 12.963 12.351 -3.021 1.00 0.00 H new ATOM 0 HB3 ASP A 117 12.638 13.932 -3.704 1.00 0.00 H new ATOM 1812 N LYS A 118 11.111 12.303 -5.289 1.00 0.00 N ATOM 1813 CA LYS A 118 10.769 12.227 -6.714 1.00 0.00 C ATOM 1814 C LYS A 118 10.585 10.792 -7.170 1.00 0.00 C ATOM 1815 O LYS A 118 9.609 10.448 -7.834 1.00 0.00 O ATOM 1816 CB LYS A 118 11.853 12.923 -7.545 1.00 0.00 C ATOM 1817 CG LYS A 118 11.730 14.462 -7.523 1.00 0.00 C ATOM 1818 CD LYS A 118 12.806 15.086 -8.428 1.00 0.00 C ATOM 1819 CE LYS A 118 14.184 15.018 -7.750 1.00 0.00 C ATOM 1820 NZ LYS A 118 15.270 14.980 -8.760 1.00 0.00 N ATOM 0 H LYS A 118 11.972 11.812 -5.050 1.00 0.00 H new ATOM 0 HA LYS A 118 9.818 12.738 -6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 118 12.834 12.636 -7.167 1.00 0.00 H new ATOM 0 HB3 LYS A 118 11.794 12.573 -8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 118 10.738 14.761 -7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 118 11.842 14.830 -6.503 1.00 0.00 H new ATOM 0 HD2 LYS A 118 12.837 14.560 -9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 118 12.551 16.123 -8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 118 14.317 15.883 -7.100 1.00 0.00 H new ATOM 0 HE3 LYS A 118 14.239 14.132 -7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 16.191 14.934 -8.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 15.153 14.141 -9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 15.229 15.838 -9.347 1.00 0.00 H new ATOM 1834 N ASN A 119 11.572 9.961 -6.833 1.00 0.00 N ATOM 1835 CA ASN A 119 11.540 8.556 -7.203 1.00 0.00 C ATOM 1836 C ASN A 119 10.571 7.777 -6.340 1.00 0.00 C ATOM 1837 O ASN A 119 9.956 6.860 -6.856 1.00 0.00 O ATOM 1838 CB ASN A 119 12.919 7.926 -7.019 1.00 0.00 C ATOM 1839 CG ASN A 119 13.799 8.184 -8.221 1.00 0.00 C ATOM 1840 OD1 ASN A 119 14.269 9.294 -8.427 1.00 0.00 O ATOM 1841 ND2 ASN A 119 14.033 7.167 -9.018 1.00 0.00 N ATOM 0 H ASN A 119 12.399 10.241 -6.306 1.00 0.00 H new ATOM 0 HA ASN A 119 11.226 8.512 -8.246 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.391 8.332 -6.124 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.814 6.852 -6.865 1.00 0.00 H new ATOM 0 HD21 ASN A 119 14.624 7.289 -9.840 1.00 0.00 H new ATOM 0 HD22 ASN A 119 13.624 6.255 -8.815 1.00 0.00 H new ATOM 1848 N ASN A 120 10.489 8.087 -5.036 1.00 0.00 N ATOM 1849 CA ASN A 120 9.518 7.484 -4.114 1.00 0.00 C ATOM 1850 C ASN A 120 9.963 6.051 -3.752 1.00 0.00 C ATOM 1851 O ASN A 120 9.210 5.077 -3.822 1.00 0.00 O ATOM 1852 CB ASN A 120 8.098 7.538 -4.718 1.00 0.00 C ATOM 1853 CG ASN A 120 7.750 8.779 -5.491 1.00 0.00 C ATOM 1854 OD1 ASN A 120 8.130 9.876 -5.116 1.00 0.00 O ATOM 1855 ND2 ASN A 120 7.052 8.592 -6.588 1.00 0.00 N ATOM 0 H ASN A 120 11.101 8.770 -4.590 1.00 0.00 H new ATOM 0 HA ASN A 120 9.483 8.055 -3.186 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.973 6.678 -5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.377 7.426 -3.908 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.801 9.388 -7.175 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.761 7.651 -6.853 1.00 0.00 H new ATOM 1862 N GLN A 121 11.248 5.913 -3.418 1.00 0.00 N ATOM 1863 CA GLN A 121 11.821 4.603 -3.118 1.00 0.00 C ATOM 1864 C GLN A 121 11.297 4.111 -1.781 1.00 0.00 C ATOM 1865 O GLN A 121 10.442 3.234 -1.765 1.00 0.00 O ATOM 1866 CB GLN A 121 13.346 4.662 -3.088 1.00 0.00 C ATOM 1867 CG GLN A 121 13.905 5.130 -4.434 1.00 0.00 C ATOM 1868 CD GLN A 121 15.356 4.695 -4.568 1.00 0.00 C ATOM 1869 OE1 GLN A 121 15.725 3.994 -5.484 1.00 0.00 O ATOM 1870 NE2 GLN A 121 16.218 5.107 -3.662 1.00 0.00 N ATOM 0 H GLN A 121 11.907 6.689 -3.349 1.00 0.00 H new ATOM 0 HA GLN A 121 11.524 3.910 -3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 121 13.671 5.341 -2.300 1.00 0.00 H new ATOM 0 HB3 GLN A 121 13.747 3.677 -2.847 1.00 0.00 H new ATOM 0 HG2 GLN A 121 13.314 4.712 -5.249 1.00 0.00 H new ATOM 0 HG3 GLN A 121 13.832 6.215 -4.511 1.00 0.00 H new ATOM 0 HE21 GLN A 121 15.905 5.697 -2.891 1.00 0.00 H new ATOM 0 HE22 GLN A 121 17.199 4.836 -3.731 1.00 0.00 H new ATOM 1879 N GLY A 122 11.751 4.732 -0.687 1.00 0.00 N ATOM 1880 CA GLY A 122 11.391 4.377 0.674 1.00 0.00 C ATOM 1881 C GLY A 122 12.439 3.543 1.373 1.00 0.00 C ATOM 1882 O GLY A 122 12.952 2.587 0.796 1.00 0.00 O ATOM 0 H GLY A 122 12.399 5.519 -0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 122 11.221 5.289 1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.449 3.828 0.662 1.00 0.00 H new ATOM 1886 N LYS A 123 12.766 3.969 2.591 1.00 0.00 N ATOM 1887 CA LYS A 123 13.801 3.346 3.419 1.00 0.00 C ATOM 1888 C LYS A 123 13.327 3.087 4.828 1.00 0.00 C ATOM 1889 O LYS A 123 13.531 1.979 5.301 1.00 0.00 O ATOM 1890 CB LYS A 123 15.096 4.172 3.436 1.00 0.00 C ATOM 1891 CG LYS A 123 14.864 5.652 3.778 1.00 0.00 C ATOM 1892 CD LYS A 123 16.075 6.504 3.413 1.00 0.00 C ATOM 1893 CE LYS A 123 16.141 7.731 4.330 1.00 0.00 C ATOM 1894 NZ LYS A 123 16.937 7.441 5.545 1.00 0.00 N ATOM 0 H LYS A 123 12.315 4.767 3.038 1.00 0.00 H new ATOM 0 HA LYS A 123 14.017 2.383 2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 123 15.785 3.741 4.163 1.00 0.00 H new ATOM 0 HB3 LYS A 123 15.577 4.102 2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 123 13.986 6.017 3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.654 5.752 4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 123 16.988 5.916 3.510 1.00 0.00 H new ATOM 0 HD3 LYS A 123 16.009 6.820 2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 123 16.584 8.569 3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 123 15.133 8.032 4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 16.333 7.537 6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 17.308 6.471 5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 17.729 8.112 5.609 1.00 0.00 H new ATOM 1908 N GLU A 124 12.808 4.135 5.486 1.00 0.00 N ATOM 1909 CA GLU A 124 12.262 4.025 6.838 1.00 0.00 C ATOM 1910 C GLU A 124 11.131 2.990 6.901 1.00 0.00 C ATOM 1911 O GLU A 124 10.682 2.469 5.868 1.00 0.00 O ATOM 1912 CB GLU A 124 11.759 5.403 7.310 1.00 0.00 C ATOM 1913 CG GLU A 124 12.845 6.309 7.949 1.00 0.00 C ATOM 1914 CD GLU A 124 13.637 7.196 6.922 1.00 0.00 C ATOM 1915 OE1 GLU A 124 13.162 7.477 5.791 1.00 0.00 O ATOM 1916 OE2 GLU A 124 14.829 7.514 7.152 1.00 0.00 O ATOM 0 H GLU A 124 12.757 5.075 5.094 1.00 0.00 H new ATOM 0 HA GLU A 124 13.056 3.685 7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.324 5.926 6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.959 5.253 8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 124 12.371 6.960 8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.553 5.681 8.490 1.00 0.00 H new ATOM 1923 N PHE A 125 10.653 2.757 8.125 1.00 0.00 N ATOM 1924 CA PHE A 125 9.522 1.862 8.315 1.00 0.00 C ATOM 1925 C PHE A 125 8.290 2.271 7.468 1.00 0.00 C ATOM 1926 O PHE A 125 8.152 3.416 6.989 1.00 0.00 O ATOM 1927 CB PHE A 125 9.199 1.771 9.816 1.00 0.00 C ATOM 1928 CG PHE A 125 8.286 2.878 10.315 1.00 0.00 C ATOM 1929 CD1 PHE A 125 8.813 4.140 10.651 1.00 0.00 C ATOM 1930 CD2 PHE A 125 6.900 2.648 10.408 1.00 0.00 C ATOM 1931 CE1 PHE A 125 7.943 5.154 11.101 1.00 0.00 C ATOM 1932 CE2 PHE A 125 6.027 3.657 10.848 1.00 0.00 C ATOM 1933 CZ PHE A 125 6.557 4.911 11.210 1.00 0.00 C ATOM 0 H PHE A 125 11.026 3.169 8.981 1.00 0.00 H new ATOM 0 HA PHE A 125 9.797 0.871 7.954 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.731 0.808 10.020 1.00 0.00 H new ATOM 0 HB3 PHE A 125 10.131 1.799 10.381 1.00 0.00 H new ATOM 0 HD1 PHE A 125 9.873 4.329 10.565 1.00 0.00 H new ATOM 0 HD2 PHE A 125 6.502 1.681 10.137 1.00 0.00 H new ATOM 0 HE1 PHE A 125 8.340 6.123 11.364 1.00 0.00 H new ATOM 0 HE2 PHE A 125 4.964 3.474 10.908 1.00 0.00 H new ATOM 0 HZ PHE A 125 5.901 5.689 11.572 1.00 0.00 H new ATOM 1943 N PHE A 126 7.406 1.299 7.267 1.00 0.00 N ATOM 1944 CA PHE A 126 6.136 1.547 6.600 1.00 0.00 C ATOM 1945 C PHE A 126 5.143 2.357 7.461 1.00 0.00 C ATOM 1946 O PHE A 126 4.526 1.909 8.430 1.00 0.00 O ATOM 1947 CB PHE A 126 5.513 0.233 6.137 1.00 0.00 C ATOM 1948 CG PHE A 126 6.152 -0.352 4.916 1.00 0.00 C ATOM 1949 CD1 PHE A 126 5.643 0.023 3.675 1.00 0.00 C ATOM 1950 CD2 PHE A 126 7.196 -1.295 5.010 1.00 0.00 C ATOM 1951 CE1 PHE A 126 6.131 -0.608 2.524 1.00 0.00 C ATOM 1952 CE2 PHE A 126 7.774 -1.834 3.850 1.00 0.00 C ATOM 1953 CZ PHE A 126 7.241 -1.486 2.596 1.00 0.00 C ATOM 0 H PHE A 126 7.548 0.332 7.557 1.00 0.00 H new ATOM 0 HA PHE A 126 6.355 2.166 5.730 1.00 0.00 H new ATOM 0 HB2 PHE A 126 5.575 -0.492 6.949 1.00 0.00 H new ATOM 0 HB3 PHE A 126 4.454 0.397 5.936 1.00 0.00 H new ATOM 0 HD1 PHE A 126 4.884 0.788 3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 126 7.553 -1.605 5.981 1.00 0.00 H new ATOM 0 HE1 PHE A 126 5.656 -0.424 1.572 1.00 0.00 H new ATOM 0 HE2 PHE A 126 8.616 -2.507 3.920 1.00 0.00 H new ATOM 0 HZ PHE A 126 7.676 -1.886 1.692 1.00 0.00 H new ATOM 1963 N GLU A 127 4.854 3.567 7.015 1.00 0.00 N ATOM 1964 CA GLU A 127 3.940 4.456 7.719 1.00 0.00 C ATOM 1965 C GLU A 127 2.541 4.306 7.120 1.00 0.00 C ATOM 1966 O GLU A 127 2.288 4.656 5.961 1.00 0.00 O ATOM 1967 CB GLU A 127 4.404 5.913 7.659 1.00 0.00 C ATOM 1968 CG GLU A 127 5.890 6.071 8.017 1.00 0.00 C ATOM 1969 CD GLU A 127 6.161 7.425 8.681 1.00 0.00 C ATOM 1970 OE1 GLU A 127 5.592 7.662 9.777 1.00 0.00 O ATOM 1971 OE2 GLU A 127 6.932 8.194 8.062 1.00 0.00 O ATOM 0 H GLU A 127 5.243 3.962 6.159 1.00 0.00 H new ATOM 0 HA GLU A 127 3.922 4.175 8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.231 6.305 6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.803 6.511 8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.192 5.267 8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.496 5.978 7.115 1.00 0.00 H new ATOM 1978 N LYS A 128 1.632 3.687 7.872 1.00 0.00 N ATOM 1979 CA LYS A 128 0.219 3.596 7.489 1.00 0.00 C ATOM 1980 C LYS A 128 -0.320 4.990 7.140 1.00 0.00 C ATOM 1981 O LYS A 128 -0.166 5.910 7.947 1.00 0.00 O ATOM 1982 CB LYS A 128 -0.607 2.871 8.562 1.00 0.00 C ATOM 1983 CG LYS A 128 -0.445 3.467 9.978 1.00 0.00 C ATOM 1984 CD LYS A 128 -1.610 4.410 10.317 1.00 0.00 C ATOM 1985 CE LYS A 128 -1.185 5.416 11.382 1.00 0.00 C ATOM 1986 NZ LYS A 128 -1.497 4.878 12.716 1.00 0.00 N ATOM 0 H LYS A 128 1.850 3.236 8.760 1.00 0.00 H new ATOM 0 HA LYS A 128 0.128 2.985 6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.660 2.904 8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.316 1.821 8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -0.399 2.662 10.712 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.498 4.011 10.042 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -1.934 4.936 9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -2.463 3.832 10.673 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -0.117 5.619 11.300 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -1.702 6.363 11.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -1.208 5.563 13.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -2.520 4.706 12.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -0.984 3.985 12.859 1.00 0.00 H new ATOM 2000 N CYS A 129 -0.866 5.131 5.931 1.00 0.00 N ATOM 2001 CA CYS A 129 -1.586 6.323 5.510 1.00 0.00 C ATOM 2002 C CYS A 129 -2.742 6.667 6.470 1.00 0.00 C ATOM 2003 O CYS A 129 -3.106 5.889 7.368 1.00 0.00 O ATOM 2004 CB CYS A 129 -2.097 6.159 4.065 1.00 0.00 C ATOM 2005 SG CYS A 129 -0.722 5.886 2.869 1.00 0.00 S ATOM 0 H CYS A 129 -0.817 4.409 5.212 1.00 0.00 H new ATOM 0 HA CYS A 129 -0.888 7.159 5.540 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -2.789 5.318 4.019 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -2.657 7.048 3.776 1.00 0.00 H new ATOM 2010 N ASP A 130 -3.321 7.841 6.229 1.00 0.00 N ATOM 2011 CA ASP A 130 -4.443 8.319 7.029 1.00 0.00 C ATOM 2012 C ASP A 130 -5.367 9.268 6.300 1.00 0.00 C ATOM 2013 O ASP A 130 -4.855 9.963 5.388 1.00 0.00 O ATOM 2014 CB ASP A 130 -3.916 9.017 8.281 1.00 0.00 C ATOM 2015 CG ASP A 130 -4.984 9.038 9.394 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -5.039 8.029 10.141 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -5.460 10.151 9.711 1.00 0.00 O ATOM 2018 OXT ASP A 130 -6.551 9.197 6.669 1.00 0.00 O ATOM 0 H ASP A 130 -3.031 8.477 5.487 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.031 7.435 7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -3.023 8.504 8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -3.621 10.037 8.036 1.00 0.00 H new TER 2023 ASP A 130