USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=21 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 Set 1.1: A 56 ASN : amide:sc= 0 X(o=-1.2,f=-1) USER MOD Set 1.2: A 106 GLN : amide:sc= -1.24 X(o=-1.2,f=-1) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 37:sc= 0.203 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -166:sc= 0.341 (180deg=0.262) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 68:sc= 0.166 USER MOD Single : A 25 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.3!) USER MOD Single : A 27 GLN : amide:sc= -0.787 K(o=-0.79,f=-4.7!) 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 180:sc= -0.106 USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= 0.41 (180deg=0.211) USER MOD Single : A 38 SER OG : rot -103:sc= 0.881 USER MOD Single : A 42 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-4.7!) USER MOD Single : A 44 TYR OH : rot 30:sc= -1.28 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.0073) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -39:sc= 0.275 USER MOD Single : A 70 TYR OH : rot -43:sc= 0.638 USER MOD Single : A 74 LYS NZ :NH3+ -140:sc= 2.14 (180deg=-1.22) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0.49) USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= -0.0015 (180deg=-0.131) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0228 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 87 GLN : amide:sc= 0.462 K(o=0.46,f=-0.54) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot -87:sc= 0.152 USER MOD Single : A 98 TYR OH : rot -140:sc= -0.37 USER MOD Single : A 100 ASN : amide:sc= -4.09! C(o=-4.1!,f=-5.8!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= -0.183 USER MOD Single : A 111 MET CE :methyl -163:sc= -0.225 (180deg=-0.888) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0301 USER MOD Single : A 113 HIS : no HD1:sc= -7.59! C(o=-7.6!,f=-19!) USER MOD Single : A 114 SER OG : rot 180:sc= -0.0846 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= -0.0169 X(o=-0.017,f=-0.47) USER MOD Single : A 120 ASN : amide:sc= -1.35 K(o=-1.3,f=-0.68) USER MOD Single : A 121 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.52) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.393 10.936 4.123 1.00 0.00 N ATOM 2 CA ALA A 1 -14.560 11.434 3.018 1.00 0.00 C ATOM 3 C ALA A 1 -13.828 10.241 2.416 1.00 0.00 C ATOM 4 O ALA A 1 -13.025 9.655 3.120 1.00 0.00 O ATOM 5 CB ALA A 1 -13.593 12.523 3.500 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.907 11.730 4.555 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.074 10.240 3.758 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.788 10.485 4.838 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.180 11.903 2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.990 12.872 2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.161 13.358 3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.940 12.114 4.271 1.00 0.00 H new ATOM 13 N PRO A 2 -14.147 9.834 1.177 1.00 0.00 N ATOM 14 CA PRO A 2 -13.449 8.749 0.476 1.00 0.00 C ATOM 15 C PRO A 2 -12.008 9.107 0.056 1.00 0.00 C ATOM 16 O PRO A 2 -11.280 8.287 -0.488 1.00 0.00 O ATOM 17 CB PRO A 2 -14.343 8.440 -0.736 1.00 0.00 C ATOM 18 CG PRO A 2 -15.068 9.746 -1.020 1.00 0.00 C ATOM 19 CD PRO A 2 -15.227 10.367 0.362 1.00 0.00 C ATOM 0 HA PRO A 2 -13.311 7.887 1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.751 8.120 -1.594 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.046 7.636 -0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.492 10.389 -1.686 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -16.033 9.575 -1.497 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.173 11.454 0.308 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.197 10.117 0.791 1.00 0.00 H new ATOM 27 N ILE A 3 -11.571 10.332 0.312 1.00 0.00 N ATOM 28 CA ILE A 3 -10.235 10.812 -0.005 1.00 0.00 C ATOM 29 C ILE A 3 -9.449 10.988 1.288 1.00 0.00 C ATOM 30 O ILE A 3 -9.938 11.609 2.234 1.00 0.00 O ATOM 31 CB ILE A 3 -10.350 12.105 -0.827 1.00 0.00 C ATOM 32 CG1 ILE A 3 -8.992 12.490 -1.449 1.00 0.00 C ATOM 33 CG2 ILE A 3 -10.923 13.287 -0.016 1.00 0.00 C ATOM 34 CD1 ILE A 3 -8.589 11.576 -2.614 1.00 0.00 C ATOM 0 H ILE A 3 -12.154 11.039 0.759 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.688 10.093 -0.615 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.060 11.894 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.038 13.520 -1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.221 12.451 -0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.980 14.171 -0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.921 13.033 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.274 13.493 0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.626 11.896 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.513 10.548 -2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.342 11.634 -3.400 1.00 0.00 H new ATOM 46 N VAL A 4 -8.237 10.454 1.291 1.00 0.00 N ATOM 47 CA VAL A 4 -7.290 10.569 2.395 1.00 0.00 C ATOM 48 C VAL A 4 -5.928 11.045 1.897 1.00 0.00 C ATOM 49 O VAL A 4 -5.680 11.154 0.682 1.00 0.00 O ATOM 50 CB VAL A 4 -7.190 9.234 3.153 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.523 8.845 3.794 1.00 0.00 C ATOM 52 CG2 VAL A 4 -6.637 8.097 2.299 1.00 0.00 C ATOM 0 H VAL A 4 -7.873 9.914 0.506 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.655 11.321 3.094 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.466 9.400 3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.411 7.897 4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.826 9.618 4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.283 8.743 3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.592 7.184 2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.287 7.939 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.636 8.355 1.954 1.00 0.00 H new ATOM 62 N THR A 5 -5.040 11.357 2.835 1.00 0.00 N ATOM 63 CA THR A 5 -3.694 11.824 2.526 1.00 0.00 C ATOM 64 C THR A 5 -2.681 11.386 3.552 1.00 0.00 C ATOM 65 O THR A 5 -2.786 11.723 4.720 1.00 0.00 O ATOM 66 CB THR A 5 -3.581 13.344 2.407 1.00 0.00 C ATOM 67 OG1 THR A 5 -4.069 14.011 3.542 1.00 0.00 O ATOM 68 CG2 THR A 5 -4.337 13.878 1.196 1.00 0.00 C ATOM 0 H THR A 5 -5.235 11.293 3.834 1.00 0.00 H new ATOM 0 HA THR A 5 -3.484 11.369 1.558 1.00 0.00 H new ATOM 0 HB THR A 5 -2.514 13.540 2.300 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.843 13.497 4.346 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.230 14.962 1.149 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.929 13.434 0.288 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.393 13.621 1.284 1.00 0.00 H new ATOM 76 N CYS A 6 -1.637 10.717 3.085 1.00 0.00 N ATOM 77 CA CYS A 6 -0.619 10.215 3.997 1.00 0.00 C ATOM 78 C CYS A 6 0.225 11.373 4.547 1.00 0.00 C ATOM 79 O CYS A 6 0.256 12.439 3.922 1.00 0.00 O ATOM 80 CB CYS A 6 0.226 9.187 3.249 1.00 0.00 C ATOM 81 SG CYS A 6 -0.665 7.829 2.427 1.00 0.00 S ATOM 0 H CYS A 6 -1.473 10.512 2.099 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.079 9.731 4.859 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.812 9.713 2.495 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.933 8.751 3.955 1.00 0.00 H new ATOM 86 N ARG A 7 1.016 11.132 5.600 1.00 0.00 N ATOM 87 CA ARG A 7 1.978 12.094 6.185 1.00 0.00 C ATOM 88 C ARG A 7 3.471 11.713 6.013 1.00 0.00 C ATOM 89 O ARG A 7 4.258 11.907 6.940 1.00 0.00 O ATOM 90 CB ARG A 7 1.593 12.313 7.653 1.00 0.00 C ATOM 91 CG ARG A 7 0.249 13.040 7.782 1.00 0.00 C ATOM 92 CD ARG A 7 -0.151 13.090 9.252 1.00 0.00 C ATOM 93 NE ARG A 7 0.623 14.114 9.992 1.00 0.00 N ATOM 94 CZ ARG A 7 0.132 15.087 10.724 1.00 0.00 C ATOM 95 NH1 ARG A 7 -1.162 15.239 10.861 1.00 0.00 N ATOM 96 NH2 ARG A 7 0.936 15.918 11.321 1.00 0.00 N ATOM 0 H ARG A 7 1.009 10.237 6.088 1.00 0.00 H new ATOM 0 HA ARG A 7 1.901 13.026 5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.537 11.351 8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.370 12.893 8.151 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.327 14.050 7.379 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.515 12.523 7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.216 13.309 9.333 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.009 12.113 9.707 1.00 0.00 H new ATOM 0 HE ARG A 7 1.639 14.057 9.926 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.803 14.596 10.396 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.528 16.000 11.433 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.945 15.813 11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.557 16.675 11.890 1.00 0.00 H new ATOM 110 N PRO A 8 3.900 11.276 4.812 1.00 0.00 N ATOM 111 CA PRO A 8 5.272 10.891 4.533 1.00 0.00 C ATOM 112 C PRO A 8 6.218 12.078 4.615 1.00 0.00 C ATOM 113 O PRO A 8 5.833 13.248 4.720 1.00 0.00 O ATOM 114 CB PRO A 8 5.252 10.261 3.134 1.00 0.00 C ATOM 115 CG PRO A 8 4.097 10.962 2.461 1.00 0.00 C ATOM 116 CD PRO A 8 3.129 11.197 3.596 1.00 0.00 C ATOM 0 HA PRO A 8 5.645 10.184 5.274 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.189 10.427 2.603 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.098 9.183 3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.409 11.898 1.997 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.656 10.348 1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.568 12.118 3.437 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.402 10.387 3.654 1.00 0.00 H new ATOM 124 N LYS A 9 7.509 11.782 4.476 1.00 0.00 N ATOM 125 CA LYS A 9 8.565 12.782 4.474 1.00 0.00 C ATOM 126 C LYS A 9 9.193 12.865 3.098 1.00 0.00 C ATOM 127 O LYS A 9 9.456 11.834 2.467 1.00 0.00 O ATOM 128 CB LYS A 9 9.605 12.416 5.534 1.00 0.00 C ATOM 129 CG LYS A 9 10.367 13.640 6.039 1.00 0.00 C ATOM 130 CD LYS A 9 9.623 14.248 7.233 1.00 0.00 C ATOM 131 CE LYS A 9 10.038 13.562 8.536 1.00 0.00 C ATOM 132 NZ LYS A 9 9.342 14.168 9.697 1.00 0.00 N ATOM 0 H LYS A 9 7.851 10.828 4.360 1.00 0.00 H new ATOM 0 HA LYS A 9 8.151 13.761 4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.110 11.926 6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.310 11.697 5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.378 13.357 6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.461 14.377 5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.835 15.315 7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.548 14.145 7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.806 12.498 8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.117 13.646 8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.639 13.687 10.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.584 15.178 9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.314 14.065 9.578 1.00 0.00 H new ATOM 146 N LEU A 10 9.442 14.110 2.696 1.00 0.00 N ATOM 147 CA LEU A 10 10.149 14.438 1.468 1.00 0.00 C ATOM 148 C LEU A 10 11.601 14.788 1.808 1.00 0.00 C ATOM 149 O LEU A 10 12.454 13.909 1.840 1.00 0.00 O ATOM 150 CB LEU A 10 9.375 15.516 0.677 1.00 0.00 C ATOM 151 CG LEU A 10 9.774 15.723 -0.807 1.00 0.00 C ATOM 152 CD1 LEU A 10 11.235 15.437 -1.148 1.00 0.00 C ATOM 153 CD2 LEU A 10 8.873 14.908 -1.736 1.00 0.00 C ATOM 0 H LEU A 10 9.151 14.931 3.227 1.00 0.00 H new ATOM 0 HA LEU A 10 10.197 13.584 0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.315 15.265 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.494 16.467 1.196 1.00 0.00 H new ATOM 0 HG LEU A 10 9.636 16.793 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.402 15.614 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.880 16.094 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.467 14.398 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.174 15.071 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.964 13.849 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.837 15.222 -1.606 1.00 0.00 H new ATOM 165 N ASP A 11 11.836 16.051 2.171 1.00 0.00 N ATOM 166 CA ASP A 11 13.168 16.650 2.384 1.00 0.00 C ATOM 167 C ASP A 11 13.302 17.178 3.823 1.00 0.00 C ATOM 168 O ASP A 11 13.732 18.296 4.094 1.00 0.00 O ATOM 169 CB ASP A 11 13.446 17.761 1.350 1.00 0.00 C ATOM 170 CG ASP A 11 14.947 17.981 1.112 1.00 0.00 C ATOM 171 OD1 ASP A 11 15.714 17.010 1.299 1.00 0.00 O ATOM 172 OD2 ASP A 11 15.291 19.127 0.741 1.00 0.00 O ATOM 0 H ASP A 11 11.079 16.715 2.332 1.00 0.00 H new ATOM 0 HA ASP A 11 13.919 15.873 2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.966 17.503 0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.995 18.693 1.692 1.00 0.00 H new ATOM 177 N GLY A 12 12.742 16.433 4.775 1.00 0.00 N ATOM 178 CA GLY A 12 12.745 16.797 6.197 1.00 0.00 C ATOM 179 C GLY A 12 11.415 17.346 6.710 1.00 0.00 C ATOM 180 O GLY A 12 11.133 17.224 7.904 1.00 0.00 O ATOM 0 H GLY A 12 12.268 15.551 4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.012 15.918 6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.522 17.542 6.367 1.00 0.00 H new ATOM 184 N ARG A 13 10.566 17.878 5.822 1.00 0.00 N ATOM 185 CA ARG A 13 9.193 18.317 6.136 1.00 0.00 C ATOM 186 C ARG A 13 8.156 17.232 5.836 1.00 0.00 C ATOM 187 O ARG A 13 8.413 16.322 5.044 1.00 0.00 O ATOM 188 CB ARG A 13 8.891 19.631 5.401 1.00 0.00 C ATOM 189 CG ARG A 13 8.594 19.430 3.904 1.00 0.00 C ATOM 190 CD ARG A 13 8.519 20.775 3.180 1.00 0.00 C ATOM 191 NE ARG A 13 9.860 21.351 2.940 1.00 0.00 N ATOM 192 CZ ARG A 13 10.111 22.572 2.500 1.00 0.00 C ATOM 193 NH1 ARG A 13 9.135 23.400 2.247 1.00 0.00 N ATOM 194 NH2 ARG A 13 11.332 22.986 2.315 1.00 0.00 N ATOM 0 H ARG A 13 10.816 18.020 4.843 1.00 0.00 H new ATOM 0 HA ARG A 13 9.125 18.499 7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.037 20.116 5.873 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.741 20.305 5.510 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.371 18.813 3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.652 18.894 3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.004 20.646 2.228 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.925 21.472 3.771 1.00 0.00 H new ATOM 0 HE ARG A 13 10.663 20.752 3.131 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.168 23.107 2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.339 24.340 1.908 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.116 22.364 2.510 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.504 23.932 1.975 1.00 0.00 H new ATOM 208 N GLU A 14 6.979 17.356 6.440 1.00 0.00 N ATOM 209 CA GLU A 14 5.831 16.471 6.196 1.00 0.00 C ATOM 210 C GLU A 14 5.179 16.828 4.857 1.00 0.00 C ATOM 211 O GLU A 14 4.724 17.959 4.662 1.00 0.00 O ATOM 212 CB GLU A 14 4.799 16.566 7.335 1.00 0.00 C ATOM 213 CG GLU A 14 5.396 16.181 8.696 1.00 0.00 C ATOM 214 CD GLU A 14 4.325 16.013 9.799 1.00 0.00 C ATOM 215 OE1 GLU A 14 3.313 15.292 9.620 1.00 0.00 O ATOM 216 OE2 GLU A 14 4.516 16.634 10.865 1.00 0.00 O ATOM 0 H GLU A 14 6.786 18.086 7.126 1.00 0.00 H new ATOM 0 HA GLU A 14 6.192 15.443 6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.410 17.583 7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.955 15.913 7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.952 15.249 8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.109 16.946 9.003 1.00 0.00 H new ATOM 223 N LYS A 15 5.182 15.888 3.908 1.00 0.00 N ATOM 224 CA LYS A 15 4.576 16.070 2.589 1.00 0.00 C ATOM 225 C LYS A 15 3.291 15.239 2.475 1.00 0.00 C ATOM 226 O LYS A 15 3.386 14.024 2.450 1.00 0.00 O ATOM 227 CB LYS A 15 5.593 15.734 1.487 1.00 0.00 C ATOM 228 CG LYS A 15 5.187 16.379 0.151 1.00 0.00 C ATOM 229 CD LYS A 15 4.175 15.549 -0.651 1.00 0.00 C ATOM 230 CE LYS A 15 3.313 16.455 -1.532 1.00 0.00 C ATOM 231 NZ LYS A 15 2.639 15.658 -2.578 1.00 0.00 N ATOM 0 H LYS A 15 5.610 14.971 4.036 1.00 0.00 H new ATOM 0 HA LYS A 15 4.294 17.115 2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.582 16.086 1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.662 14.653 1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.762 17.364 0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.080 16.532 -0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.702 14.824 -1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.539 14.984 0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.571 16.969 -0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.934 17.223 -1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.254 16.294 -3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.324 15.008 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.865 15.110 -2.152 1.00 0.00 H new ATOM 245 N PRO A 16 2.111 15.839 2.257 1.00 0.00 N ATOM 246 CA PRO A 16 0.858 15.099 2.100 1.00 0.00 C ATOM 247 C PRO A 16 0.803 14.259 0.811 1.00 0.00 C ATOM 248 O PRO A 16 0.973 14.790 -0.302 1.00 0.00 O ATOM 249 CB PRO A 16 -0.246 16.154 2.125 1.00 0.00 C ATOM 250 CG PRO A 16 0.461 17.416 1.629 1.00 0.00 C ATOM 251 CD PRO A 16 1.888 17.264 2.142 1.00 0.00 C ATOM 0 HA PRO A 16 0.749 14.368 2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.079 15.879 1.478 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.652 16.288 3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.433 17.488 0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.010 18.318 2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.602 17.718 1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.013 17.759 3.105 1.00 0.00 H new ATOM 259 N PHE A 17 0.512 12.958 0.923 1.00 0.00 N ATOM 260 CA PHE A 17 0.400 12.053 -0.227 1.00 0.00 C ATOM 261 C PHE A 17 -1.052 11.709 -0.546 1.00 0.00 C ATOM 262 O PHE A 17 -1.697 10.970 0.184 1.00 0.00 O ATOM 263 CB PHE A 17 1.220 10.777 -0.020 1.00 0.00 C ATOM 264 CG PHE A 17 2.023 10.353 -1.238 1.00 0.00 C ATOM 265 CD1 PHE A 17 1.486 10.467 -2.536 1.00 0.00 C ATOM 266 CD2 PHE A 17 3.305 9.799 -1.076 1.00 0.00 C ATOM 267 CE1 PHE A 17 2.255 10.093 -3.648 1.00 0.00 C ATOM 268 CE2 PHE A 17 4.069 9.414 -2.184 1.00 0.00 C ATOM 269 CZ PHE A 17 3.544 9.561 -3.478 1.00 0.00 C ATOM 0 H PHE A 17 0.347 12.500 1.819 1.00 0.00 H new ATOM 0 HA PHE A 17 0.810 12.587 -1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.902 10.927 0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.547 9.966 0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.483 10.842 -2.675 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.706 9.669 -0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.853 10.215 -4.643 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.059 9.005 -2.044 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.128 9.267 -4.338 1.00 0.00 H new ATOM 279 N LYS A 18 -1.578 12.230 -1.657 1.00 0.00 N ATOM 280 CA LYS A 18 -2.945 11.959 -2.117 1.00 0.00 C ATOM 281 C LYS A 18 -3.191 10.481 -2.296 1.00 0.00 C ATOM 282 O LYS A 18 -2.419 9.816 -2.972 1.00 0.00 O ATOM 283 CB LYS A 18 -3.188 12.673 -3.457 1.00 0.00 C ATOM 284 CG LYS A 18 -2.893 14.183 -3.480 1.00 0.00 C ATOM 285 CD LYS A 18 -4.066 15.019 -2.958 1.00 0.00 C ATOM 286 CE LYS A 18 -5.102 15.235 -4.069 1.00 0.00 C ATOM 287 NZ LYS A 18 -6.176 16.164 -3.646 1.00 0.00 N ATOM 0 H LYS A 18 -1.061 12.860 -2.271 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.631 12.331 -1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.575 12.192 -4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.229 12.522 -3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.009 14.386 -2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.659 14.489 -4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.531 14.516 -2.110 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.703 15.982 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.607 15.631 -4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.540 14.277 -4.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.857 16.285 -4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.665 15.774 -2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.761 17.086 -3.403 1.00 0.00 H new ATOM 301 N VAL A 19 -4.320 10.034 -1.770 1.00 0.00 N ATOM 302 CA VAL A 19 -4.755 8.653 -1.789 1.00 0.00 C ATOM 303 C VAL A 19 -6.280 8.621 -1.823 1.00 0.00 C ATOM 304 O VAL A 19 -6.959 9.122 -0.936 1.00 0.00 O ATOM 305 CB VAL A 19 -4.172 7.936 -0.563 1.00 0.00 C ATOM 306 CG1 VAL A 19 -4.965 6.692 -0.231 1.00 0.00 C ATOM 307 CG2 VAL A 19 -2.740 7.456 -0.826 1.00 0.00 C ATOM 0 H VAL A 19 -4.983 10.651 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.396 8.130 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.204 8.661 0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.529 6.205 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.998 6.966 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.940 6.008 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.356 6.953 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.737 6.762 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.107 8.312 -1.060 1.00 0.00 H new ATOM 317 N ASP A 20 -6.831 8.009 -2.858 1.00 0.00 N ATOM 318 CA ASP A 20 -8.258 7.716 -2.934 1.00 0.00 C ATOM 319 C ASP A 20 -8.556 6.291 -2.450 1.00 0.00 C ATOM 320 O ASP A 20 -7.833 5.338 -2.770 1.00 0.00 O ATOM 321 CB ASP A 20 -8.705 7.938 -4.372 1.00 0.00 C ATOM 322 CG ASP A 20 -10.079 7.341 -4.631 1.00 0.00 C ATOM 323 OD1 ASP A 20 -11.002 7.580 -3.822 1.00 0.00 O ATOM 324 OD2 ASP A 20 -10.148 6.554 -5.591 1.00 0.00 O ATOM 0 H ASP A 20 -6.302 7.699 -3.673 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.818 8.380 -2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.726 9.007 -4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.980 7.491 -5.052 1.00 0.00 H new ATOM 329 N VAL A 21 -9.650 6.161 -1.694 1.00 0.00 N ATOM 330 CA VAL A 21 -10.200 4.882 -1.237 1.00 0.00 C ATOM 331 C VAL A 21 -10.581 3.989 -2.401 1.00 0.00 C ATOM 332 O VAL A 21 -10.183 2.825 -2.399 1.00 0.00 O ATOM 333 CB VAL A 21 -11.419 5.051 -0.310 1.00 0.00 C ATOM 334 CG1 VAL A 21 -12.630 5.697 -0.995 1.00 0.00 C ATOM 335 CG2 VAL A 21 -11.917 3.717 0.272 1.00 0.00 C ATOM 0 H VAL A 21 -10.192 6.964 -1.375 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.401 4.411 -0.664 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.041 5.704 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.449 5.783 -0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.358 6.689 -1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.945 5.079 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.777 3.900 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.208 3.051 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.120 3.253 0.853 1.00 0.00 H new ATOM 345 N ALA A 22 -11.367 4.505 -3.356 1.00 0.00 N ATOM 346 CA ALA A 22 -11.902 3.752 -4.485 1.00 0.00 C ATOM 347 C ALA A 22 -10.760 3.032 -5.186 1.00 0.00 C ATOM 348 O ALA A 22 -10.832 1.817 -5.346 1.00 0.00 O ATOM 349 CB ALA A 22 -12.679 4.671 -5.442 1.00 0.00 C ATOM 0 H ALA A 22 -11.652 5.484 -3.359 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.613 3.008 -4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.067 4.084 -6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.508 5.135 -4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.014 5.446 -5.823 1.00 0.00 H new ATOM 355 N THR A 23 -9.677 3.759 -5.475 1.00 0.00 N ATOM 356 CA THR A 23 -8.443 3.209 -6.025 1.00 0.00 C ATOM 357 C THR A 23 -7.860 2.161 -5.087 1.00 0.00 C ATOM 358 O THR A 23 -7.734 1.007 -5.486 1.00 0.00 O ATOM 359 CB THR A 23 -7.403 4.298 -6.295 1.00 0.00 C ATOM 360 OG1 THR A 23 -7.851 5.221 -7.253 1.00 0.00 O ATOM 361 CG2 THR A 23 -6.126 3.708 -6.884 1.00 0.00 C ATOM 0 H THR A 23 -9.637 4.768 -5.329 1.00 0.00 H new ATOM 0 HA THR A 23 -8.696 2.742 -6.977 1.00 0.00 H new ATOM 0 HB THR A 23 -7.228 4.775 -5.331 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.596 5.739 -6.884 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.406 4.506 -7.065 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.701 2.988 -6.184 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.357 3.207 -7.824 1.00 0.00 H new ATOM 369 N ALA A 24 -7.490 2.528 -3.853 1.00 0.00 N ATOM 370 CA ALA A 24 -6.844 1.607 -2.921 1.00 0.00 C ATOM 371 C ALA A 24 -7.580 0.260 -2.831 1.00 0.00 C ATOM 372 O ALA A 24 -6.972 -0.801 -2.986 1.00 0.00 O ATOM 373 CB ALA A 24 -6.740 2.269 -1.546 1.00 0.00 C ATOM 0 H ALA A 24 -7.631 3.466 -3.479 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.844 1.388 -3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.258 1.584 -0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.149 3.181 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.738 2.514 -1.184 1.00 0.00 H new ATOM 379 N GLN A 25 -8.899 0.316 -2.634 1.00 0.00 N ATOM 380 CA GLN A 25 -9.789 -0.835 -2.575 1.00 0.00 C ATOM 381 C GLN A 25 -9.782 -1.628 -3.885 1.00 0.00 C ATOM 382 O GLN A 25 -9.683 -2.859 -3.851 1.00 0.00 O ATOM 383 CB GLN A 25 -11.217 -0.354 -2.279 1.00 0.00 C ATOM 384 CG GLN A 25 -12.114 -1.515 -1.823 1.00 0.00 C ATOM 385 CD GLN A 25 -11.913 -1.850 -0.356 1.00 0.00 C ATOM 386 OE1 GLN A 25 -11.494 -2.942 -0.010 1.00 0.00 O ATOM 387 NE2 GLN A 25 -12.207 -0.920 0.531 1.00 0.00 N ATOM 0 H GLN A 25 -9.391 1.201 -2.507 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.435 -1.495 -1.783 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.191 0.414 -1.506 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.640 0.106 -3.172 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.158 -1.255 -1.995 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.901 -2.396 -2.428 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.556 -0.013 0.222 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.085 -1.108 1.526 1.00 0.00 H new ATOM 396 N ALA A 26 -9.908 -0.931 -5.026 1.00 0.00 N ATOM 397 CA ALA A 26 -9.869 -1.540 -6.352 1.00 0.00 C ATOM 398 C ALA A 26 -8.646 -2.440 -6.469 1.00 0.00 C ATOM 399 O ALA A 26 -8.816 -3.613 -6.791 1.00 0.00 O ATOM 400 CB ALA A 26 -9.908 -0.496 -7.485 1.00 0.00 C ATOM 0 H ALA A 26 -10.041 0.080 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.769 -2.144 -6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.877 -1.004 -8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.826 0.087 -7.411 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.049 0.169 -7.397 1.00 0.00 H new ATOM 406 N GLN A 27 -7.469 -1.929 -6.113 1.00 0.00 N ATOM 407 CA GLN A 27 -6.205 -2.656 -6.171 1.00 0.00 C ATOM 408 C GLN A 27 -6.190 -3.857 -5.223 1.00 0.00 C ATOM 409 O GLN A 27 -5.906 -4.977 -5.645 1.00 0.00 O ATOM 410 CB GLN A 27 -5.057 -1.709 -5.829 1.00 0.00 C ATOM 411 CG GLN A 27 -4.995 -0.467 -6.710 1.00 0.00 C ATOM 412 CD GLN A 27 -4.862 -0.800 -8.167 1.00 0.00 C ATOM 413 OE1 GLN A 27 -5.761 -0.536 -8.931 1.00 0.00 O ATOM 414 NE2 GLN A 27 -3.744 -1.363 -8.571 1.00 0.00 N ATOM 0 H GLN A 27 -7.367 -0.975 -5.768 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.085 -3.039 -7.185 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.153 -1.399 -4.788 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.115 -2.250 -5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.896 0.128 -6.558 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.150 0.150 -6.403 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.006 -1.572 -7.898 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.615 -1.591 -9.557 1.00 0.00 H new ATOM 423 N ALA A 28 -6.564 -3.644 -3.956 1.00 0.00 N ATOM 424 CA ALA A 28 -6.616 -4.691 -2.934 1.00 0.00 C ATOM 425 C ALA A 28 -7.421 -5.899 -3.416 1.00 0.00 C ATOM 426 O ALA A 28 -6.956 -7.041 -3.394 1.00 0.00 O ATOM 427 CB ALA A 28 -7.238 -4.125 -1.650 1.00 0.00 C ATOM 0 H ALA A 28 -6.843 -2.726 -3.609 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.598 -5.025 -2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.276 -4.905 -0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.632 -3.295 -1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.248 -3.773 -1.860 1.00 0.00 H new ATOM 433 N ARG A 29 -8.648 -5.631 -3.881 1.00 0.00 N ATOM 434 CA ARG A 29 -9.532 -6.655 -4.426 1.00 0.00 C ATOM 435 C ARG A 29 -8.976 -7.244 -5.714 1.00 0.00 C ATOM 436 O ARG A 29 -9.061 -8.454 -5.903 1.00 0.00 O ATOM 437 CB ARG A 29 -10.943 -6.079 -4.626 1.00 0.00 C ATOM 438 CG ARG A 29 -11.934 -7.195 -4.998 1.00 0.00 C ATOM 439 CD ARG A 29 -11.995 -7.491 -6.510 1.00 0.00 C ATOM 440 NE ARG A 29 -12.952 -6.607 -7.195 1.00 0.00 N ATOM 441 CZ ARG A 29 -14.244 -6.845 -7.327 1.00 0.00 C ATOM 442 NH1 ARG A 29 -14.786 -7.926 -6.840 1.00 0.00 N ATOM 443 NH2 ARG A 29 -15.009 -6.000 -7.949 1.00 0.00 N ATOM 0 H ARG A 29 -9.051 -4.694 -3.887 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.596 -7.474 -3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.272 -5.582 -3.713 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.926 -5.324 -5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.656 -8.107 -4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.929 -6.916 -4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.004 -7.364 -6.947 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.282 -8.531 -6.667 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.589 -5.744 -7.599 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.210 -8.607 -6.346 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.786 -8.090 -6.953 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.613 -5.145 -8.340 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.006 -6.191 -8.047 1.00 0.00 H new ATOM 457 N LYS A 30 -8.546 -6.396 -6.658 1.00 0.00 N ATOM 458 CA LYS A 30 -8.005 -6.804 -7.968 1.00 0.00 C ATOM 459 C LYS A 30 -6.909 -7.848 -7.827 1.00 0.00 C ATOM 460 O LYS A 30 -6.906 -8.816 -8.584 1.00 0.00 O ATOM 461 CB LYS A 30 -7.439 -5.589 -8.729 1.00 0.00 C ATOM 462 CG LYS A 30 -8.499 -4.879 -9.574 1.00 0.00 C ATOM 463 CD LYS A 30 -8.767 -5.660 -10.866 1.00 0.00 C ATOM 464 CE LYS A 30 -10.083 -5.219 -11.511 1.00 0.00 C ATOM 465 NZ LYS A 30 -11.232 -5.989 -10.973 1.00 0.00 N ATOM 0 H LYS A 30 -8.564 -5.384 -6.532 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.833 -7.238 -8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.016 -4.883 -8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.624 -5.917 -9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.422 -4.781 -9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.165 -3.870 -9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.945 -5.506 -11.565 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.804 -6.727 -10.649 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.240 -4.155 -11.332 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.025 -5.355 -12.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.110 -5.667 -11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.092 -7.001 -11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.300 -5.838 -9.946 1.00 0.00 H new ATOM 479 N ALA A 31 -6.026 -7.638 -6.862 1.00 0.00 N ATOM 480 CA ALA A 31 -4.988 -8.579 -6.512 1.00 0.00 C ATOM 481 C ALA A 31 -5.520 -9.802 -5.756 1.00 0.00 C ATOM 482 O ALA A 31 -5.136 -10.932 -6.071 1.00 0.00 O ATOM 483 CB ALA A 31 -3.983 -7.802 -5.687 1.00 0.00 C ATOM 0 H ALA A 31 -6.016 -6.791 -6.293 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.533 -8.994 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.168 -8.462 -5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.585 -6.978 -6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.472 -7.405 -4.797 1.00 0.00 H new ATOM 489 N GLY A 32 -6.411 -9.583 -4.784 1.00 0.00 N ATOM 490 CA GLY A 32 -6.976 -10.654 -3.973 1.00 0.00 C ATOM 491 C GLY A 32 -5.927 -11.252 -3.037 1.00 0.00 C ATOM 492 O GLY A 32 -4.925 -10.614 -2.722 1.00 0.00 O ATOM 0 H GLY A 32 -6.758 -8.655 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.811 -10.269 -3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.374 -11.434 -4.622 1.00 0.00 H new ATOM 496 N LEU A 33 -6.155 -12.477 -2.573 1.00 0.00 N ATOM 497 CA LEU A 33 -5.294 -13.152 -1.591 1.00 0.00 C ATOM 498 C LEU A 33 -4.498 -14.305 -2.213 1.00 0.00 C ATOM 499 O LEU A 33 -4.259 -15.330 -1.577 1.00 0.00 O ATOM 500 CB LEU A 33 -6.135 -13.635 -0.411 1.00 0.00 C ATOM 501 CG LEU A 33 -7.123 -12.610 0.158 1.00 0.00 C ATOM 502 CD1 LEU A 33 -8.223 -13.387 0.842 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.476 -11.634 1.128 1.00 0.00 C ATOM 0 H LEU A 33 -6.952 -13.041 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.561 -12.429 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.693 -14.518 -0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.463 -13.948 0.388 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.510 -11.998 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.951 -12.693 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.716 -14.035 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.797 -13.995 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.227 -10.935 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.050 -12.184 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.686 -11.083 0.617 1.00 0.00 H new ATOM 515 N THR A 34 -4.111 -14.139 -3.478 1.00 0.00 N ATOM 516 CA THR A 34 -3.471 -15.195 -4.264 1.00 0.00 C ATOM 517 C THR A 34 -2.496 -14.600 -5.279 1.00 0.00 C ATOM 518 O THR A 34 -2.879 -13.990 -6.286 1.00 0.00 O ATOM 519 CB THR A 34 -4.494 -16.076 -5.002 1.00 0.00 C ATOM 520 OG1 THR A 34 -5.541 -16.518 -4.167 1.00 0.00 O ATOM 521 CG2 THR A 34 -3.810 -17.333 -5.540 1.00 0.00 C ATOM 0 H THR A 34 -4.233 -13.265 -3.989 1.00 0.00 H new ATOM 0 HA THR A 34 -2.930 -15.823 -3.556 1.00 0.00 H new ATOM 0 HB THR A 34 -4.903 -15.454 -5.798 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.162 -17.071 -4.686 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.542 -17.951 -6.061 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.017 -17.048 -6.232 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.383 -17.898 -4.711 1.00 0.00 H new ATOM 529 N THR A 35 -1.207 -14.820 -5.041 1.00 0.00 N ATOM 530 CA THR A 35 -0.114 -14.405 -5.923 1.00 0.00 C ATOM 531 C THR A 35 0.668 -15.601 -6.442 1.00 0.00 C ATOM 532 O THR A 35 0.678 -16.661 -5.827 1.00 0.00 O ATOM 533 CB THR A 35 0.832 -13.463 -5.188 1.00 0.00 C ATOM 534 OG1 THR A 35 1.798 -13.029 -6.116 1.00 0.00 O ATOM 535 CG2 THR A 35 1.581 -14.132 -4.029 1.00 0.00 C ATOM 0 H THR A 35 -0.881 -15.306 -4.205 1.00 0.00 H new ATOM 0 HA THR A 35 -0.559 -13.888 -6.773 1.00 0.00 H new ATOM 0 HB THR A 35 0.232 -12.655 -4.770 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.424 -12.418 -5.675 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.236 -13.404 -3.551 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.863 -14.508 -3.300 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.177 -14.961 -4.411 1.00 0.00 H new ATOM 543 N GLY A 36 1.359 -15.403 -7.560 1.00 0.00 N ATOM 544 CA GLY A 36 2.223 -16.406 -8.181 1.00 0.00 C ATOM 545 C GLY A 36 2.311 -16.266 -9.698 1.00 0.00 C ATOM 546 O GLY A 36 2.242 -17.258 -10.410 1.00 0.00 O ATOM 0 H GLY A 36 1.335 -14.521 -8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.224 -16.327 -7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.850 -17.400 -7.935 1.00 0.00 H new ATOM 550 N LYS A 37 2.414 -15.026 -10.188 1.00 0.00 N ATOM 551 CA LYS A 37 2.490 -14.691 -11.621 1.00 0.00 C ATOM 552 C LYS A 37 3.688 -13.810 -11.959 1.00 0.00 C ATOM 553 O LYS A 37 4.389 -14.047 -12.931 1.00 0.00 O ATOM 554 CB LYS A 37 1.175 -14.065 -12.113 1.00 0.00 C ATOM 555 CG LYS A 37 0.516 -13.046 -11.164 1.00 0.00 C ATOM 556 CD LYS A 37 -0.518 -13.656 -10.206 1.00 0.00 C ATOM 557 CE LYS A 37 -1.593 -12.624 -9.848 1.00 0.00 C ATOM 558 NZ LYS A 37 -2.789 -13.286 -9.265 1.00 0.00 N ATOM 0 H LYS A 37 2.448 -14.203 -9.586 1.00 0.00 H new ATOM 0 HA LYS A 37 2.640 -15.629 -12.155 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.364 -13.573 -13.067 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.463 -14.868 -12.304 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.294 -12.557 -10.578 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.031 -12.272 -11.759 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.982 -14.527 -10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.022 -14.003 -9.299 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.189 -11.903 -9.137 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.879 -12.066 -10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.623 -12.680 -9.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.943 -14.201 -9.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.639 -13.441 -8.248 1.00 0.00 H new ATOM 572 N SER A 38 3.930 -12.796 -11.132 1.00 0.00 N ATOM 573 CA SER A 38 5.021 -11.839 -11.309 1.00 0.00 C ATOM 574 C SER A 38 5.713 -11.534 -9.999 1.00 0.00 C ATOM 575 O SER A 38 6.901 -11.799 -9.839 1.00 0.00 O ATOM 576 CB SER A 38 4.470 -10.560 -11.911 1.00 0.00 C ATOM 577 OG SER A 38 3.371 -10.086 -11.150 1.00 0.00 O ATOM 0 H SER A 38 3.363 -12.612 -10.304 1.00 0.00 H new ATOM 0 HA SER A 38 5.760 -12.281 -11.978 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.251 -9.801 -11.944 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.157 -10.741 -12.939 1.00 0.00 H new ATOM 0 HG SER A 38 2.535 -10.302 -11.613 1.00 0.00 H new ATOM 583 N GLY A 39 4.969 -10.978 -9.056 1.00 0.00 N ATOM 584 CA GLY A 39 5.505 -10.573 -7.778 1.00 0.00 C ATOM 585 C GLY A 39 4.498 -9.824 -6.941 1.00 0.00 C ATOM 586 O GLY A 39 4.942 -9.012 -6.143 1.00 0.00 O ATOM 0 H GLY A 39 3.971 -10.796 -9.162 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.842 -11.455 -7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.380 -9.943 -7.938 1.00 0.00 H new ATOM 590 N ASP A 40 3.196 -10.052 -7.133 1.00 0.00 N ATOM 591 CA ASP A 40 2.125 -9.424 -6.375 1.00 0.00 C ATOM 592 C ASP A 40 0.759 -10.143 -6.542 1.00 0.00 C ATOM 593 O ASP A 40 0.511 -10.840 -7.540 1.00 0.00 O ATOM 594 CB ASP A 40 2.034 -7.927 -6.698 1.00 0.00 C ATOM 595 CG ASP A 40 2.038 -7.626 -8.190 1.00 0.00 C ATOM 596 OD1 ASP A 40 1.059 -7.993 -8.869 1.00 0.00 O ATOM 597 OD2 ASP A 40 3.039 -6.999 -8.606 1.00 0.00 O ATOM 0 H ASP A 40 2.854 -10.699 -7.843 1.00 0.00 H new ATOM 0 HA ASP A 40 2.380 -9.526 -5.320 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.123 -7.523 -6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.872 -7.411 -6.229 1.00 0.00 H new ATOM 602 N PRO A 41 -0.133 -10.010 -5.536 1.00 0.00 N ATOM 603 CA PRO A 41 0.100 -9.351 -4.239 1.00 0.00 C ATOM 604 C PRO A 41 1.157 -10.022 -3.366 1.00 0.00 C ATOM 605 O PRO A 41 1.711 -11.052 -3.723 1.00 0.00 O ATOM 606 CB PRO A 41 -1.263 -9.326 -3.560 1.00 0.00 C ATOM 607 CG PRO A 41 -1.993 -10.531 -4.146 1.00 0.00 C ATOM 608 CD PRO A 41 -1.449 -10.629 -5.567 1.00 0.00 C ATOM 0 HA PRO A 41 0.513 -8.355 -4.396 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.170 -9.404 -2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.795 -8.398 -3.768 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.790 -11.438 -3.576 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.073 -10.386 -4.140 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.384 -11.668 -5.889 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.104 -10.117 -6.272 1.00 0.00 H new ATOM 616 N HIS A 42 1.506 -9.425 -2.231 1.00 0.00 N ATOM 617 CA HIS A 42 2.505 -10.007 -1.318 1.00 0.00 C ATOM 618 C HIS A 42 1.854 -10.280 0.027 1.00 0.00 C ATOM 619 O HIS A 42 1.006 -9.503 0.453 1.00 0.00 O ATOM 620 CB HIS A 42 3.743 -9.107 -1.164 1.00 0.00 C ATOM 621 CG HIS A 42 3.974 -8.133 -2.286 1.00 0.00 C ATOM 622 ND1 HIS A 42 3.331 -6.922 -2.452 1.00 0.00 N ATOM 623 CD2 HIS A 42 4.782 -8.342 -3.360 1.00 0.00 C ATOM 624 CE1 HIS A 42 3.757 -6.393 -3.613 1.00 0.00 C ATOM 625 NE2 HIS A 42 4.642 -7.236 -4.174 1.00 0.00 N ATOM 0 H HIS A 42 1.116 -8.537 -1.914 1.00 0.00 H new ATOM 0 HA HIS A 42 2.859 -10.945 -1.747 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.652 -8.548 -0.233 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.624 -9.742 -1.069 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.409 -9.203 -3.540 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.440 -5.447 -4.027 1.00 0.00 H new ATOM 0 HE2 HIS A 42 5.130 -7.083 -5.057 1.00 0.00 H new ATOM 634 N ARG A 43 2.240 -11.375 0.680 1.00 0.00 N ATOM 635 CA ARG A 43 1.765 -11.732 2.018 1.00 0.00 C ATOM 636 C ARG A 43 2.331 -10.756 3.036 1.00 0.00 C ATOM 637 O ARG A 43 3.544 -10.696 3.193 1.00 0.00 O ATOM 638 CB ARG A 43 2.203 -13.162 2.361 1.00 0.00 C ATOM 639 CG ARG A 43 1.201 -14.184 1.822 1.00 0.00 C ATOM 640 CD ARG A 43 -0.061 -14.257 2.697 1.00 0.00 C ATOM 641 NE ARG A 43 0.247 -14.782 4.036 1.00 0.00 N ATOM 642 CZ ARG A 43 0.358 -16.055 4.361 1.00 0.00 C ATOM 643 NH1 ARG A 43 0.181 -17.004 3.482 1.00 0.00 N ATOM 644 NH2 ARG A 43 0.647 -16.395 5.582 1.00 0.00 N ATOM 0 H ARG A 43 2.900 -12.048 0.291 1.00 0.00 H new ATOM 0 HA ARG A 43 0.676 -11.681 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.189 -13.356 1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.293 -13.270 3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.922 -13.918 0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.671 -15.167 1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.502 -13.264 2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.803 -14.894 2.216 1.00 0.00 H new ATOM 0 HE ARG A 43 0.387 -14.099 4.781 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.049 -16.769 2.517 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.273 -17.981 3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.789 -15.676 6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.732 -17.381 5.830 1.00 0.00 H new ATOM 658 N TYR A 44 1.448 -10.027 3.698 1.00 0.00 N ATOM 659 CA TYR A 44 1.809 -9.147 4.800 1.00 0.00 C ATOM 660 C TYR A 44 1.625 -9.911 6.117 1.00 0.00 C ATOM 661 O TYR A 44 0.653 -10.648 6.297 1.00 0.00 O ATOM 662 CB TYR A 44 0.953 -7.879 4.720 1.00 0.00 C ATOM 663 CG TYR A 44 1.268 -6.792 5.721 1.00 0.00 C ATOM 664 CD1 TYR A 44 1.050 -6.969 7.104 1.00 0.00 C ATOM 665 CD2 TYR A 44 1.803 -5.584 5.256 1.00 0.00 C ATOM 666 CE1 TYR A 44 1.407 -5.969 8.023 1.00 0.00 C ATOM 667 CE2 TYR A 44 2.177 -4.587 6.171 1.00 0.00 C ATOM 668 CZ TYR A 44 1.987 -4.776 7.549 1.00 0.00 C ATOM 669 OH TYR A 44 2.317 -3.764 8.381 1.00 0.00 O ATOM 0 H TYR A 44 0.451 -10.029 3.484 1.00 0.00 H new ATOM 0 HA TYR A 44 2.853 -8.837 4.744 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.054 -7.461 3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.092 -8.164 4.842 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.603 -7.885 7.460 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.928 -5.420 4.196 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.239 -6.113 9.080 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.614 -3.667 5.812 1.00 0.00 H new ATOM 0 HH TYR A 44 2.550 -4.127 9.261 1.00 0.00 H new ATOM 679 N PHE A 45 2.547 -9.709 7.044 1.00 0.00 N ATOM 680 CA PHE A 45 2.523 -10.243 8.403 1.00 0.00 C ATOM 681 C PHE A 45 2.656 -9.115 9.433 1.00 0.00 C ATOM 682 O PHE A 45 3.138 -8.033 9.106 1.00 0.00 O ATOM 683 CB PHE A 45 3.677 -11.239 8.549 1.00 0.00 C ATOM 684 CG PHE A 45 4.946 -10.892 7.804 1.00 0.00 C ATOM 685 CD1 PHE A 45 5.877 -10.020 8.390 1.00 0.00 C ATOM 686 CD2 PHE A 45 5.183 -11.419 6.524 1.00 0.00 C ATOM 687 CE1 PHE A 45 7.049 -9.671 7.703 1.00 0.00 C ATOM 688 CE2 PHE A 45 6.357 -11.075 5.833 1.00 0.00 C ATOM 689 CZ PHE A 45 7.291 -10.202 6.423 1.00 0.00 C ATOM 0 H PHE A 45 3.375 -9.141 6.864 1.00 0.00 H new ATOM 0 HA PHE A 45 1.572 -10.744 8.585 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.915 -11.337 9.608 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.334 -12.216 8.208 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.690 -9.616 9.374 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.465 -12.087 6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.762 -8.998 8.155 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.543 -11.480 4.849 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.194 -9.940 5.892 1.00 0.00 H new ATOM 699 N ALA A 46 2.322 -9.380 10.696 1.00 0.00 N ATOM 700 CA ALA A 46 2.448 -8.432 11.817 1.00 0.00 C ATOM 701 C ALA A 46 3.914 -8.188 12.266 1.00 0.00 C ATOM 702 O ALA A 46 4.228 -8.116 13.453 1.00 0.00 O ATOM 703 CB ALA A 46 1.589 -8.918 12.987 1.00 0.00 C ATOM 0 H ALA A 46 1.945 -10.284 10.982 1.00 0.00 H new ATOM 0 HA ALA A 46 2.090 -7.465 11.465 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.679 -8.220 13.819 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.547 -8.977 12.673 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.929 -9.904 13.303 1.00 0.00 H new ATOM 709 N GLY A 47 4.838 -8.115 11.310 1.00 0.00 N ATOM 710 CA GLY A 47 6.260 -7.869 11.540 1.00 0.00 C ATOM 711 C GLY A 47 6.593 -6.386 11.620 1.00 0.00 C ATOM 712 O GLY A 47 7.514 -5.990 12.337 1.00 0.00 O ATOM 0 H GLY A 47 4.610 -8.229 10.322 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.564 -8.356 12.467 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.838 -8.324 10.736 1.00 0.00 H new ATOM 716 N ASP A 48 5.863 -5.557 10.876 1.00 0.00 N ATOM 717 CA ASP A 48 6.030 -4.118 10.954 1.00 0.00 C ATOM 718 C ASP A 48 5.198 -3.568 12.123 1.00 0.00 C ATOM 719 O ASP A 48 4.034 -3.917 12.289 1.00 0.00 O ATOM 720 CB ASP A 48 5.674 -3.458 9.619 1.00 0.00 C ATOM 721 CG ASP A 48 6.384 -2.095 9.497 1.00 0.00 C ATOM 722 OD1 ASP A 48 6.639 -1.463 10.558 1.00 0.00 O ATOM 723 OD2 ASP A 48 6.708 -1.689 8.364 1.00 0.00 O ATOM 0 H ASP A 48 5.151 -5.864 10.213 1.00 0.00 H new ATOM 0 HA ASP A 48 7.076 -3.879 11.148 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.969 -4.106 8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.595 -3.323 9.548 1.00 0.00 H new ATOM 728 N HIS A 49 5.784 -2.664 12.916 1.00 0.00 N ATOM 729 CA HIS A 49 5.144 -1.964 14.048 1.00 0.00 C ATOM 730 C HIS A 49 3.727 -1.454 13.775 1.00 0.00 C ATOM 731 O HIS A 49 2.964 -1.242 14.717 1.00 0.00 O ATOM 732 CB HIS A 49 5.954 -0.715 14.421 1.00 0.00 C ATOM 733 CG HIS A 49 7.232 -0.991 15.147 1.00 0.00 C ATOM 734 ND1 HIS A 49 8.494 -0.829 14.616 1.00 0.00 N ATOM 735 CD2 HIS A 49 7.338 -1.409 16.444 1.00 0.00 C ATOM 736 CE1 HIS A 49 9.372 -1.151 15.590 1.00 0.00 C ATOM 737 NE2 HIS A 49 8.693 -1.506 16.708 1.00 0.00 N ATOM 0 H HIS A 49 6.756 -2.385 12.786 1.00 0.00 H new ATOM 0 HA HIS A 49 5.104 -2.718 14.834 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.182 -0.161 13.510 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.333 -0.068 15.040 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.527 -1.621 17.126 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.447 -1.129 15.493 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.110 -1.795 17.593 1.00 0.00 H new ATOM 746 N ILE A 50 3.457 -1.065 12.528 1.00 0.00 N ATOM 747 CA ILE A 50 2.135 -0.701 12.010 1.00 0.00 C ATOM 748 C ILE A 50 1.029 -1.576 12.611 1.00 0.00 C ATOM 749 O ILE A 50 1.018 -2.791 12.491 1.00 0.00 O ATOM 750 CB ILE A 50 2.031 -0.821 10.475 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.353 -0.605 9.741 1.00 0.00 C ATOM 752 CG2 ILE A 50 0.996 0.197 9.973 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.254 -0.713 8.212 1.00 0.00 C ATOM 0 H ILE A 50 4.186 -0.991 11.819 1.00 0.00 H new ATOM 0 HA ILE A 50 2.004 0.342 12.300 1.00 0.00 H new ATOM 0 HB ILE A 50 1.730 -1.846 10.257 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.741 0.380 9.999 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.077 -1.337 10.099 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.911 0.125 8.889 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.028 -0.014 10.428 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.314 1.203 10.246 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.237 -0.546 7.771 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.898 -1.707 7.940 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.557 0.037 7.839 1.00 0.00 H new ATOM 765 N ARG A 51 0.045 -0.907 13.203 1.00 0.00 N ATOM 766 CA ARG A 51 -1.079 -1.533 13.919 1.00 0.00 C ATOM 767 C ARG A 51 -2.423 -1.291 13.253 1.00 0.00 C ATOM 768 O ARG A 51 -3.364 -2.056 13.407 1.00 0.00 O ATOM 769 CB ARG A 51 -1.117 -1.053 15.377 1.00 0.00 C ATOM 770 CG ARG A 51 -1.223 0.473 15.537 1.00 0.00 C ATOM 771 CD ARG A 51 0.160 1.105 15.661 1.00 0.00 C ATOM 772 NE ARG A 51 0.112 2.559 15.415 1.00 0.00 N ATOM 773 CZ ARG A 51 0.987 3.428 15.878 1.00 0.00 C ATOM 774 NH1 ARG A 51 1.993 3.043 16.606 1.00 0.00 N ATOM 775 NH2 ARG A 51 0.870 4.699 15.616 1.00 0.00 N ATOM 0 H ARG A 51 -0.001 0.112 13.202 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.904 -2.608 13.889 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.965 -1.519 15.879 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.217 -1.398 15.885 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.745 0.897 14.679 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.816 0.710 16.420 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.560 0.916 16.657 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.841 0.637 14.950 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.654 2.917 14.845 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.114 2.055 16.827 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.661 3.729 16.956 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.093 5.033 15.046 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.555 5.360 15.981 1.00 0.00 H new ATOM 789 N TRP A 52 -2.508 -0.169 12.528 1.00 0.00 N ATOM 790 CA TRP A 52 -3.700 0.277 11.805 1.00 0.00 C ATOM 791 C TRP A 52 -4.849 0.677 12.730 1.00 0.00 C ATOM 792 O TRP A 52 -5.974 0.806 12.275 1.00 0.00 O ATOM 793 CB TRP A 52 -4.090 -0.796 10.782 1.00 0.00 C ATOM 794 CG TRP A 52 -2.960 -1.181 9.893 1.00 0.00 C ATOM 795 CD1 TRP A 52 -1.985 -2.094 10.126 1.00 0.00 C ATOM 796 CD2 TRP A 52 -2.659 -0.574 8.620 1.00 0.00 C ATOM 797 NE1 TRP A 52 -1.120 -2.103 9.054 1.00 0.00 N ATOM 798 CE2 TRP A 52 -1.498 -1.198 8.097 1.00 0.00 C ATOM 799 CE3 TRP A 52 -3.234 0.480 7.890 1.00 0.00 C ATOM 800 CZ2 TRP A 52 -0.952 -0.826 6.876 1.00 0.00 C ATOM 801 CZ3 TRP A 52 -2.687 0.875 6.668 1.00 0.00 C ATOM 802 CH2 TRP A 52 -1.610 0.162 6.136 1.00 0.00 C ATOM 0 H TRP A 52 -1.722 0.473 12.427 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.462 1.197 11.270 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.450 -1.680 11.308 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.916 -0.429 10.174 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.900 -2.713 11.007 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.301 -2.707 8.982 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.105 0.988 8.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.046 -1.286 6.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.093 1.724 6.139 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.278 0.378 5.131 1.00 0.00 H new ATOM 813 N GLY A 53 -4.565 0.900 14.022 1.00 0.00 N ATOM 814 CA GLY A 53 -5.573 1.088 15.065 1.00 0.00 C ATOM 815 C GLY A 53 -6.696 0.048 15.026 1.00 0.00 C ATOM 816 O GLY A 53 -7.826 0.385 15.357 1.00 0.00 O ATOM 0 H GLY A 53 -3.609 0.955 14.373 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.087 1.049 16.040 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.007 2.083 14.964 1.00 0.00 H new ATOM 820 N VAL A 54 -6.403 -1.183 14.588 1.00 0.00 N ATOM 821 CA VAL A 54 -7.403 -2.243 14.401 1.00 0.00 C ATOM 822 C VAL A 54 -6.938 -3.493 15.126 1.00 0.00 C ATOM 823 O VAL A 54 -5.793 -3.892 14.988 1.00 0.00 O ATOM 824 CB VAL A 54 -7.595 -2.552 12.901 1.00 0.00 C ATOM 825 CG1 VAL A 54 -8.446 -3.807 12.653 1.00 0.00 C ATOM 826 CG2 VAL A 54 -8.282 -1.424 12.131 1.00 0.00 C ATOM 0 H VAL A 54 -5.455 -1.475 14.351 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.358 -1.909 14.807 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.575 -2.693 12.545 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.546 -3.973 11.580 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.963 -4.670 13.110 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.434 -3.669 13.092 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.385 -1.708 11.084 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.269 -1.242 12.556 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.683 -0.516 12.203 1.00 0.00 H new ATOM 836 N ASN A 55 -7.863 -4.218 15.751 1.00 0.00 N ATOM 837 CA ASN A 55 -7.570 -5.477 16.436 1.00 0.00 C ATOM 838 C ASN A 55 -7.139 -6.602 15.474 1.00 0.00 C ATOM 839 O ASN A 55 -6.205 -7.345 15.735 1.00 0.00 O ATOM 840 CB ASN A 55 -8.832 -5.881 17.208 1.00 0.00 C ATOM 841 CG ASN A 55 -8.589 -7.130 18.030 1.00 0.00 C ATOM 842 OD1 ASN A 55 -8.266 -7.094 19.198 1.00 0.00 O ATOM 843 ND2 ASN A 55 -8.754 -8.296 17.450 1.00 0.00 N ATOM 0 H ASN A 55 -8.845 -3.947 15.797 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.724 -5.326 17.106 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.139 -5.065 17.862 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.650 -6.055 16.509 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.611 -9.155 17.981 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.026 -8.343 16.468 1.00 0.00 H new ATOM 850 N ASN A 56 -7.880 -6.782 14.374 1.00 0.00 N ATOM 851 CA ASN A 56 -7.585 -7.772 13.336 1.00 0.00 C ATOM 852 C ASN A 56 -6.238 -7.541 12.646 1.00 0.00 C ATOM 853 O ASN A 56 -5.536 -8.506 12.364 1.00 0.00 O ATOM 854 CB ASN A 56 -8.684 -7.775 12.268 1.00 0.00 C ATOM 855 CG ASN A 56 -9.913 -8.544 12.696 1.00 0.00 C ATOM 856 OD1 ASN A 56 -10.278 -8.613 13.856 1.00 0.00 O ATOM 857 ND2 ASN A 56 -10.578 -9.171 11.758 1.00 0.00 N ATOM 0 H ASN A 56 -8.717 -6.232 14.179 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.540 -8.734 13.847 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.965 -6.747 12.039 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.290 -8.210 11.349 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.404 -9.719 11.998 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.270 -9.111 10.788 1.00 0.00 H new ATOM 864 N CYS A 57 -5.930 -6.289 12.299 1.00 0.00 N ATOM 865 CA CYS A 57 -4.641 -5.937 11.722 1.00 0.00 C ATOM 866 C CYS A 57 -3.502 -6.048 12.749 1.00 0.00 C ATOM 867 O CYS A 57 -2.484 -6.650 12.434 1.00 0.00 O ATOM 868 CB CYS A 57 -4.725 -4.527 11.146 1.00 0.00 C ATOM 869 SG CYS A 57 -6.001 -4.296 9.876 1.00 0.00 S ATOM 0 H CYS A 57 -6.566 -5.499 12.411 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.409 -6.644 10.926 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.913 -3.828 11.961 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.757 -4.266 10.719 1.00 0.00 H new ATOM 874 N ASP A 58 -3.702 -5.561 13.980 1.00 0.00 N ATOM 875 CA ASP A 58 -2.740 -5.641 15.099 1.00 0.00 C ATOM 876 C ASP A 58 -2.792 -6.998 15.836 1.00 0.00 C ATOM 877 O ASP A 58 -2.674 -7.105 17.058 1.00 0.00 O ATOM 878 CB ASP A 58 -2.992 -4.473 16.070 1.00 0.00 C ATOM 879 CG ASP A 58 -1.764 -4.078 16.897 1.00 0.00 C ATOM 880 OD1 ASP A 58 -0.637 -4.237 16.381 1.00 0.00 O ATOM 881 OD2 ASP A 58 -1.958 -3.438 17.956 1.00 0.00 O ATOM 0 H ASP A 58 -4.565 -5.083 14.239 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.735 -5.563 14.684 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.329 -3.606 15.501 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.802 -4.744 16.747 1.00 0.00 H new ATOM 886 N LYS A 59 -3.076 -8.070 15.090 1.00 0.00 N ATOM 887 CA LYS A 59 -3.045 -9.441 15.603 1.00 0.00 C ATOM 888 C LYS A 59 -1.612 -9.950 15.803 1.00 0.00 C ATOM 889 O LYS A 59 -0.626 -9.316 15.453 1.00 0.00 O ATOM 890 CB LYS A 59 -3.855 -10.348 14.675 1.00 0.00 C ATOM 891 CG LYS A 59 -5.345 -10.416 15.037 1.00 0.00 C ATOM 892 CD LYS A 59 -5.994 -11.730 14.569 1.00 0.00 C ATOM 893 CE LYS A 59 -5.871 -12.790 15.669 1.00 0.00 C ATOM 894 NZ LYS A 59 -7.003 -12.696 16.624 1.00 0.00 N ATOM 0 H LYS A 59 -3.336 -8.009 14.106 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.504 -9.455 16.592 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.754 -9.990 13.650 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.435 -11.354 14.705 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.460 -10.319 16.117 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.867 -9.573 14.584 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.044 -11.562 14.329 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.510 -12.081 13.657 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.849 -13.784 15.221 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.929 -12.660 16.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.898 -13.424 17.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.007 -11.755 17.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.899 -12.844 16.116 1.00 0.00 H new ATOM 908 N ALA A 60 -1.504 -11.175 16.310 1.00 0.00 N ATOM 909 CA ALA A 60 -0.251 -11.861 16.518 1.00 0.00 C ATOM 910 C ALA A 60 0.158 -12.533 15.209 1.00 0.00 C ATOM 911 O ALA A 60 -0.117 -13.716 15.024 1.00 0.00 O ATOM 912 CB ALA A 60 -0.465 -12.895 17.620 1.00 0.00 C ATOM 0 H ALA A 60 -2.315 -11.726 16.593 1.00 0.00 H new ATOM 0 HA ALA A 60 0.541 -11.174 16.817 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.466 -13.432 17.801 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.778 -12.392 18.535 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.236 -13.601 17.312 1.00 0.00 H new ATOM 918 N ASP A 61 0.710 -11.756 14.282 1.00 0.00 N ATOM 919 CA ASP A 61 1.192 -12.282 12.990 1.00 0.00 C ATOM 920 C ASP A 61 0.041 -12.845 12.137 1.00 0.00 C ATOM 921 O ASP A 61 0.107 -13.909 11.527 1.00 0.00 O ATOM 922 CB ASP A 61 2.325 -13.290 13.239 1.00 0.00 C ATOM 923 CG ASP A 61 3.033 -13.709 11.949 1.00 0.00 C ATOM 924 OD1 ASP A 61 3.158 -12.818 11.082 1.00 0.00 O ATOM 925 OD2 ASP A 61 3.471 -14.877 11.845 1.00 0.00 O ATOM 0 H ASP A 61 0.839 -10.751 14.395 1.00 0.00 H new ATOM 0 HA ASP A 61 1.605 -11.466 12.397 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.052 -12.852 13.923 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.918 -14.174 13.730 1.00 0.00 H new ATOM 930 N ALA A 62 -1.095 -12.142 12.141 1.00 0.00 N ATOM 931 CA ALA A 62 -2.203 -12.510 11.267 1.00 0.00 C ATOM 932 C ALA A 62 -1.821 -12.570 9.777 1.00 0.00 C ATOM 933 O ALA A 62 -0.787 -12.092 9.315 1.00 0.00 O ATOM 934 CB ALA A 62 -3.374 -11.554 11.472 1.00 0.00 C ATOM 0 H ALA A 62 -1.267 -11.328 12.731 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.493 -13.522 11.549 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.195 -11.838 10.814 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.706 -11.603 12.509 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.058 -10.537 11.239 1.00 0.00 H new ATOM 940 N ILE A 63 -2.756 -13.092 8.990 1.00 0.00 N ATOM 941 CA ILE A 63 -2.571 -13.273 7.564 1.00 0.00 C ATOM 942 C ILE A 63 -3.093 -12.015 6.889 1.00 0.00 C ATOM 943 O ILE A 63 -4.292 -11.887 6.650 1.00 0.00 O ATOM 944 CB ILE A 63 -3.254 -14.564 7.080 1.00 0.00 C ATOM 945 CG1 ILE A 63 -2.759 -15.793 7.878 1.00 0.00 C ATOM 946 CG2 ILE A 63 -2.957 -14.738 5.578 1.00 0.00 C ATOM 947 CD1 ILE A 63 -3.754 -16.957 7.814 1.00 0.00 C ATOM 0 H ILE A 63 -3.666 -13.401 9.330 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.520 -13.403 7.305 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.329 -14.487 7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.796 -16.117 7.484 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.599 -15.510 8.918 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.433 -15.649 5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.347 -13.881 5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.880 -14.807 5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.366 -17.799 8.388 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.710 -16.642 8.232 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.894 -17.259 6.776 1.00 0.00 H new ATOM 959 N LEU A 64 -2.213 -11.057 6.639 1.00 0.00 N ATOM 960 CA LEU A 64 -2.514 -9.872 5.848 1.00 0.00 C ATOM 961 C LEU A 64 -1.882 -10.000 4.453 1.00 0.00 C ATOM 962 O LEU A 64 -1.221 -10.981 4.102 1.00 0.00 O ATOM 963 CB LEU A 64 -2.063 -8.616 6.622 1.00 0.00 C ATOM 964 CG LEU A 64 -3.043 -8.086 7.681 1.00 0.00 C ATOM 965 CD1 LEU A 64 -3.071 -8.934 8.954 1.00 0.00 C ATOM 966 CD2 LEU A 64 -2.675 -6.656 8.059 1.00 0.00 C ATOM 0 H LEU A 64 -1.254 -11.081 6.985 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.587 -9.774 5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.115 -8.837 7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.872 -7.820 5.902 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.034 -8.131 7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.782 -8.506 9.661 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.373 -9.952 8.707 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.078 -8.949 9.403 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.374 -6.287 8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.663 -6.636 8.464 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.725 -6.021 7.174 1.00 0.00 H new ATOM 978 N TRP A 65 -2.105 -8.991 3.627 1.00 0.00 N ATOM 979 CA TRP A 65 -1.563 -8.851 2.289 1.00 0.00 C ATOM 980 C TRP A 65 -1.276 -7.398 1.968 1.00 0.00 C ATOM 981 O TRP A 65 -1.800 -6.514 2.633 1.00 0.00 O ATOM 982 CB TRP A 65 -2.589 -9.398 1.320 1.00 0.00 C ATOM 983 CG TRP A 65 -2.658 -10.879 1.278 1.00 0.00 C ATOM 984 CD1 TRP A 65 -3.380 -11.669 2.097 1.00 0.00 C ATOM 985 CD2 TRP A 65 -1.942 -11.764 0.387 1.00 0.00 C ATOM 986 NE1 TRP A 65 -3.195 -12.990 1.733 1.00 0.00 N ATOM 987 CE2 TRP A 65 -2.310 -13.104 0.680 1.00 0.00 C ATOM 988 CE3 TRP A 65 -1.013 -11.553 -0.642 1.00 0.00 C ATOM 989 CZ2 TRP A 65 -1.773 -14.186 -0.035 1.00 0.00 C ATOM 990 CZ3 TRP A 65 -0.443 -12.625 -1.343 1.00 0.00 C ATOM 991 CH2 TRP A 65 -0.826 -13.944 -1.047 1.00 0.00 C ATOM 0 H TRP A 65 -2.702 -8.206 3.888 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.623 -9.397 2.212 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.570 -9.007 1.589 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.362 -9.028 0.320 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.004 -11.325 2.909 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.654 -13.780 2.185 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.731 -10.543 -0.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.084 -15.196 0.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.292 -12.437 -2.112 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.395 -14.769 -1.594 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.478 -7.171 0.929 1.00 0.00 N ATOM 1003 CA GLU A 66 -0.065 -5.853 0.466 1.00 0.00 C ATOM 1004 C GLU A 66 0.008 -5.776 -1.065 1.00 0.00 C ATOM 1005 O GLU A 66 0.554 -6.672 -1.730 1.00 0.00 O ATOM 1006 CB GLU A 66 1.270 -5.429 1.095 1.00 0.00 C ATOM 1007 CG GLU A 66 2.372 -6.475 0.916 1.00 0.00 C ATOM 1008 CD GLU A 66 3.786 -5.907 1.070 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.121 -4.921 0.356 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.573 -6.552 1.785 1.00 0.00 O ATOM 0 H GLU A 66 -0.088 -7.928 0.367 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.833 -5.152 0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.593 -4.488 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.122 -5.243 2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.228 -7.271 1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.276 -6.927 -0.071 1.00 0.00 H new ATOM 1017 N TYR A 67 -0.469 -4.668 -1.632 1.00 0.00 N ATOM 1018 CA TYR A 67 -0.467 -4.474 -3.080 1.00 0.00 C ATOM 1019 C TYR A 67 -0.227 -3.011 -3.490 1.00 0.00 C ATOM 1020 O TYR A 67 -0.729 -2.088 -2.849 1.00 0.00 O ATOM 1021 CB TYR A 67 -1.766 -5.018 -3.674 1.00 0.00 C ATOM 1022 CG TYR A 67 -1.713 -5.163 -5.172 1.00 0.00 C ATOM 1023 CD1 TYR A 67 -1.206 -6.325 -5.761 1.00 0.00 C ATOM 1024 CD2 TYR A 67 -2.124 -4.113 -5.990 1.00 0.00 C ATOM 1025 CE1 TYR A 67 -1.173 -6.480 -7.156 1.00 0.00 C ATOM 1026 CE2 TYR A 67 -2.074 -4.241 -7.390 1.00 0.00 C ATOM 1027 CZ TYR A 67 -1.609 -5.432 -7.979 1.00 0.00 C ATOM 1028 OH TYR A 67 -1.633 -5.582 -9.323 1.00 0.00 O ATOM 0 H TYR A 67 -0.863 -3.888 -1.106 1.00 0.00 H new ATOM 0 HA TYR A 67 0.375 -5.034 -3.487 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.984 -5.988 -3.228 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.587 -4.353 -3.408 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.833 -7.119 -5.131 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.483 -3.196 -5.547 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.814 -7.400 -7.592 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.394 -3.421 -8.016 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.843 -6.085 -9.610 1.00 0.00 H new ATOM 1038 N PRO A 68 0.596 -2.751 -4.513 1.00 0.00 N ATOM 1039 CA PRO A 68 0.894 -1.402 -4.986 1.00 0.00 C ATOM 1040 C PRO A 68 -0.291 -0.750 -5.701 1.00 0.00 C ATOM 1041 O PRO A 68 -1.122 -1.388 -6.342 1.00 0.00 O ATOM 1042 CB PRO A 68 2.059 -1.564 -5.955 1.00 0.00 C ATOM 1043 CG PRO A 68 1.865 -2.987 -6.468 1.00 0.00 C ATOM 1044 CD PRO A 68 1.316 -3.737 -5.287 1.00 0.00 C ATOM 0 HA PRO A 68 1.125 -0.750 -4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.020 -0.833 -6.762 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.021 -1.439 -5.458 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.176 -3.015 -7.312 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.806 -3.418 -6.810 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.658 -4.545 -5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.116 -4.190 -4.701 1.00 0.00 H new ATOM 1052 N ILE A 69 -0.347 0.576 -5.633 1.00 0.00 N ATOM 1053 CA ILE A 69 -1.462 1.359 -6.170 1.00 0.00 C ATOM 1054 C ILE A 69 -0.955 2.638 -6.821 1.00 0.00 C ATOM 1055 O ILE A 69 0.206 3.038 -6.686 1.00 0.00 O ATOM 1056 CB ILE A 69 -2.533 1.657 -5.081 1.00 0.00 C ATOM 1057 CG1 ILE A 69 -2.198 2.842 -4.173 1.00 0.00 C ATOM 1058 CG2 ILE A 69 -2.893 0.438 -4.199 1.00 0.00 C ATOM 1059 CD1 ILE A 69 -0.821 2.703 -3.562 1.00 0.00 C ATOM 0 H ILE A 69 0.382 1.144 -5.202 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.951 0.761 -6.939 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.404 1.922 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.250 3.767 -4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.943 2.916 -3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.645 0.729 -3.466 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.288 -0.361 -4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.000 0.086 -3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.618 3.563 -2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.777 1.791 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.074 2.655 -4.355 1.00 0.00 H new ATOM 1071 N TYR A 70 -1.857 3.345 -7.479 1.00 0.00 N ATOM 1072 CA TYR A 70 -1.548 4.597 -8.139 1.00 0.00 C ATOM 1073 C TYR A 70 -2.427 5.685 -7.545 1.00 0.00 C ATOM 1074 O TYR A 70 -3.635 5.658 -7.682 1.00 0.00 O ATOM 1075 CB TYR A 70 -1.701 4.421 -9.656 1.00 0.00 C ATOM 1076 CG TYR A 70 -0.673 3.495 -10.303 1.00 0.00 C ATOM 1077 CD1 TYR A 70 -0.725 2.124 -10.025 1.00 0.00 C ATOM 1078 CD2 TYR A 70 0.299 3.962 -11.218 1.00 0.00 C ATOM 1079 CE1 TYR A 70 0.234 1.269 -10.577 1.00 0.00 C ATOM 1080 CE2 TYR A 70 1.262 3.101 -11.768 1.00 0.00 C ATOM 1081 CZ TYR A 70 1.223 1.737 -11.450 1.00 0.00 C ATOM 1082 OH TYR A 70 2.134 0.882 -11.969 1.00 0.00 O ATOM 0 H TYR A 70 -2.833 3.062 -7.570 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.515 4.902 -7.974 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.699 4.034 -9.863 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.635 5.401 -10.129 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.502 1.729 -9.387 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.301 5.005 -11.500 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.211 0.220 -10.323 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.024 3.486 -12.429 1.00 0.00 H new ATOM 0 HH TYR A 70 2.444 0.270 -11.269 1.00 0.00 H new ATOM 1092 N TRP A 71 -1.827 6.620 -6.807 1.00 0.00 N ATOM 1093 CA TRP A 71 -2.534 7.806 -6.311 1.00 0.00 C ATOM 1094 C TRP A 71 -3.221 8.592 -7.435 1.00 0.00 C ATOM 1095 O TRP A 71 -2.963 8.377 -8.612 1.00 0.00 O ATOM 1096 CB TRP A 71 -1.537 8.722 -5.595 1.00 0.00 C ATOM 1097 CG TRP A 71 -0.235 8.921 -6.298 1.00 0.00 C ATOM 1098 CD1 TRP A 71 0.051 9.807 -7.275 1.00 0.00 C ATOM 1099 CD2 TRP A 71 0.977 8.166 -6.084 1.00 0.00 C ATOM 1100 NE1 TRP A 71 1.367 9.658 -7.673 1.00 0.00 N ATOM 1101 CE2 TRP A 71 1.996 8.676 -6.939 1.00 0.00 C ATOM 1102 CE3 TRP A 71 1.290 7.082 -5.251 1.00 0.00 C ATOM 1103 CZ2 TRP A 71 3.279 8.116 -6.962 1.00 0.00 C ATOM 1104 CZ3 TRP A 71 2.592 6.573 -5.212 1.00 0.00 C ATOM 1105 CH2 TRP A 71 3.581 7.079 -6.075 1.00 0.00 C ATOM 0 H TRP A 71 -0.844 6.579 -6.537 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.311 7.464 -5.627 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -2.004 9.696 -5.448 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.338 8.311 -4.605 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.644 10.525 -7.685 1.00 0.00 H new ATOM 0 HE1 TRP A 71 1.813 10.202 -8.411 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.521 6.638 -4.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.024 8.480 -7.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.840 5.786 -4.515 1.00 0.00 H new ATOM 0 HH2 TRP A 71 4.578 6.664 -6.052 1.00 0.00 H new ATOM 1116 N VAL A 72 -3.964 9.635 -7.052 1.00 0.00 N ATOM 1117 CA VAL A 72 -4.704 10.471 -8.015 1.00 0.00 C ATOM 1118 C VAL A 72 -3.828 11.106 -9.101 1.00 0.00 C ATOM 1119 O VAL A 72 -4.256 11.300 -10.226 1.00 0.00 O ATOM 1120 CB VAL A 72 -5.465 11.572 -7.272 1.00 0.00 C ATOM 1121 CG1 VAL A 72 -4.523 12.604 -6.624 1.00 0.00 C ATOM 1122 CG2 VAL A 72 -6.446 12.279 -8.209 1.00 0.00 C ATOM 0 H VAL A 72 -4.072 9.925 -6.080 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.390 9.796 -8.527 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.018 11.083 -6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.113 13.363 -6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.872 12.103 -5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.916 13.077 -7.396 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.976 13.058 -7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.898 12.728 -9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.163 11.556 -8.597 1.00 0.00 H new ATOM 1132 N GLY A 73 -2.601 11.481 -8.728 1.00 0.00 N ATOM 1133 CA GLY A 73 -1.631 12.106 -9.624 1.00 0.00 C ATOM 1134 C GLY A 73 -1.176 11.187 -10.756 1.00 0.00 C ATOM 1135 O GLY A 73 -0.984 11.643 -11.876 1.00 0.00 O ATOM 0 H GLY A 73 -2.251 11.356 -7.778 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.070 13.008 -10.051 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.761 12.418 -9.046 1.00 0.00 H new ATOM 1139 N LYS A 74 -0.947 9.904 -10.447 1.00 0.00 N ATOM 1140 CA LYS A 74 -0.639 8.881 -11.445 1.00 0.00 C ATOM 1141 C LYS A 74 -1.815 8.678 -12.415 1.00 0.00 C ATOM 1142 O LYS A 74 -2.954 9.010 -12.123 1.00 0.00 O ATOM 1143 CB LYS A 74 -0.309 7.576 -10.717 1.00 0.00 C ATOM 1144 CG LYS A 74 1.185 7.395 -10.409 1.00 0.00 C ATOM 1145 CD LYS A 74 1.416 6.389 -9.270 1.00 0.00 C ATOM 1146 CE LYS A 74 2.864 5.907 -9.192 1.00 0.00 C ATOM 1147 NZ LYS A 74 3.071 4.731 -10.061 1.00 0.00 N ATOM 0 H LYS A 74 -0.971 9.548 -9.491 1.00 0.00 H new ATOM 0 HA LYS A 74 0.217 9.202 -12.039 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.869 7.541 -9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.649 6.737 -11.324 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.702 7.054 -11.306 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.619 8.357 -10.138 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.140 6.850 -8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.759 5.531 -9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.536 6.710 -9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.113 5.652 -8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.688 4.047 -9.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.154 4.285 -10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.517 5.031 -10.951 1.00 0.00 H new ATOM 1161 N ASN A 75 -1.528 8.058 -13.559 1.00 0.00 N ATOM 1162 CA ASN A 75 -2.507 7.786 -14.621 1.00 0.00 C ATOM 1163 C ASN A 75 -2.368 6.344 -15.146 1.00 0.00 C ATOM 1164 O ASN A 75 -2.404 6.088 -16.345 1.00 0.00 O ATOM 1165 CB ASN A 75 -2.329 8.851 -15.721 1.00 0.00 C ATOM 1166 CG ASN A 75 -3.613 9.085 -16.508 1.00 0.00 C ATOM 1167 OD1 ASN A 75 -4.235 8.201 -17.060 1.00 0.00 O ATOM 1168 ND2 ASN A 75 -4.080 10.306 -16.569 1.00 0.00 N ATOM 0 H ASN A 75 -0.591 7.722 -13.782 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.524 7.856 -14.234 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.006 9.788 -15.268 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.539 8.538 -16.403 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.947 10.496 -17.072 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.577 11.068 -16.114 1.00 0.00 H new ATOM 1175 N ALA A 76 -2.065 5.400 -14.255 1.00 0.00 N ATOM 1176 CA ALA A 76 -1.948 3.994 -14.624 1.00 0.00 C ATOM 1177 C ALA A 76 -2.397 3.091 -13.475 1.00 0.00 C ATOM 1178 O ALA A 76 -2.701 3.580 -12.390 1.00 0.00 O ATOM 1179 CB ALA A 76 -0.501 3.721 -15.061 1.00 0.00 C ATOM 0 H ALA A 76 -1.896 5.588 -13.267 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.608 3.767 -15.461 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.397 2.673 -15.340 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.254 4.351 -15.916 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.176 3.946 -14.237 1.00 0.00 H new ATOM 1185 N GLU A 77 -2.390 1.783 -13.705 1.00 0.00 N ATOM 1186 CA GLU A 77 -2.748 0.771 -12.714 1.00 0.00 C ATOM 1187 C GLU A 77 -1.736 -0.374 -12.750 1.00 0.00 C ATOM 1188 O GLU A 77 -1.170 -0.691 -13.798 1.00 0.00 O ATOM 1189 CB GLU A 77 -4.172 0.267 -12.999 1.00 0.00 C ATOM 1190 CG GLU A 77 -4.720 -0.603 -11.858 1.00 0.00 C ATOM 1191 CD GLU A 77 -6.019 -1.373 -12.208 1.00 0.00 C ATOM 1192 OE1 GLU A 77 -6.855 -0.825 -12.960 1.00 0.00 O ATOM 1193 OE2 GLU A 77 -6.170 -2.546 -11.778 1.00 0.00 O ATOM 0 H GLU A 77 -2.129 1.386 -14.607 1.00 0.00 H new ATOM 0 HA GLU A 77 -2.726 1.204 -11.714 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.833 1.120 -13.153 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.173 -0.308 -13.925 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.954 -1.321 -11.565 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.910 0.032 -10.992 1.00 0.00 H new ATOM 1200 N TRP A 78 -1.483 -0.977 -11.588 1.00 0.00 N ATOM 1201 CA TRP A 78 -0.540 -2.077 -11.456 1.00 0.00 C ATOM 1202 C TRP A 78 -1.099 -3.302 -12.169 1.00 0.00 C ATOM 1203 O TRP A 78 -2.238 -3.710 -11.943 1.00 0.00 O ATOM 1204 CB TRP A 78 -0.246 -2.390 -9.987 1.00 0.00 C ATOM 1205 CG TRP A 78 1.132 -2.922 -9.760 1.00 0.00 C ATOM 1206 CD1 TRP A 78 1.484 -4.226 -9.783 1.00 0.00 C ATOM 1207 CD2 TRP A 78 2.357 -2.190 -9.450 1.00 0.00 C ATOM 1208 NE1 TRP A 78 2.825 -4.358 -9.502 1.00 0.00 N ATOM 1209 CE2 TRP A 78 3.421 -3.129 -9.300 1.00 0.00 C ATOM 1210 CE3 TRP A 78 2.675 -0.833 -9.230 1.00 0.00 C ATOM 1211 CZ2 TRP A 78 4.724 -2.731 -8.969 1.00 0.00 C ATOM 1212 CZ3 TRP A 78 3.986 -0.419 -8.948 1.00 0.00 C ATOM 1213 CH2 TRP A 78 5.011 -1.363 -8.809 1.00 0.00 C ATOM 0 H TRP A 78 -1.931 -0.712 -10.711 1.00 0.00 H new ATOM 0 HA TRP A 78 0.405 -1.787 -11.916 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -0.380 -1.484 -9.396 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -0.973 -3.117 -9.625 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.812 -5.045 -9.991 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.316 -5.250 -9.450 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.889 -0.094 -9.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.502 -3.469 -8.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.205 0.633 -8.838 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.017 -1.043 -8.580 1.00 0.00 H new ATOM 1224 N ALA A 79 -0.299 -3.878 -13.060 1.00 0.00 N ATOM 1225 CA ALA A 79 -0.691 -5.091 -13.759 1.00 0.00 C ATOM 1226 C ALA A 79 -0.658 -6.320 -12.832 1.00 0.00 C ATOM 1227 O ALA A 79 -0.327 -6.241 -11.654 1.00 0.00 O ATOM 1228 CB ALA A 79 0.212 -5.297 -14.970 1.00 0.00 C ATOM 0 H ALA A 79 0.623 -3.523 -13.313 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.721 -4.976 -14.096 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.083 -6.207 -15.493 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.118 -4.445 -15.643 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.247 -5.387 -14.641 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.984 -7.489 -13.391 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.046 -8.750 -12.638 1.00 0.00 C ATOM 1236 C LYS A 80 0.242 -9.543 -12.793 1.00 0.00 C ATOM 1237 O LYS A 80 0.762 -10.083 -11.826 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.250 -9.588 -13.092 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.578 -9.138 -12.466 1.00 0.00 C ATOM 1240 CD LYS A 80 -4.107 -7.805 -13.020 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.515 -7.882 -14.496 1.00 0.00 C ATOM 1242 NZ LYS A 80 -5.685 -8.771 -14.664 1.00 0.00 N ATOM 0 H LYS A 80 -1.213 -7.590 -14.380 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.168 -8.507 -11.582 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.332 -9.534 -14.178 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.073 -10.633 -12.837 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.327 -9.912 -12.632 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.448 -9.046 -11.388 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.966 -7.489 -12.429 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.340 -7.040 -12.902 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.752 -6.885 -14.866 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.681 -8.253 -15.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.073 -8.657 -15.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.393 -9.759 -14.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.413 -8.523 -13.964 1.00 0.00 H new ATOM 1256 N ASP A 81 0.759 -9.643 -14.009 1.00 0.00 N ATOM 1257 CA ASP A 81 1.978 -10.376 -14.338 1.00 0.00 C ATOM 1258 C ASP A 81 3.162 -9.428 -14.596 1.00 0.00 C ATOM 1259 O ASP A 81 4.021 -9.686 -15.431 1.00 0.00 O ATOM 1260 CB ASP A 81 1.708 -11.361 -15.477 1.00 0.00 C ATOM 1261 CG ASP A 81 1.483 -10.645 -16.807 1.00 0.00 C ATOM 1262 OD1 ASP A 81 0.542 -9.810 -16.829 1.00 0.00 O ATOM 1263 OD2 ASP A 81 2.228 -10.949 -17.761 1.00 0.00 O ATOM 0 H ASP A 81 0.329 -9.202 -14.822 1.00 0.00 H new ATOM 0 HA ASP A 81 2.281 -10.971 -13.477 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.550 -12.046 -15.572 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.832 -11.963 -15.236 1.00 0.00 H new ATOM 1268 N VAL A 82 3.303 -8.365 -13.792 1.00 0.00 N ATOM 1269 CA VAL A 82 4.376 -7.376 -13.952 1.00 0.00 C ATOM 1270 C VAL A 82 4.975 -6.966 -12.608 1.00 0.00 C ATOM 1271 O VAL A 82 4.304 -6.410 -11.746 1.00 0.00 O ATOM 1272 CB VAL A 82 3.868 -6.151 -14.727 1.00 0.00 C ATOM 1273 CG1 VAL A 82 4.945 -5.071 -14.797 1.00 0.00 C ATOM 1274 CG2 VAL A 82 3.420 -6.536 -16.148 1.00 0.00 C ATOM 0 H VAL A 82 2.676 -8.167 -13.012 1.00 0.00 H new ATOM 0 HA VAL A 82 5.174 -7.843 -14.529 1.00 0.00 H new ATOM 0 HB VAL A 82 3.006 -5.757 -14.189 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.564 -4.213 -15.350 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.216 -4.761 -13.788 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.825 -5.467 -15.303 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.066 -5.648 -16.671 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.262 -6.965 -16.691 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.614 -7.268 -16.090 1.00 0.00 H new ATOM 1284 N LYS A 83 6.281 -7.210 -12.446 1.00 0.00 N ATOM 1285 CA LYS A 83 7.059 -6.784 -11.269 1.00 0.00 C ATOM 1286 C LYS A 83 7.330 -5.282 -11.297 1.00 0.00 C ATOM 1287 O LYS A 83 7.218 -4.664 -12.346 1.00 0.00 O ATOM 1288 CB LYS A 83 8.400 -7.527 -11.231 1.00 0.00 C ATOM 1289 CG LYS A 83 8.212 -9.034 -11.022 1.00 0.00 C ATOM 1290 CD LYS A 83 9.495 -9.802 -11.347 1.00 0.00 C ATOM 1291 CE LYS A 83 9.699 -9.878 -12.868 1.00 0.00 C ATOM 1292 NZ LYS A 83 10.958 -10.581 -13.216 1.00 0.00 N ATOM 0 H LYS A 83 6.837 -7.715 -13.136 1.00 0.00 H new ATOM 0 HA LYS A 83 6.472 -7.020 -10.381 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.938 -7.354 -12.163 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.016 -7.123 -10.428 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.921 -9.227 -9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.400 -9.393 -11.654 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.349 -9.310 -10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.441 -10.807 -10.930 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.855 -10.396 -13.323 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.717 -8.871 -13.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.063 -10.614 -14.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.765 -10.073 -12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.930 -11.550 -12.840 1.00 0.00 H new ATOM 1306 N THR A 84 7.859 -4.737 -10.200 1.00 0.00 N ATOM 1307 CA THR A 84 8.214 -3.313 -10.050 1.00 0.00 C ATOM 1308 C THR A 84 9.129 -2.791 -11.153 1.00 0.00 C ATOM 1309 O THR A 84 8.828 -1.762 -11.732 1.00 0.00 O ATOM 1310 CB THR A 84 8.905 -3.040 -8.709 1.00 0.00 C ATOM 1311 OG1 THR A 84 10.019 -3.892 -8.562 1.00 0.00 O ATOM 1312 CG2 THR A 84 7.998 -3.289 -7.511 1.00 0.00 C ATOM 0 H THR A 84 8.061 -5.285 -9.364 1.00 0.00 H new ATOM 0 HA THR A 84 7.260 -2.789 -10.109 1.00 0.00 H new ATOM 0 HB THR A 84 9.190 -1.988 -8.727 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.458 -3.712 -7.704 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.544 -3.079 -6.591 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.126 -2.637 -7.573 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.674 -4.330 -7.510 1.00 0.00 H new ATOM 1320 N SER A 85 10.234 -3.489 -11.434 1.00 0.00 N ATOM 1321 CA SER A 85 11.219 -3.096 -12.455 1.00 0.00 C ATOM 1322 C SER A 85 10.584 -2.905 -13.835 1.00 0.00 C ATOM 1323 O SER A 85 10.717 -1.859 -14.459 1.00 0.00 O ATOM 1324 CB SER A 85 12.326 -4.153 -12.540 1.00 0.00 C ATOM 1325 OG SER A 85 13.506 -3.543 -13.002 1.00 0.00 O ATOM 0 H SER A 85 10.476 -4.356 -10.953 1.00 0.00 H new ATOM 0 HA SER A 85 11.636 -2.136 -12.151 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.493 -4.603 -11.561 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.029 -4.956 -13.214 1.00 0.00 H new ATOM 0 HG SER A 85 14.220 -4.212 -13.058 1.00 0.00 H new ATOM 1331 N GLN A 86 9.877 -3.939 -14.307 1.00 0.00 N ATOM 1332 CA GLN A 86 9.115 -3.890 -15.553 1.00 0.00 C ATOM 1333 C GLN A 86 8.035 -2.801 -15.516 1.00 0.00 C ATOM 1334 O GLN A 86 7.859 -2.122 -16.524 1.00 0.00 O ATOM 1335 CB GLN A 86 8.499 -5.272 -15.824 1.00 0.00 C ATOM 1336 CG GLN A 86 7.556 -5.300 -17.048 1.00 0.00 C ATOM 1337 CD GLN A 86 8.340 -5.336 -18.351 1.00 0.00 C ATOM 1338 OE1 GLN A 86 8.460 -4.368 -19.082 1.00 0.00 O ATOM 1339 NE2 GLN A 86 8.948 -6.460 -18.660 1.00 0.00 N ATOM 0 H GLN A 86 9.820 -4.838 -13.829 1.00 0.00 H new ATOM 0 HA GLN A 86 9.793 -3.631 -16.367 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.301 -5.994 -15.977 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.945 -5.593 -14.942 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.906 -6.173 -16.988 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.912 -4.421 -17.033 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.853 -7.275 -18.054 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.515 -6.517 -19.506 1.00 0.00 H new ATOM 1348 N GLN A 87 7.313 -2.677 -14.393 1.00 0.00 N ATOM 1349 CA GLN A 87 6.203 -1.753 -14.176 1.00 0.00 C ATOM 1350 C GLN A 87 6.447 -0.388 -14.814 1.00 0.00 C ATOM 1351 O GLN A 87 7.206 0.441 -14.312 1.00 0.00 O ATOM 1352 CB GLN A 87 5.881 -1.603 -12.676 1.00 0.00 C ATOM 1353 CG GLN A 87 4.437 -1.182 -12.418 1.00 0.00 C ATOM 1354 CD GLN A 87 3.410 -2.106 -13.059 1.00 0.00 C ATOM 1355 OE1 GLN A 87 2.939 -1.843 -14.151 1.00 0.00 O ATOM 1356 NE2 GLN A 87 3.099 -3.234 -12.460 1.00 0.00 N ATOM 0 H GLN A 87 7.502 -3.251 -13.571 1.00 0.00 H new ATOM 0 HA GLN A 87 5.336 -2.191 -14.672 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.074 -2.550 -12.172 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.553 -0.866 -12.237 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.263 -1.150 -11.342 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.289 -0.170 -12.795 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.495 -3.452 -11.546 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.462 -3.891 -12.910 1.00 0.00 H new ATOM 1365 N LYS A 88 5.789 -0.156 -15.951 1.00 0.00 N ATOM 1366 CA LYS A 88 6.021 1.054 -16.741 1.00 0.00 C ATOM 1367 C LYS A 88 5.382 2.265 -16.093 1.00 0.00 C ATOM 1368 O LYS A 88 5.994 3.323 -16.046 1.00 0.00 O ATOM 1369 CB LYS A 88 5.485 0.883 -18.163 1.00 0.00 C ATOM 1370 CG LYS A 88 6.268 -0.159 -18.972 1.00 0.00 C ATOM 1371 CD LYS A 88 7.659 0.362 -19.354 1.00 0.00 C ATOM 1372 CE LYS A 88 8.367 -0.672 -20.229 1.00 0.00 C ATOM 1373 NZ LYS A 88 9.766 -0.263 -20.496 1.00 0.00 N ATOM 0 H LYS A 88 5.093 -0.789 -16.345 1.00 0.00 H new ATOM 0 HA LYS A 88 7.098 1.215 -16.785 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.436 0.589 -18.118 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.525 1.842 -18.679 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.368 -1.075 -18.389 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.713 -0.414 -19.874 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.571 1.308 -19.889 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.245 0.557 -18.456 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.355 -1.643 -19.735 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.831 -0.787 -21.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.229 -0.979 -21.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.772 0.653 -20.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.280 -0.176 -19.596 1.00 0.00 H new ATOM 1387 N GLY A 89 4.163 2.085 -15.576 1.00 0.00 N ATOM 1388 CA GLY A 89 3.367 3.126 -14.924 1.00 0.00 C ATOM 1389 C GLY A 89 4.154 3.984 -13.925 1.00 0.00 C ATOM 1390 O GLY A 89 3.942 5.188 -13.822 1.00 0.00 O ATOM 0 H GLY A 89 3.689 1.182 -15.601 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.942 3.776 -15.689 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.531 2.657 -14.404 1.00 0.00 H new ATOM 1394 N GLY A 90 5.008 3.337 -13.131 1.00 0.00 N ATOM 1395 CA GLY A 90 5.991 3.982 -12.275 1.00 0.00 C ATOM 1396 C GLY A 90 6.007 3.397 -10.864 1.00 0.00 C ATOM 1397 O GLY A 90 5.025 2.769 -10.442 1.00 0.00 O ATOM 0 H GLY A 90 5.031 2.319 -13.068 1.00 0.00 H new ATOM 0 HA2 GLY A 90 6.981 3.878 -12.720 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.777 5.049 -12.221 1.00 0.00 H new ATOM 1401 N PRO A 91 7.054 3.690 -10.081 1.00 0.00 N ATOM 1402 CA PRO A 91 7.173 3.243 -8.704 1.00 0.00 C ATOM 1403 C PRO A 91 6.109 3.883 -7.812 1.00 0.00 C ATOM 1404 O PRO A 91 5.569 4.954 -8.087 1.00 0.00 O ATOM 1405 CB PRO A 91 8.597 3.616 -8.279 1.00 0.00 C ATOM 1406 CG PRO A 91 8.949 4.808 -9.172 1.00 0.00 C ATOM 1407 CD PRO A 91 8.182 4.527 -10.461 1.00 0.00 C ATOM 0 HA PRO A 91 7.005 2.170 -8.608 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.642 3.881 -7.223 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.289 2.787 -8.429 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.643 5.752 -8.721 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.022 4.873 -9.350 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.842 5.454 -10.923 1.00 0.00 H new ATOM 0 HD3 PRO A 91 8.815 4.021 -11.190 1.00 0.00 H new ATOM 1415 N THR A 92 5.785 3.194 -6.724 1.00 0.00 N ATOM 1416 CA THR A 92 4.820 3.657 -5.728 1.00 0.00 C ATOM 1417 C THR A 92 5.185 3.124 -4.338 1.00 0.00 C ATOM 1418 O THR A 92 5.283 1.907 -4.134 1.00 0.00 O ATOM 1419 CB THR A 92 3.359 3.370 -6.101 1.00 0.00 C ATOM 1420 OG1 THR A 92 2.589 3.425 -4.930 1.00 0.00 O ATOM 1421 CG2 THR A 92 3.196 2.064 -6.862 1.00 0.00 C ATOM 0 H THR A 92 6.190 2.284 -6.504 1.00 0.00 H new ATOM 0 HA THR A 92 4.889 4.745 -5.706 1.00 0.00 H new ATOM 0 HB THR A 92 3.003 4.131 -6.795 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.588 2.546 -4.498 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.144 1.911 -7.100 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.775 2.106 -7.785 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.553 1.238 -6.247 1.00 0.00 H new ATOM 1429 N PRO A 93 5.465 4.030 -3.386 1.00 0.00 N ATOM 1430 CA PRO A 93 5.747 3.655 -2.020 1.00 0.00 C ATOM 1431 C PRO A 93 4.499 3.204 -1.275 1.00 0.00 C ATOM 1432 O PRO A 93 4.592 2.411 -0.342 1.00 0.00 O ATOM 1433 CB PRO A 93 6.332 4.910 -1.368 1.00 0.00 C ATOM 1434 CG PRO A 93 5.753 6.053 -2.165 1.00 0.00 C ATOM 1435 CD PRO A 93 5.621 5.461 -3.555 1.00 0.00 C ATOM 0 HA PRO A 93 6.432 2.808 -1.987 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.053 4.978 -0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.421 4.908 -1.410 1.00 0.00 H new ATOM 0 HG2 PRO A 93 4.790 6.375 -1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.408 6.924 -2.157 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.763 5.885 -4.076 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.502 5.686 -4.156 1.00 0.00 H new ATOM 1443 N ILE A 94 3.352 3.765 -1.652 1.00 0.00 N ATOM 1444 CA ILE A 94 2.080 3.470 -1.025 1.00 0.00 C ATOM 1445 C ILE A 94 1.645 2.070 -1.467 1.00 0.00 C ATOM 1446 O ILE A 94 1.778 1.724 -2.641 1.00 0.00 O ATOM 1447 CB ILE A 94 1.027 4.553 -1.336 1.00 0.00 C ATOM 1448 CG1 ILE A 94 1.514 5.967 -0.988 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.268 4.302 -0.520 1.00 0.00 C ATOM 1450 CD1 ILE A 94 0.853 7.091 -1.764 1.00 0.00 C ATOM 0 H ILE A 94 3.286 4.444 -2.411 1.00 0.00 H new ATOM 0 HA ILE A 94 2.184 3.480 0.060 1.00 0.00 H new ATOM 0 HB ILE A 94 0.842 4.489 -2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.351 6.138 0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.590 6.015 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.000 5.076 -0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.678 3.326 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.038 4.328 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.267 8.047 -1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.037 6.955 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.221 7.080 -1.577 1.00 0.00 H new ATOM 1462 N ARG A 95 1.128 1.258 -0.547 1.00 0.00 N ATOM 1463 CA ARG A 95 0.564 -0.068 -0.818 1.00 0.00 C ATOM 1464 C ARG A 95 -0.682 -0.281 0.023 1.00 0.00 C ATOM 1465 O ARG A 95 -0.699 0.061 1.203 1.00 0.00 O ATOM 1466 CB ARG A 95 1.621 -1.141 -0.521 1.00 0.00 C ATOM 1467 CG ARG A 95 2.611 -1.288 -1.684 1.00 0.00 C ATOM 1468 CD ARG A 95 3.935 -1.844 -1.192 1.00 0.00 C ATOM 1469 NE ARG A 95 5.020 -1.510 -2.127 1.00 0.00 N ATOM 1470 CZ ARG A 95 6.193 -2.104 -2.125 1.00 0.00 C ATOM 1471 NH1 ARG A 95 6.465 -3.084 -1.305 1.00 0.00 N ATOM 1472 NH2 ARG A 95 7.115 -1.712 -2.965 1.00 0.00 N ATOM 0 H ARG A 95 1.088 1.511 0.440 1.00 0.00 H new ATOM 0 HA ARG A 95 0.280 -0.141 -1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.162 -0.879 0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.130 -2.096 -0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.193 -1.949 -2.443 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.771 -0.319 -2.157 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.161 -1.439 -0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.863 -2.926 -1.083 1.00 0.00 H new ATOM 0 HE ARG A 95 4.853 -0.776 -2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.758 -3.407 -0.644 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.384 -3.526 -1.326 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.922 -0.951 -3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.028 -2.168 -2.970 1.00 0.00 H new ATOM 1486 N VAL A 96 -1.727 -0.828 -0.585 1.00 0.00 N ATOM 1487 CA VAL A 96 -2.947 -1.233 0.112 1.00 0.00 C ATOM 1488 C VAL A 96 -2.712 -2.502 0.903 1.00 0.00 C ATOM 1489 O VAL A 96 -2.149 -3.455 0.382 1.00 0.00 O ATOM 1490 CB VAL A 96 -4.107 -1.385 -0.878 1.00 0.00 C ATOM 1491 CG1 VAL A 96 -3.976 -2.602 -1.793 1.00 0.00 C ATOM 1492 CG2 VAL A 96 -5.415 -1.443 -0.089 1.00 0.00 C ATOM 0 H VAL A 96 -1.754 -1.006 -1.589 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.222 -0.452 0.821 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.092 -0.520 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.832 -2.645 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.059 -2.521 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.943 -3.509 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.252 -1.551 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.393 -2.295 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.535 -0.524 0.485 1.00 0.00 H new ATOM 1502 N VAL A 97 -3.139 -2.507 2.153 1.00 0.00 N ATOM 1503 CA VAL A 97 -3.030 -3.626 3.076 1.00 0.00 C ATOM 1504 C VAL A 97 -4.422 -4.115 3.424 1.00 0.00 C ATOM 1505 O VAL A 97 -5.360 -3.339 3.621 1.00 0.00 O ATOM 1506 CB VAL A 97 -2.231 -3.265 4.337 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -2.007 -4.492 5.222 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -0.857 -2.676 3.989 1.00 0.00 C ATOM 0 H VAL A 97 -3.592 -1.695 2.573 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.475 -4.427 2.587 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.824 -2.522 4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.439 -4.204 6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.970 -4.901 5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.452 -5.247 4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.322 -2.433 4.907 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.283 -3.405 3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.989 -1.771 3.396 1.00 0.00 H new ATOM 1518 N TYR A 98 -4.575 -5.431 3.468 1.00 0.00 N ATOM 1519 CA TYR A 98 -5.841 -6.103 3.709 1.00 0.00 C ATOM 1520 C TYR A 98 -5.626 -7.397 4.481 1.00 0.00 C ATOM 1521 O TYR A 98 -4.646 -8.098 4.280 1.00 0.00 O ATOM 1522 CB TYR A 98 -6.569 -6.360 2.388 1.00 0.00 C ATOM 1523 CG TYR A 98 -5.700 -6.705 1.193 1.00 0.00 C ATOM 1524 CD1 TYR A 98 -4.879 -5.739 0.577 1.00 0.00 C ATOM 1525 CD2 TYR A 98 -5.720 -8.010 0.694 1.00 0.00 C ATOM 1526 CE1 TYR A 98 -4.048 -6.095 -0.498 1.00 0.00 C ATOM 1527 CE2 TYR A 98 -4.961 -8.352 -0.431 1.00 0.00 C ATOM 1528 CZ TYR A 98 -4.115 -7.396 -1.019 1.00 0.00 C ATOM 1529 OH TYR A 98 -3.364 -7.734 -2.085 1.00 0.00 O ATOM 0 H TYR A 98 -3.798 -6.078 3.333 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.468 -5.453 4.319 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.277 -7.174 2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -7.152 -5.473 2.141 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.889 -4.720 0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.326 -8.760 1.180 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.364 -5.374 -0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.025 -9.347 -0.846 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.887 -8.304 -2.686 1.00 0.00 H new ATOM 1539 N ALA A 99 -6.560 -7.710 5.375 1.00 0.00 N ATOM 1540 CA ALA A 99 -6.533 -8.948 6.145 1.00 0.00 C ATOM 1541 C ALA A 99 -7.184 -10.105 5.378 1.00 0.00 C ATOM 1542 O ALA A 99 -8.028 -9.900 4.506 1.00 0.00 O ATOM 1543 CB ALA A 99 -7.201 -8.703 7.507 1.00 0.00 C ATOM 0 H ALA A 99 -7.358 -7.111 5.586 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.498 -9.247 6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.186 -9.624 8.091 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.659 -7.924 8.043 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.233 -8.387 7.355 1.00 0.00 H new ATOM 1549 N ASN A 100 -6.861 -11.327 5.797 1.00 0.00 N ATOM 1550 CA ASN A 100 -7.356 -12.566 5.219 1.00 0.00 C ATOM 1551 C ASN A 100 -8.210 -13.320 6.242 1.00 0.00 C ATOM 1552 O ASN A 100 -7.807 -14.338 6.797 1.00 0.00 O ATOM 1553 CB ASN A 100 -6.164 -13.398 4.730 1.00 0.00 C ATOM 1554 CG ASN A 100 -6.519 -14.381 3.644 1.00 0.00 C ATOM 1555 OD1 ASN A 100 -5.742 -14.591 2.732 1.00 0.00 O ATOM 1556 ND2 ASN A 100 -7.677 -15.006 3.708 1.00 0.00 N ATOM 0 H ASN A 100 -6.223 -11.483 6.578 1.00 0.00 H new ATOM 0 HA ASN A 100 -7.998 -12.356 4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -5.389 -12.726 4.361 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -5.739 -13.940 5.575 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.934 -15.678 2.985 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.316 -14.817 4.480 1.00 0.00 H new ATOM 1563 N SER A 101 -9.417 -12.816 6.493 1.00 0.00 N ATOM 1564 CA SER A 101 -10.330 -13.463 7.441 1.00 0.00 C ATOM 1565 C SER A 101 -11.190 -14.511 6.733 1.00 0.00 C ATOM 1566 O SER A 101 -11.043 -15.699 6.979 1.00 0.00 O ATOM 1567 CB SER A 101 -11.167 -12.408 8.164 1.00 0.00 C ATOM 1568 OG SER A 101 -11.637 -12.927 9.386 1.00 0.00 O ATOM 0 H SER A 101 -9.786 -11.970 6.059 1.00 0.00 H new ATOM 0 HA SER A 101 -9.751 -13.993 8.197 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.567 -11.516 8.344 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.008 -12.107 7.539 1.00 0.00 H new ATOM 0 HG SER A 101 -12.171 -12.247 9.846 1.00 0.00 H new ATOM 1574 N ARG A 102 -12.041 -14.073 5.797 1.00 0.00 N ATOM 1575 CA ARG A 102 -12.992 -14.917 5.051 1.00 0.00 C ATOM 1576 C ARG A 102 -12.846 -14.789 3.531 1.00 0.00 C ATOM 1577 O ARG A 102 -13.838 -14.728 2.813 1.00 0.00 O ATOM 1578 CB ARG A 102 -14.424 -14.641 5.545 1.00 0.00 C ATOM 1579 CG ARG A 102 -14.895 -13.198 5.288 1.00 0.00 C ATOM 1580 CD ARG A 102 -16.393 -13.056 5.580 1.00 0.00 C ATOM 1581 NE ARG A 102 -16.629 -12.678 6.985 1.00 0.00 N ATOM 1582 CZ ARG A 102 -16.548 -11.454 7.477 1.00 0.00 C ATOM 1583 NH1 ARG A 102 -16.246 -10.429 6.722 1.00 0.00 N ATOM 1584 NH2 ARG A 102 -16.751 -11.240 8.745 1.00 0.00 N ATOM 0 H ARG A 102 -12.091 -13.091 5.527 1.00 0.00 H new ATOM 0 HA ARG A 102 -12.755 -15.961 5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -15.109 -15.331 5.053 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -14.477 -14.847 6.614 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.330 -12.509 5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.694 -12.924 4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -16.825 -12.303 4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -16.899 -13.997 5.364 1.00 0.00 H new ATOM 0 HE ARG A 102 -16.876 -13.426 7.633 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -16.066 -10.564 5.727 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -16.190 -9.495 7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.974 -12.019 9.364 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -16.687 -10.293 9.119 1.00 0.00 H new ATOM 1598 N GLY A 103 -11.620 -14.620 3.044 1.00 0.00 N ATOM 1599 CA GLY A 103 -11.339 -14.367 1.625 1.00 0.00 C ATOM 1600 C GLY A 103 -11.637 -12.924 1.165 1.00 0.00 C ATOM 1601 O GLY A 103 -10.887 -12.305 0.419 1.00 0.00 O ATOM 0 H GLY A 103 -10.782 -14.654 3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.290 -14.589 1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.928 -15.057 1.021 1.00 0.00 H new ATOM 1605 N ALA A 104 -12.739 -12.343 1.629 1.00 0.00 N ATOM 1606 CA ALA A 104 -13.041 -10.937 1.391 1.00 0.00 C ATOM 1607 C ALA A 104 -12.092 -10.038 2.192 1.00 0.00 C ATOM 1608 O ALA A 104 -12.039 -10.113 3.424 1.00 0.00 O ATOM 1609 CB ALA A 104 -14.511 -10.659 1.707 1.00 0.00 C ATOM 0 H ALA A 104 -13.445 -12.832 2.179 1.00 0.00 H new ATOM 0 HA ALA A 104 -12.881 -10.705 0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -14.729 -9.606 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -15.143 -11.275 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -14.710 -10.897 2.752 1.00 0.00 H new ATOM 1615 N VAL A 105 -11.355 -9.196 1.472 1.00 0.00 N ATOM 1616 CA VAL A 105 -10.495 -8.178 2.057 1.00 0.00 C ATOM 1617 C VAL A 105 -11.316 -7.193 2.880 1.00 0.00 C ATOM 1618 O VAL A 105 -12.450 -6.876 2.537 1.00 0.00 O ATOM 1619 CB VAL A 105 -9.685 -7.448 0.970 1.00 0.00 C ATOM 1620 CG1 VAL A 105 -8.843 -8.471 0.206 1.00 0.00 C ATOM 1621 CG2 VAL A 105 -10.463 -6.612 -0.051 1.00 0.00 C ATOM 0 H VAL A 105 -11.340 -9.204 0.452 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.787 -8.672 2.723 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.097 -6.721 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.266 -7.963 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -8.164 -8.972 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.498 -9.209 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.766 -6.156 -0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.158 -7.254 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -11.019 -5.830 0.467 1.00 0.00 H new ATOM 1631 N GLN A 106 -10.718 -6.676 3.948 1.00 0.00 N ATOM 1632 CA GLN A 106 -11.361 -5.669 4.798 1.00 0.00 C ATOM 1633 C GLN A 106 -10.749 -4.280 4.641 1.00 0.00 C ATOM 1634 O GLN A 106 -10.969 -3.458 5.519 1.00 0.00 O ATOM 1635 CB GLN A 106 -11.400 -6.150 6.260 1.00 0.00 C ATOM 1636 CG GLN A 106 -10.030 -6.118 6.956 1.00 0.00 C ATOM 1637 CD GLN A 106 -10.043 -6.672 8.377 1.00 0.00 C ATOM 1638 OE1 GLN A 106 -10.758 -7.591 8.751 1.00 0.00 O ATOM 1639 NE2 GLN A 106 -9.166 -6.191 9.227 1.00 0.00 N ATOM 0 H GLN A 106 -9.780 -6.938 4.251 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.391 -5.556 4.460 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.097 -5.527 6.820 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.789 -7.168 6.288 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.318 -6.690 6.361 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.671 -5.089 6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.553 -5.424 8.949 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.097 -6.584 10.166 1.00 0.00 H new ATOM 1648 N TYR A 107 -9.949 -4.046 3.590 1.00 0.00 N ATOM 1649 CA TYR A 107 -9.161 -2.815 3.422 1.00 0.00 C ATOM 1650 C TYR A 107 -8.556 -2.366 4.762 1.00 0.00 C ATOM 1651 O TYR A 107 -8.885 -1.313 5.293 1.00 0.00 O ATOM 1652 CB TYR A 107 -10.059 -1.751 2.786 1.00 0.00 C ATOM 1653 CG TYR A 107 -9.492 -0.350 2.707 1.00 0.00 C ATOM 1654 CD1 TYR A 107 -8.329 -0.096 1.956 1.00 0.00 C ATOM 1655 CD2 TYR A 107 -10.081 0.672 3.478 1.00 0.00 C ATOM 1656 CE1 TYR A 107 -7.758 1.190 1.972 1.00 0.00 C ATOM 1657 CE2 TYR A 107 -9.506 1.950 3.507 1.00 0.00 C ATOM 1658 CZ TYR A 107 -8.354 2.213 2.745 1.00 0.00 C ATOM 1659 OH TYR A 107 -7.847 3.469 2.763 1.00 0.00 O ATOM 0 H TYR A 107 -9.830 -4.711 2.826 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.314 -2.990 2.759 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -10.310 -2.075 1.776 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -10.992 -1.711 3.349 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.877 -0.884 1.371 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -10.976 0.470 4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.868 1.395 1.396 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -9.946 2.729 4.112 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.392 4.033 3.350 1.00 0.00 H new ATOM 1669 N CYS A 108 -7.707 -3.215 5.352 1.00 0.00 N ATOM 1670 CA CYS A 108 -7.042 -2.904 6.624 1.00 0.00 C ATOM 1671 C CYS A 108 -6.485 -1.465 6.654 1.00 0.00 C ATOM 1672 O CYS A 108 -6.581 -0.771 7.665 1.00 0.00 O ATOM 1673 CB CYS A 108 -5.906 -3.908 6.854 1.00 0.00 C ATOM 1674 SG CYS A 108 -4.911 -3.581 8.323 1.00 0.00 S ATOM 0 H CYS A 108 -7.463 -4.127 4.967 1.00 0.00 H new ATOM 0 HA CYS A 108 -7.783 -2.979 7.420 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.332 -4.908 6.933 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.254 -3.907 5.980 1.00 0.00 H new ATOM 1679 N GLY A 109 -5.950 -1.024 5.517 1.00 0.00 N ATOM 1680 CA GLY A 109 -5.607 0.361 5.250 1.00 0.00 C ATOM 1681 C GLY A 109 -4.490 0.444 4.220 1.00 0.00 C ATOM 1682 O GLY A 109 -3.904 -0.551 3.827 1.00 0.00 O ATOM 0 H GLY A 109 -5.739 -1.644 4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.485 0.896 4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.295 0.849 6.173 1.00 0.00 H new ATOM 1686 N VAL A 110 -4.135 1.637 3.782 1.00 0.00 N ATOM 1687 CA VAL A 110 -3.023 1.885 2.846 1.00 0.00 C ATOM 1688 C VAL A 110 -1.827 2.430 3.598 1.00 0.00 C ATOM 1689 O VAL A 110 -1.974 3.365 4.367 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.430 2.869 1.736 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -3.782 2.090 0.479 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -4.653 3.702 2.127 1.00 0.00 C ATOM 0 H VAL A 110 -4.616 2.490 4.067 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.762 0.936 2.378 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.586 3.539 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.071 2.784 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.917 1.512 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -4.611 1.415 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.905 4.383 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.497 3.040 2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.429 4.277 3.026 1.00 0.00 H new ATOM 1702 N MET A 111 -0.650 1.840 3.428 1.00 0.00 N ATOM 1703 CA MET A 111 0.584 2.303 4.070 1.00 0.00 C ATOM 1704 C MET A 111 1.454 2.996 3.050 1.00 0.00 C ATOM 1705 O MET A 111 1.342 2.706 1.862 1.00 0.00 O ATOM 1706 CB MET A 111 1.357 1.149 4.723 1.00 0.00 C ATOM 1707 CG MET A 111 1.728 0.047 3.726 1.00 0.00 C ATOM 1708 SD MET A 111 2.414 -1.406 4.532 1.00 0.00 S ATOM 1709 CE MET A 111 2.504 -2.546 3.130 1.00 0.00 C ATOM 0 H MET A 111 -0.519 1.019 2.836 1.00 0.00 H new ATOM 0 HA MET A 111 0.310 3.002 4.860 1.00 0.00 H new ATOM 0 HB2 MET A 111 2.266 1.539 5.182 1.00 0.00 H new ATOM 0 HB3 MET A 111 0.754 0.721 5.524 1.00 0.00 H new ATOM 0 HG2 MET A 111 0.842 -0.240 3.160 1.00 0.00 H new ATOM 0 HG3 MET A 111 2.451 0.437 3.010 1.00 0.00 H new ATOM 0 HE1 MET A 111 2.617 -3.566 3.497 1.00 0.00 H new ATOM 0 HE2 MET A 111 1.590 -2.471 2.541 1.00 0.00 H new ATOM 0 HE3 MET A 111 3.360 -2.288 2.506 1.00 0.00 H new ATOM 1719 N THR A 112 2.355 3.850 3.508 1.00 0.00 N ATOM 1720 CA THR A 112 3.320 4.528 2.665 1.00 0.00 C ATOM 1721 C THR A 112 4.681 4.579 3.331 1.00 0.00 C ATOM 1722 O THR A 112 4.831 4.352 4.526 1.00 0.00 O ATOM 1723 CB THR A 112 2.811 5.925 2.301 1.00 0.00 C ATOM 1724 OG1 THR A 112 3.589 6.398 1.223 1.00 0.00 O ATOM 1725 CG2 THR A 112 2.886 6.966 3.404 1.00 0.00 C ATOM 0 H THR A 112 2.436 4.094 4.495 1.00 0.00 H new ATOM 0 HA THR A 112 3.439 3.963 1.740 1.00 0.00 H new ATOM 0 HB THR A 112 1.752 5.802 2.074 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.283 7.293 0.967 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.500 7.916 3.035 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.289 6.638 4.255 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.923 7.092 3.715 1.00 0.00 H new ATOM 1733 N HIS A 113 5.714 4.803 2.528 1.00 0.00 N ATOM 1734 CA HIS A 113 7.059 5.047 3.034 1.00 0.00 C ATOM 1735 C HIS A 113 7.252 6.525 3.367 1.00 0.00 C ATOM 1736 O HIS A 113 6.817 7.391 2.612 1.00 0.00 O ATOM 1737 CB HIS A 113 8.092 4.641 1.982 1.00 0.00 C ATOM 1738 CG HIS A 113 7.806 3.330 1.304 1.00 0.00 C ATOM 1739 ND1 HIS A 113 8.108 3.026 -0.005 1.00 0.00 N ATOM 1740 CD2 HIS A 113 7.180 2.254 1.853 1.00 0.00 C ATOM 1741 CE1 HIS A 113 7.708 1.766 -0.252 1.00 0.00 C ATOM 1742 NE2 HIS A 113 7.090 1.316 0.848 1.00 0.00 N ATOM 0 H HIS A 113 5.643 4.821 1.511 1.00 0.00 H new ATOM 0 HA HIS A 113 7.193 4.455 3.939 1.00 0.00 H new ATOM 0 HB2 HIS A 113 8.148 5.423 1.225 1.00 0.00 H new ATOM 0 HB3 HIS A 113 9.072 4.585 2.456 1.00 0.00 H new ATOM 0 HD2 HIS A 113 6.826 2.155 2.869 1.00 0.00 H new ATOM 0 HE1 HIS A 113 7.858 1.217 -1.170 1.00 0.00 H new ATOM 0 HE2 HIS A 113 6.622 0.413 0.929 1.00 0.00 H new ATOM 1751 N SER A 114 8.123 6.788 4.336 1.00 0.00 N ATOM 1752 CA SER A 114 8.488 8.143 4.763 1.00 0.00 C ATOM 1753 C SER A 114 9.825 8.614 4.158 1.00 0.00 C ATOM 1754 O SER A 114 10.578 9.370 4.767 1.00 0.00 O ATOM 1755 CB SER A 114 8.502 8.195 6.291 1.00 0.00 C ATOM 1756 OG SER A 114 8.520 9.544 6.693 1.00 0.00 O ATOM 0 H SER A 114 8.605 6.056 4.858 1.00 0.00 H new ATOM 0 HA SER A 114 7.739 8.840 4.386 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.624 7.691 6.695 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.376 7.672 6.680 1.00 0.00 H new ATOM 0 HG SER A 114 8.528 9.594 7.672 1.00 0.00 H new ATOM 1762 N LYS A 115 10.199 8.098 2.979 1.00 0.00 N ATOM 1763 CA LYS A 115 11.464 8.425 2.294 1.00 0.00 C ATOM 1764 C LYS A 115 11.301 8.637 0.796 1.00 0.00 C ATOM 1765 O LYS A 115 11.897 7.924 -0.019 1.00 0.00 O ATOM 1766 CB LYS A 115 12.502 7.333 2.580 1.00 0.00 C ATOM 1767 CG LYS A 115 13.216 7.525 3.909 1.00 0.00 C ATOM 1768 CD LYS A 115 14.331 8.576 3.856 1.00 0.00 C ATOM 1769 CE LYS A 115 15.343 8.330 4.986 1.00 0.00 C ATOM 1770 NZ LYS A 115 16.570 9.147 4.807 1.00 0.00 N ATOM 0 H LYS A 115 9.624 7.431 2.464 1.00 0.00 H new ATOM 0 HA LYS A 115 11.809 9.378 2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.009 6.361 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 115 13.239 7.320 1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.487 7.817 4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.640 6.572 4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.835 8.534 2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.905 9.575 3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.883 8.568 5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.609 7.273 5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.231 8.956 5.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.021 8.902 3.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.318 10.156 4.806 1.00 0.00 H new ATOM 1784 N VAL A 116 10.529 9.646 0.429 1.00 0.00 N ATOM 1785 CA VAL A 116 10.236 9.949 -0.965 1.00 0.00 C ATOM 1786 C VAL A 116 10.973 11.194 -1.415 1.00 0.00 C ATOM 1787 O VAL A 116 10.708 12.242 -0.883 1.00 0.00 O ATOM 1788 CB VAL A 116 8.720 10.093 -1.168 1.00 0.00 C ATOM 1789 CG1 VAL A 116 8.071 8.708 -1.127 1.00 0.00 C ATOM 1790 CG2 VAL A 116 7.964 10.969 -0.161 1.00 0.00 C ATOM 0 H VAL A 116 10.085 10.282 1.091 1.00 0.00 H new ATOM 0 HA VAL A 116 10.586 9.122 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 116 8.638 10.598 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.995 8.806 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.488 8.087 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.267 8.243 -0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.905 10.987 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.088 10.560 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.361 11.984 -0.191 1.00 0.00 H new ATOM 1800 N ASP A 117 11.895 11.097 -2.373 1.00 0.00 N ATOM 1801 CA ASP A 117 12.640 12.274 -2.860 1.00 0.00 C ATOM 1802 C ASP A 117 12.247 12.613 -4.307 1.00 0.00 C ATOM 1803 O ASP A 117 11.481 13.535 -4.576 1.00 0.00 O ATOM 1804 CB ASP A 117 14.142 12.020 -2.678 1.00 0.00 C ATOM 1805 CG ASP A 117 14.910 13.325 -2.550 1.00 0.00 C ATOM 1806 OD1 ASP A 117 15.163 13.917 -3.623 1.00 0.00 O ATOM 1807 OD2 ASP A 117 15.280 13.608 -1.398 1.00 0.00 O ATOM 0 H ASP A 117 12.148 10.221 -2.830 1.00 0.00 H new ATOM 0 HA ASP A 117 12.380 13.156 -2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.305 11.411 -1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.523 11.453 -3.527 1.00 0.00 H new ATOM 1812 N LYS A 118 12.693 11.758 -5.234 1.00 0.00 N ATOM 1813 CA LYS A 118 12.448 11.851 -6.680 1.00 0.00 C ATOM 1814 C LYS A 118 11.677 10.665 -7.230 1.00 0.00 C ATOM 1815 O LYS A 118 10.690 10.830 -7.924 1.00 0.00 O ATOM 1816 CB LYS A 118 13.789 12.020 -7.412 1.00 0.00 C ATOM 1817 CG LYS A 118 14.411 13.410 -7.216 1.00 0.00 C ATOM 1818 CD LYS A 118 13.663 14.480 -8.027 1.00 0.00 C ATOM 1819 CE LYS A 118 14.027 15.879 -7.526 1.00 0.00 C ATOM 1820 NZ LYS A 118 15.217 16.423 -8.222 1.00 0.00 N ATOM 0 H LYS A 118 13.259 10.946 -4.987 1.00 0.00 H new ATOM 0 HA LYS A 118 11.817 12.723 -6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.488 11.262 -7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 118 13.640 11.842 -8.477 1.00 0.00 H new ATOM 0 HG2 LYS A 118 14.391 13.673 -6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.458 13.388 -7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 118 13.916 14.388 -9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 118 12.588 14.324 -7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 118 13.181 16.550 -7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 118 14.219 15.842 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 15.431 17.372 -7.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 16.031 15.797 -8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 15.025 16.483 -9.242 1.00 0.00 H new ATOM 1834 N ASN A 119 12.123 9.465 -6.870 1.00 0.00 N ATOM 1835 CA ASN A 119 11.493 8.210 -7.279 1.00 0.00 C ATOM 1836 C ASN A 119 10.528 7.666 -6.234 1.00 0.00 C ATOM 1837 O ASN A 119 10.152 6.495 -6.296 1.00 0.00 O ATOM 1838 CB ASN A 119 12.591 7.187 -7.595 1.00 0.00 C ATOM 1839 CG ASN A 119 13.213 7.445 -8.948 1.00 0.00 C ATOM 1840 OD1 ASN A 119 12.538 7.687 -9.925 1.00 0.00 O ATOM 1841 ND2 ASN A 119 14.515 7.374 -9.054 1.00 0.00 N ATOM 0 H ASN A 119 12.943 9.333 -6.278 1.00 0.00 H new ATOM 0 HA ASN A 119 10.893 8.404 -8.168 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.361 7.228 -6.825 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.171 6.181 -7.572 1.00 0.00 H new ATOM 0 HD21 ASN A 119 14.962 7.522 -9.959 1.00 0.00 H new ATOM 0 HD22 ASN A 119 15.083 7.170 -8.232 1.00 0.00 H new ATOM 1848 N ASN A 120 10.184 8.479 -5.227 1.00 0.00 N ATOM 1849 CA ASN A 120 9.281 8.096 -4.147 1.00 0.00 C ATOM 1850 C ASN A 120 9.592 6.682 -3.604 1.00 0.00 C ATOM 1851 O ASN A 120 8.705 5.856 -3.397 1.00 0.00 O ATOM 1852 CB ASN A 120 7.813 8.362 -4.558 1.00 0.00 C ATOM 1853 CG ASN A 120 7.519 8.195 -6.035 1.00 0.00 C ATOM 1854 OD1 ASN A 120 7.583 9.139 -6.795 1.00 0.00 O ATOM 1855 ND2 ASN A 120 7.214 6.999 -6.477 1.00 0.00 N ATOM 0 H ASN A 120 10.533 9.434 -5.143 1.00 0.00 H new ATOM 0 HA ASN A 120 9.451 8.733 -3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.167 7.688 -3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.548 9.377 -4.263 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.027 6.854 -7.469 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.163 6.213 -5.829 1.00 0.00 H new ATOM 1862 N GLN A 121 10.884 6.368 -3.453 1.00 0.00 N ATOM 1863 CA GLN A 121 11.299 5.020 -3.089 1.00 0.00 C ATOM 1864 C GLN A 121 10.933 4.724 -1.625 1.00 0.00 C ATOM 1865 O GLN A 121 10.422 5.569 -0.896 1.00 0.00 O ATOM 1866 CB GLN A 121 12.796 4.823 -3.429 1.00 0.00 C ATOM 1867 CG GLN A 121 13.146 3.367 -3.789 1.00 0.00 C ATOM 1868 CD GLN A 121 12.256 2.831 -4.906 1.00 0.00 C ATOM 1869 OE1 GLN A 121 11.392 2.002 -4.680 1.00 0.00 O ATOM 1870 NE2 GLN A 121 12.354 3.358 -6.106 1.00 0.00 N ATOM 0 H GLN A 121 11.651 7.028 -3.578 1.00 0.00 H new ATOM 0 HA GLN A 121 10.756 4.281 -3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 121 13.061 5.472 -4.264 1.00 0.00 H new ATOM 0 HB3 GLN A 121 13.400 5.136 -2.578 1.00 0.00 H new ATOM 0 HG2 GLN A 121 14.190 3.309 -4.097 1.00 0.00 H new ATOM 0 HG3 GLN A 121 13.039 2.738 -2.905 1.00 0.00 H new ATOM 0 HE21 GLN A 121 13.075 4.052 -6.301 1.00 0.00 H new ATOM 0 HE22 GLN A 121 11.709 3.073 -6.843 1.00 0.00 H new ATOM 1879 N GLY A 122 11.142 3.494 -1.171 1.00 0.00 N ATOM 1880 CA GLY A 122 10.982 3.131 0.238 1.00 0.00 C ATOM 1881 C GLY A 122 12.294 2.776 0.872 1.00 0.00 C ATOM 1882 O GLY A 122 12.880 1.775 0.487 1.00 0.00 O ATOM 0 H GLY A 122 11.428 2.717 -1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 122 10.530 3.962 0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.298 2.287 0.321 1.00 0.00 H new ATOM 1886 N LYS A 123 12.755 3.629 1.785 1.00 0.00 N ATOM 1887 CA LYS A 123 13.979 3.373 2.556 1.00 0.00 C ATOM 1888 C LYS A 123 13.723 3.233 4.053 1.00 0.00 C ATOM 1889 O LYS A 123 14.313 2.371 4.683 1.00 0.00 O ATOM 1890 CB LYS A 123 15.048 4.440 2.282 1.00 0.00 C ATOM 1891 CG LYS A 123 15.157 4.852 0.803 1.00 0.00 C ATOM 1892 CD LYS A 123 16.497 5.544 0.507 1.00 0.00 C ATOM 1893 CE LYS A 123 16.441 7.051 0.801 1.00 0.00 C ATOM 1894 NZ LYS A 123 16.035 7.840 -0.393 1.00 0.00 N ATOM 0 H LYS A 123 12.298 4.512 2.013 1.00 0.00 H new ATOM 0 HA LYS A 123 14.356 2.410 2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 123 14.826 5.324 2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 123 16.015 4.065 2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.054 3.970 0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.336 5.523 0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 123 17.283 5.086 1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 123 16.763 5.388 -0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 123 15.738 7.235 1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 123 17.419 7.390 1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 16.010 8.851 -0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 16.720 7.685 -1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 15.091 7.536 -0.705 1.00 0.00 H new ATOM 1908 N GLU A 124 12.886 4.109 4.599 1.00 0.00 N ATOM 1909 CA GLU A 124 12.446 4.047 5.998 1.00 0.00 C ATOM 1910 C GLU A 124 11.328 3.019 6.187 1.00 0.00 C ATOM 1911 O GLU A 124 10.867 2.407 5.215 1.00 0.00 O ATOM 1912 CB GLU A 124 11.992 5.451 6.456 1.00 0.00 C ATOM 1913 CG GLU A 124 13.164 6.292 6.980 1.00 0.00 C ATOM 1914 CD GLU A 124 13.907 5.655 8.147 1.00 0.00 C ATOM 1915 OE1 GLU A 124 13.236 5.058 9.013 1.00 0.00 O ATOM 1916 OE2 GLU A 124 15.153 5.763 8.090 1.00 0.00 O ATOM 0 H GLU A 124 12.487 4.892 4.081 1.00 0.00 H new ATOM 0 HA GLU A 124 13.284 3.724 6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.519 5.969 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.239 5.351 7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.867 6.465 6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.789 7.267 7.290 1.00 0.00 H new ATOM 1923 N PHE A 125 10.885 2.875 7.437 1.00 0.00 N ATOM 1924 CA PHE A 125 9.723 2.081 7.818 1.00 0.00 C ATOM 1925 C PHE A 125 8.444 2.498 7.068 1.00 0.00 C ATOM 1926 O PHE A 125 8.395 3.477 6.304 1.00 0.00 O ATOM 1927 CB PHE A 125 9.521 2.165 9.341 1.00 0.00 C ATOM 1928 CG PHE A 125 9.102 3.540 9.836 1.00 0.00 C ATOM 1929 CD1 PHE A 125 10.078 4.506 10.142 1.00 0.00 C ATOM 1930 CD2 PHE A 125 7.737 3.868 9.966 1.00 0.00 C ATOM 1931 CE1 PHE A 125 9.697 5.793 10.560 1.00 0.00 C ATOM 1932 CE2 PHE A 125 7.359 5.148 10.409 1.00 0.00 C ATOM 1933 CZ PHE A 125 8.337 6.115 10.695 1.00 0.00 C ATOM 0 H PHE A 125 11.340 3.322 8.233 1.00 0.00 H new ATOM 0 HA PHE A 125 9.919 1.048 7.531 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.765 1.438 9.637 1.00 0.00 H new ATOM 0 HB3 PHE A 125 10.449 1.879 9.836 1.00 0.00 H new ATOM 0 HD1 PHE A 125 11.125 4.257 10.055 1.00 0.00 H new ATOM 0 HD2 PHE A 125 6.981 3.135 9.725 1.00 0.00 H new ATOM 0 HE1 PHE A 125 10.451 6.535 10.778 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.313 5.388 10.530 1.00 0.00 H new ATOM 0 HZ PHE A 125 8.044 7.103 11.018 1.00 0.00 H new ATOM 1943 N PHE A 126 7.386 1.726 7.303 1.00 0.00 N ATOM 1944 CA PHE A 126 6.109 1.929 6.651 1.00 0.00 C ATOM 1945 C PHE A 126 5.159 2.538 7.668 1.00 0.00 C ATOM 1946 O PHE A 126 4.962 2.041 8.773 1.00 0.00 O ATOM 1947 CB PHE A 126 5.609 0.615 6.052 1.00 0.00 C ATOM 1948 CG PHE A 126 6.374 0.111 4.838 1.00 0.00 C ATOM 1949 CD1 PHE A 126 7.776 -0.035 4.846 1.00 0.00 C ATOM 1950 CD2 PHE A 126 5.662 -0.245 3.682 1.00 0.00 C ATOM 1951 CE1 PHE A 126 8.457 -0.475 3.703 1.00 0.00 C ATOM 1952 CE2 PHE A 126 6.325 -0.798 2.578 1.00 0.00 C ATOM 1953 CZ PHE A 126 7.732 -0.903 2.581 1.00 0.00 C ATOM 0 H PHE A 126 7.397 0.941 7.954 1.00 0.00 H new ATOM 0 HA PHE A 126 6.191 2.620 5.812 1.00 0.00 H new ATOM 0 HB2 PHE A 126 5.644 -0.152 6.825 1.00 0.00 H new ATOM 0 HB3 PHE A 126 4.562 0.739 5.774 1.00 0.00 H new ATOM 0 HD1 PHE A 126 8.332 0.195 5.743 1.00 0.00 H new ATOM 0 HD2 PHE A 126 4.594 -0.091 3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 126 9.537 -0.485 3.686 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.759 -1.144 1.725 1.00 0.00 H new ATOM 0 HZ PHE A 126 8.248 -1.311 1.724 1.00 0.00 H new ATOM 1963 N GLU A 127 4.574 3.663 7.317 1.00 0.00 N ATOM 1964 CA GLU A 127 3.575 4.349 8.114 1.00 0.00 C ATOM 1965 C GLU A 127 2.242 4.254 7.385 1.00 0.00 C ATOM 1966 O GLU A 127 2.121 4.566 6.202 1.00 0.00 O ATOM 1967 CB GLU A 127 3.999 5.789 8.422 1.00 0.00 C ATOM 1968 CG GLU A 127 4.784 6.460 7.288 1.00 0.00 C ATOM 1969 CD GLU A 127 4.555 7.961 7.272 1.00 0.00 C ATOM 1970 OE1 GLU A 127 4.659 8.562 8.365 1.00 0.00 O ATOM 1971 OE2 GLU A 127 4.283 8.469 6.160 1.00 0.00 O ATOM 0 H GLU A 127 4.786 4.142 6.442 1.00 0.00 H new ATOM 0 HA GLU A 127 3.469 3.873 9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.110 6.382 8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.609 5.793 9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.848 6.253 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.482 6.034 6.332 1.00 0.00 H new ATOM 1978 N LYS A 128 1.230 3.738 8.084 1.00 0.00 N ATOM 1979 CA LYS A 128 -0.161 3.771 7.621 1.00 0.00 C ATOM 1980 C LYS A 128 -0.571 5.202 7.245 1.00 0.00 C ATOM 1981 O LYS A 128 -0.154 6.144 7.913 1.00 0.00 O ATOM 1982 CB LYS A 128 -1.094 3.120 8.656 1.00 0.00 C ATOM 1983 CG LYS A 128 -1.021 3.705 10.079 1.00 0.00 C ATOM 1984 CD LYS A 128 -1.978 4.894 10.257 1.00 0.00 C ATOM 1985 CE LYS A 128 -1.723 5.649 11.556 1.00 0.00 C ATOM 1986 NZ LYS A 128 -2.251 7.037 11.451 1.00 0.00 N ATOM 0 H LYS A 128 1.351 3.284 8.989 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.253 3.177 6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -2.120 3.207 8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.864 2.056 8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.267 2.929 10.804 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -0.000 4.025 10.288 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -1.867 5.577 9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -3.007 4.535 10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -2.202 5.131 12.387 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -0.654 5.673 11.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -2.073 7.544 12.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -1.775 7.531 10.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -3.274 7.006 11.269 1.00 0.00 H new ATOM 2000 N CYS A 129 -1.411 5.330 6.225 1.00 0.00 N ATOM 2001 CA CYS A 129 -2.039 6.584 5.812 1.00 0.00 C ATOM 2002 C CYS A 129 -3.182 6.971 6.775 1.00 0.00 C ATOM 2003 O CYS A 129 -3.505 6.225 7.714 1.00 0.00 O ATOM 2004 CB CYS A 129 -2.553 6.396 4.368 1.00 0.00 C ATOM 2005 SG CYS A 129 -2.550 7.792 3.230 1.00 0.00 S ATOM 0 H CYS A 129 -1.684 4.539 5.642 1.00 0.00 H new ATOM 0 HA CYS A 129 -1.318 7.401 5.844 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -1.960 5.603 3.912 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -3.578 6.031 4.432 1.00 0.00 H new ATOM 2010 N ASP A 130 -3.804 8.115 6.501 1.00 0.00 N ATOM 2011 CA ASP A 130 -4.865 8.762 7.275 1.00 0.00 C ATOM 2012 C ASP A 130 -5.768 9.671 6.418 1.00 0.00 C ATOM 2013 O ASP A 130 -5.236 10.389 5.540 1.00 0.00 O ATOM 2014 CB ASP A 130 -4.243 9.539 8.457 1.00 0.00 C ATOM 2015 CG ASP A 130 -2.931 10.329 8.212 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -1.876 9.658 8.084 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -2.902 11.552 8.485 1.00 0.00 O ATOM 2018 OXT ASP A 130 -7.001 9.577 6.614 1.00 0.00 O ATOM 0 H ASP A 130 -3.563 8.656 5.670 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.517 7.978 7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -4.991 10.243 8.822 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -4.056 8.827 9.261 1.00 0.00 H new TER 2023 ASP A 130