USER MOD reduce.3.24.130724 H: found=0, std=0, add=979, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 981 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 72 SER OG : rot 144:sc= 0.534 USER MOD Set 1.2: A 132 SER OG : rot 82:sc= 1.16 USER MOD Set 2.1: A 41 CYS SG : rot -31:sc= 1.14 USER MOD Set 2.2: A 66 CYS SG : rot 15:sc= 3.21 USER MOD Set 2.3: A 128 CYS SG : rot -102:sc= 0.652 USER MOD Set 3.1: A 20 LYS NZ :NH3+ -142:sc= 2.21 (180deg=0.746) USER MOD Set 3.2: A 21 ASN : amide:sc= -0.282 K(o=1.9,f=-6.9!) USER MOD Set 4.1: A 18 HIS : no HD1:sc= 0.921 K(o=2.6,f=-6.1!) USER MOD Set 4.2: A 24 ASN : amide:sc= 0.477 K(o=2.6,f=1.3) USER MOD Set 4.3: A 74 SER OG : rot 16:sc= 1.15 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0958 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 16 MET CE :methyl -139:sc= -0.316 (180deg=-1.3) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= -0.0541 (180deg=-0.399) USER MOD Single : A 29 ASN : amide:sc= -0.09 K(o=-0.09,f=-2.1!) USER MOD Single : A 31 SER OG : rot -92:sc= 1.73 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc=-0.00797 X(o=-0.008,f=0) USER MOD Single : A 38 ASN : amide:sc= -5.87! C(o=-5.9!,f=-8.6!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -100:sc= 0.0767 USER MOD Single : A 49 MET CE :methyl -172:sc= -4.12! (180deg=-4.12!) USER MOD Single : A 50 LYS NZ :NH3+ -157:sc= 1.06 (180deg=-0.183!) USER MOD Single : A 60 LYS NZ :NH3+ 178:sc= 0.726 (180deg=0.698) USER MOD Single : A 67 SER OG : rot 180:sc= 0.028 USER MOD Single : A 69 SER OG : rot 130:sc= -0.0742 USER MOD Single : A 70 MET CE :methyl 147:sc= -0.673 (180deg=-1.31) USER MOD Single : A 75 MET CE :methyl -149:sc= -0.235 (180deg=-1.68!) USER MOD Single : A 76 MET CE :methyl -162:sc= -0.0882 (180deg=-0.529) USER MOD Single : A 77 THR OG1 : rot 111:sc= 1.21 USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -116:sc= 1.36 (180deg=-0.514) USER MOD Single : A 87 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 90 SER OG : rot 83:sc= 1.26 USER MOD Single : A 91 MET CE :methyl 157:sc= -3.98! (180deg=-4.71!) USER MOD Single : A 92 SER OG : rot 138:sc= 1.59 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.0331 USER MOD Single : A 117 GLN :FLIP amide:sc= -0.936 F(o=-2!,f=-0.94) USER MOD Single : A 120 SER OG : rot 62:sc= 0.99 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 170:sc= -2.42! USER MOD Single : A 134 LYS NZ :NH3+ -144:sc= -0.0751 (180deg=-1.59!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -160:sc= -1.89! (180deg=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 89 N LEU A 7 -9.657 -9.264 11.209 1.00 0.00 N ATOM 90 CA LEU A 7 -9.625 -8.982 9.779 1.00 0.00 C ATOM 91 C LEU A 7 -11.000 -9.112 9.153 1.00 0.00 C ATOM 92 O LEU A 7 -11.358 -8.328 8.275 1.00 0.00 O ATOM 93 CB LEU A 7 -8.647 -9.917 9.062 1.00 0.00 C ATOM 94 CG LEU A 7 -7.179 -9.746 9.448 1.00 0.00 C ATOM 95 CD1 LEU A 7 -6.319 -10.761 8.715 1.00 0.00 C ATOM 96 CD2 LEU A 7 -6.710 -8.331 9.146 1.00 0.00 C ATOM 0 HA LEU A 7 -9.289 -7.952 9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.941 -10.947 9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.744 -9.762 7.987 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.080 -9.918 10.520 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.275 -10.627 9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.641 -11.769 8.979 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.423 -10.617 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.662 -8.227 9.427 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.821 -8.130 8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.310 -7.620 9.714 1.00 0.00 H new ATOM 108 N ASP A 8 -11.766 -10.096 9.614 1.00 0.00 N ATOM 109 CA ASP A 8 -13.087 -10.383 9.054 1.00 0.00 C ATOM 110 C ASP A 8 -13.935 -9.124 8.989 1.00 0.00 C ATOM 111 O ASP A 8 -14.531 -8.814 7.961 1.00 0.00 O ATOM 112 CB ASP A 8 -13.811 -11.437 9.894 1.00 0.00 C ATOM 113 CG ASP A 8 -13.032 -12.728 10.003 1.00 0.00 C ATOM 114 OD1 ASP A 8 -12.195 -12.839 10.919 1.00 0.00 O ATOM 115 OD2 ASP A 8 -13.248 -13.633 9.169 1.00 0.00 O ATOM 0 H ASP A 8 -11.494 -10.713 10.379 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.941 -10.765 8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.991 -11.040 10.893 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.786 -11.641 9.452 1.00 0.00 H new ATOM 120 N THR A 9 -13.948 -8.383 10.082 1.00 0.00 N ATOM 121 CA THR A 9 -14.733 -7.165 10.167 1.00 0.00 C ATOM 122 C THR A 9 -14.066 -6.013 9.419 1.00 0.00 C ATOM 123 O THR A 9 -14.735 -5.087 8.952 1.00 0.00 O ATOM 124 CB THR A 9 -14.941 -6.772 11.637 1.00 0.00 C ATOM 125 OG1 THR A 9 -13.778 -7.134 12.395 1.00 0.00 O ATOM 126 CG2 THR A 9 -16.170 -7.452 12.219 1.00 0.00 C ATOM 0 H THR A 9 -13.421 -8.605 10.927 1.00 0.00 H new ATOM 0 HA THR A 9 -15.698 -7.361 9.699 1.00 0.00 H new ATOM 0 HB THR A 9 -15.096 -5.694 11.689 1.00 0.00 H new ATOM 0 HG1 THR A 9 -13.908 -6.883 13.333 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.291 -7.155 13.261 1.00 0.00 H new ATOM 0 HG22 THR A 9 -17.052 -7.156 11.652 1.00 0.00 H new ATOM 0 HG23 THR A 9 -16.048 -8.534 12.162 1.00 0.00 H new ATOM 134 N LEU A 10 -12.751 -6.096 9.274 1.00 0.00 N ATOM 135 CA LEU A 10 -11.976 -5.022 8.681 1.00 0.00 C ATOM 136 C LEU A 10 -12.109 -5.045 7.162 1.00 0.00 C ATOM 137 O LEU A 10 -12.583 -4.081 6.564 1.00 0.00 O ATOM 138 CB LEU A 10 -10.501 -5.148 9.111 1.00 0.00 C ATOM 139 CG LEU A 10 -9.593 -3.938 8.828 1.00 0.00 C ATOM 140 CD1 LEU A 10 -9.213 -3.858 7.355 1.00 0.00 C ATOM 141 CD2 LEU A 10 -10.264 -2.646 9.274 1.00 0.00 C ATOM 0 H LEU A 10 -12.198 -6.903 9.562 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.360 -4.065 9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.475 -5.350 10.182 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.074 -6.018 8.612 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.677 -4.073 9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.572 -2.992 7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.680 -4.764 7.067 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.115 -3.761 6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.605 -1.803 9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.201 -2.517 8.733 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.466 -2.692 10.344 1.00 0.00 H new ATOM 153 N TYR A 11 -11.730 -6.155 6.544 1.00 0.00 N ATOM 154 CA TYR A 11 -11.673 -6.218 5.097 1.00 0.00 C ATOM 155 C TYR A 11 -13.065 -6.358 4.508 1.00 0.00 C ATOM 156 O TYR A 11 -13.276 -6.023 3.353 1.00 0.00 O ATOM 157 CB TYR A 11 -10.735 -7.335 4.600 1.00 0.00 C ATOM 158 CG TYR A 11 -11.233 -8.760 4.772 1.00 0.00 C ATOM 159 CD1 TYR A 11 -12.237 -9.281 3.961 1.00 0.00 C ATOM 160 CD2 TYR A 11 -10.672 -9.594 5.729 1.00 0.00 C ATOM 161 CE1 TYR A 11 -12.669 -10.586 4.106 1.00 0.00 C ATOM 162 CE2 TYR A 11 -11.100 -10.897 5.881 1.00 0.00 C ATOM 163 CZ TYR A 11 -12.097 -11.389 5.068 1.00 0.00 C ATOM 164 OH TYR A 11 -12.523 -12.689 5.219 1.00 0.00 O ATOM 0 H TYR A 11 -11.460 -7.016 7.020 1.00 0.00 H new ATOM 0 HA TYR A 11 -11.250 -5.276 4.747 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.535 -7.168 3.542 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.783 -7.240 5.123 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.687 -8.654 3.205 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.886 -9.216 6.366 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -13.450 -10.974 3.469 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -10.655 -11.529 6.635 1.00 0.00 H new ATOM 0 HH TYR A 11 -12.016 -13.118 5.940 1.00 0.00 H new ATOM 174 N ARG A 12 -14.020 -6.838 5.300 1.00 0.00 N ATOM 175 CA ARG A 12 -15.406 -6.869 4.856 1.00 0.00 C ATOM 176 C ARG A 12 -15.934 -5.443 4.770 1.00 0.00 C ATOM 177 O ARG A 12 -16.717 -5.104 3.885 1.00 0.00 O ATOM 178 CB ARG A 12 -16.265 -7.703 5.806 1.00 0.00 C ATOM 179 CG ARG A 12 -17.707 -7.862 5.354 1.00 0.00 C ATOM 180 CD ARG A 12 -18.484 -8.765 6.297 1.00 0.00 C ATOM 181 NE ARG A 12 -18.553 -8.220 7.653 1.00 0.00 N ATOM 182 CZ ARG A 12 -18.280 -8.922 8.754 1.00 0.00 C ATOM 183 NH1 ARG A 12 -17.802 -10.157 8.661 1.00 0.00 N ATOM 184 NH2 ARG A 12 -18.453 -8.371 9.949 1.00 0.00 N ATOM 0 H ARG A 12 -13.861 -7.205 6.238 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.455 -7.335 3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.817 -8.691 5.912 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -16.253 -7.240 6.792 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -18.186 -6.884 5.307 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -17.731 -8.278 4.347 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -19.494 -8.906 5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -18.014 -9.748 6.326 1.00 0.00 H new ATOM 0 HE ARG A 12 -18.827 -7.244 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -17.642 -10.574 7.744 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.595 -10.689 9.506 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -18.794 -7.413 10.024 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -18.245 -8.906 10.792 1.00 0.00 H new ATOM 198 N GLN A 13 -15.481 -4.609 5.699 1.00 0.00 N ATOM 199 CA GLN A 13 -15.797 -3.193 5.674 1.00 0.00 C ATOM 200 C GLN A 13 -15.088 -2.529 4.496 1.00 0.00 C ATOM 201 O GLN A 13 -15.668 -1.697 3.796 1.00 0.00 O ATOM 202 CB GLN A 13 -15.371 -2.530 6.989 1.00 0.00 C ATOM 203 CG GLN A 13 -15.731 -1.055 7.084 1.00 0.00 C ATOM 204 CD GLN A 13 -15.249 -0.412 8.371 1.00 0.00 C ATOM 205 OE1 GLN A 13 -14.135 -0.894 8.900 1.00 0.00 O flip ATOM 206 NE2 GLN A 13 -15.871 0.515 8.885 1.00 0.00 N flip ATOM 0 H GLN A 13 -14.891 -4.895 6.481 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.874 -3.071 5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -15.837 -3.061 7.819 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -14.293 -2.638 7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -15.299 -0.525 6.235 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.813 -0.945 7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.726 0.860 8.448 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.532 0.940 9.748 1.00 0.00 H new ATOM 215 N VAL A 14 -13.834 -2.926 4.272 1.00 0.00 N ATOM 216 CA VAL A 14 -13.036 -2.351 3.191 1.00 0.00 C ATOM 217 C VAL A 14 -13.568 -2.772 1.821 1.00 0.00 C ATOM 218 O VAL A 14 -13.774 -1.932 0.943 1.00 0.00 O ATOM 219 CB VAL A 14 -11.544 -2.738 3.311 1.00 0.00 C ATOM 220 CG1 VAL A 14 -10.749 -2.194 2.134 1.00 0.00 C ATOM 221 CG2 VAL A 14 -10.969 -2.223 4.621 1.00 0.00 C ATOM 0 H VAL A 14 -13.353 -3.638 4.821 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.120 -1.268 3.284 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.470 -3.825 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.702 -2.478 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.145 -2.606 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.829 -1.107 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.918 -2.503 4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.059 -1.137 4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.518 -2.659 5.456 1.00 0.00 H new ATOM 231 N ILE A 15 -13.812 -4.066 1.645 1.00 0.00 N ATOM 232 CA ILE A 15 -14.263 -4.581 0.362 1.00 0.00 C ATOM 233 C ILE A 15 -15.657 -4.060 0.024 1.00 0.00 C ATOM 234 O ILE A 15 -15.989 -3.897 -1.144 1.00 0.00 O ATOM 235 CB ILE A 15 -14.253 -6.132 0.309 1.00 0.00 C ATOM 236 CG1 ILE A 15 -14.435 -6.614 -1.136 1.00 0.00 C ATOM 237 CG2 ILE A 15 -15.340 -6.719 1.205 1.00 0.00 C ATOM 238 CD1 ILE A 15 -14.373 -8.120 -1.294 1.00 0.00 C ATOM 0 H ILE A 15 -13.705 -4.773 2.372 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.554 -4.220 -0.383 1.00 0.00 H new ATOM 0 HB ILE A 15 -13.288 -6.478 0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -15.396 -6.259 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -13.664 -6.161 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.310 -7.807 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -15.172 -6.404 2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -16.316 -6.365 0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.510 -8.382 -2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.403 -8.482 -0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -15.161 -8.581 -0.699 1.00 0.00 H new ATOM 250 N MET A 16 -16.464 -3.784 1.047 1.00 0.00 N ATOM 251 CA MET A 16 -17.800 -3.243 0.830 1.00 0.00 C ATOM 252 C MET A 16 -17.709 -1.887 0.138 1.00 0.00 C ATOM 253 O MET A 16 -18.372 -1.644 -0.873 1.00 0.00 O ATOM 254 CB MET A 16 -18.553 -3.123 2.161 1.00 0.00 C ATOM 255 CG MET A 16 -19.969 -2.569 2.042 1.00 0.00 C ATOM 256 SD MET A 16 -20.025 -0.765 1.928 1.00 0.00 S ATOM 257 CE MET A 16 -19.260 -0.302 3.481 1.00 0.00 C ATOM 0 H MET A 16 -16.217 -3.925 2.026 1.00 0.00 H new ATOM 0 HA MET A 16 -18.355 -3.925 0.186 1.00 0.00 H new ATOM 0 HB2 MET A 16 -18.600 -4.107 2.627 1.00 0.00 H new ATOM 0 HB3 MET A 16 -17.981 -2.481 2.830 1.00 0.00 H new ATOM 0 HG2 MET A 16 -20.446 -2.997 1.160 1.00 0.00 H new ATOM 0 HG3 MET A 16 -20.551 -2.890 2.906 1.00 0.00 H new ATOM 0 HE1 MET A 16 -19.798 0.541 3.914 1.00 0.00 H new ATOM 0 HE2 MET A 16 -19.294 -1.147 4.169 1.00 0.00 H new ATOM 0 HE3 MET A 16 -18.222 -0.019 3.305 1.00 0.00 H new ATOM 267 N ASP A 17 -16.861 -1.016 0.668 1.00 0.00 N ATOM 268 CA ASP A 17 -16.717 0.320 0.113 1.00 0.00 C ATOM 269 C ASP A 17 -15.957 0.279 -1.204 1.00 0.00 C ATOM 270 O ASP A 17 -16.250 1.041 -2.124 1.00 0.00 O ATOM 271 CB ASP A 17 -16.007 1.244 1.100 1.00 0.00 C ATOM 272 CG ASP A 17 -15.969 2.675 0.606 1.00 0.00 C ATOM 273 OD1 ASP A 17 -17.043 3.309 0.551 1.00 0.00 O ATOM 274 OD2 ASP A 17 -14.875 3.171 0.275 1.00 0.00 O ATOM 0 H ASP A 17 -16.268 -1.209 1.475 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.716 0.713 -0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -16.516 1.206 2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -14.989 0.889 1.262 1.00 0.00 H new ATOM 279 N HIS A 18 -14.995 -0.629 -1.307 1.00 0.00 N ATOM 280 CA HIS A 18 -14.209 -0.763 -2.524 1.00 0.00 C ATOM 281 C HIS A 18 -15.026 -1.433 -3.628 1.00 0.00 C ATOM 282 O HIS A 18 -14.684 -1.346 -4.805 1.00 0.00 O ATOM 283 CB HIS A 18 -12.923 -1.549 -2.259 1.00 0.00 C ATOM 284 CG HIS A 18 -11.989 -1.560 -3.429 1.00 0.00 C ATOM 285 ND1 HIS A 18 -11.640 -0.415 -4.115 1.00 0.00 N ATOM 286 CD2 HIS A 18 -11.343 -2.576 -4.048 1.00 0.00 C ATOM 287 CE1 HIS A 18 -10.823 -0.726 -5.099 1.00 0.00 C ATOM 288 NE2 HIS A 18 -10.629 -2.029 -5.082 1.00 0.00 N ATOM 0 H HIS A 18 -14.742 -1.281 -0.565 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.936 0.238 -2.858 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.412 -1.118 -1.398 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.179 -2.575 -1.997 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -11.383 -3.621 -3.778 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.386 -0.031 -5.801 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.041 -2.548 -5.734 1.00 0.00 H new ATOM 297 N TYR A 19 -16.089 -2.119 -3.243 1.00 0.00 N ATOM 298 CA TYR A 19 -17.017 -2.694 -4.206 1.00 0.00 C ATOM 299 C TYR A 19 -17.912 -1.592 -4.750 1.00 0.00 C ATOM 300 O TYR A 19 -18.341 -1.619 -5.903 1.00 0.00 O ATOM 301 CB TYR A 19 -17.861 -3.773 -3.536 1.00 0.00 C ATOM 302 CG TYR A 19 -18.646 -4.640 -4.496 1.00 0.00 C ATOM 303 CD1 TYR A 19 -18.003 -5.569 -5.305 1.00 0.00 C ATOM 304 CD2 TYR A 19 -20.030 -4.540 -4.585 1.00 0.00 C ATOM 305 CE1 TYR A 19 -18.714 -6.373 -6.175 1.00 0.00 C ATOM 306 CE2 TYR A 19 -20.748 -5.340 -5.455 1.00 0.00 C ATOM 307 CZ TYR A 19 -20.085 -6.255 -6.248 1.00 0.00 C ATOM 308 OH TYR A 19 -20.798 -7.061 -7.112 1.00 0.00 O ATOM 0 H TYR A 19 -16.332 -2.292 -2.268 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.460 -3.149 -5.025 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.207 -4.411 -2.941 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.556 -3.296 -2.845 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.928 -5.664 -5.253 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -20.552 -3.826 -3.965 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.198 -7.091 -6.795 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -21.823 -5.249 -5.514 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.753 -6.853 -7.041 1.00 0.00 H new ATOM 318 N LYS A 20 -18.190 -0.626 -3.887 1.00 0.00 N ATOM 319 CA LYS A 20 -18.943 0.554 -4.262 1.00 0.00 C ATOM 320 C LYS A 20 -18.065 1.483 -5.096 1.00 0.00 C ATOM 321 O LYS A 20 -18.547 2.163 -6.002 1.00 0.00 O ATOM 322 CB LYS A 20 -19.475 1.248 -2.993 1.00 0.00 C ATOM 323 CG LYS A 20 -19.255 2.752 -2.929 1.00 0.00 C ATOM 324 CD LYS A 20 -19.856 3.337 -1.660 1.00 0.00 C ATOM 325 CE LYS A 20 -19.453 4.788 -1.451 1.00 0.00 C ATOM 326 NZ LYS A 20 -17.987 4.941 -1.238 1.00 0.00 N ATOM 0 H LYS A 20 -17.899 -0.641 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 20 -19.800 0.274 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -20.544 1.051 -2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.001 0.792 -2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.187 2.969 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.705 3.226 -3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.943 3.267 -1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.536 2.745 -0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.755 5.375 -2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.987 5.191 -0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.815 5.677 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.588 4.039 -0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.533 5.214 -2.133 1.00 0.00 H new ATOM 340 N ASN A 21 -16.767 1.466 -4.809 1.00 0.00 N ATOM 341 CA ASN A 21 -15.808 2.299 -5.537 1.00 0.00 C ATOM 342 C ASN A 21 -14.617 1.474 -6.028 1.00 0.00 C ATOM 343 O ASN A 21 -13.585 1.391 -5.356 1.00 0.00 O ATOM 344 CB ASN A 21 -15.294 3.457 -4.669 1.00 0.00 C ATOM 345 CG ASN A 21 -16.352 4.500 -4.346 1.00 0.00 C ATOM 346 OD1 ASN A 21 -16.292 5.158 -3.309 1.00 0.00 O ATOM 347 ND2 ASN A 21 -17.335 4.658 -5.220 1.00 0.00 N ATOM 0 H ASN A 21 -16.353 0.886 -4.079 1.00 0.00 H new ATOM 0 HA ASN A 21 -16.339 2.709 -6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -14.900 3.052 -3.737 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -14.464 3.942 -5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -18.071 5.341 -5.042 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.356 4.096 -6.071 1.00 0.00 H new ATOM 354 N PRO A 22 -14.753 0.824 -7.193 1.00 0.00 N ATOM 355 CA PRO A 22 -13.671 0.079 -7.813 1.00 0.00 C ATOM 356 C PRO A 22 -12.853 0.950 -8.768 1.00 0.00 C ATOM 357 O PRO A 22 -13.404 1.777 -9.494 1.00 0.00 O ATOM 358 CB PRO A 22 -14.404 -1.029 -8.572 1.00 0.00 C ATOM 359 CG PRO A 22 -15.806 -0.531 -8.790 1.00 0.00 C ATOM 360 CD PRO A 22 -15.977 0.745 -7.996 1.00 0.00 C ATOM 0 HA PRO A 22 -12.950 -0.296 -7.087 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -13.914 -1.240 -9.522 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -14.405 -1.957 -8.001 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -15.985 -0.348 -9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.531 -1.280 -8.469 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -16.084 1.611 -8.649 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -16.866 0.709 -7.367 1.00 0.00 H new ATOM 368 N ARG A 23 -11.537 0.771 -8.763 1.00 0.00 N ATOM 369 CA ARG A 23 -10.669 1.568 -9.621 1.00 0.00 C ATOM 370 C ARG A 23 -9.478 0.736 -10.107 1.00 0.00 C ATOM 371 O ARG A 23 -8.476 1.269 -10.591 1.00 0.00 O ATOM 372 CB ARG A 23 -10.198 2.819 -8.867 1.00 0.00 C ATOM 373 CG ARG A 23 -9.565 3.876 -9.758 1.00 0.00 C ATOM 374 CD ARG A 23 -9.177 5.115 -8.967 1.00 0.00 C ATOM 375 NE ARG A 23 -10.340 5.788 -8.385 1.00 0.00 N ATOM 376 CZ ARG A 23 -10.424 7.106 -8.208 1.00 0.00 C ATOM 377 NH1 ARG A 23 -9.418 7.895 -8.573 1.00 0.00 N ATOM 378 NH2 ARG A 23 -11.511 7.638 -7.665 1.00 0.00 N ATOM 0 H ARG A 23 -11.052 0.088 -8.181 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.232 1.884 -10.499 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.049 3.259 -8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.477 2.522 -8.105 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.681 3.462 -10.243 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.263 4.152 -10.548 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.486 4.834 -8.172 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.647 5.809 -9.619 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.133 5.214 -8.098 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.579 7.492 -8.990 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.485 8.904 -8.436 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.286 7.038 -7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.572 8.647 -7.531 1.00 0.00 H new ATOM 392 N ASN A 24 -9.603 -0.581 -9.993 1.00 0.00 N ATOM 393 CA ASN A 24 -8.558 -1.494 -10.449 1.00 0.00 C ATOM 394 C ASN A 24 -8.721 -1.751 -11.941 1.00 0.00 C ATOM 395 O ASN A 24 -9.354 -2.725 -12.345 1.00 0.00 O ATOM 396 CB ASN A 24 -8.616 -2.824 -9.678 1.00 0.00 C ATOM 397 CG ASN A 24 -8.467 -2.650 -8.176 1.00 0.00 C ATOM 398 OD1 ASN A 24 -9.450 -2.447 -7.462 1.00 0.00 O ATOM 399 ND2 ASN A 24 -7.241 -2.726 -7.681 1.00 0.00 N ATOM 0 H ASN A 24 -10.418 -1.042 -9.589 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.588 -1.034 -10.261 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.565 -3.318 -9.888 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.827 -3.482 -10.041 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.088 -2.615 -6.679 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.450 -2.895 -8.302 1.00 0.00 H new ATOM 406 N LYS A 25 -8.183 -0.849 -12.755 1.00 0.00 N ATOM 407 CA LYS A 25 -8.396 -0.909 -14.199 1.00 0.00 C ATOM 408 C LYS A 25 -7.408 0.001 -14.944 1.00 0.00 C ATOM 409 O LYS A 25 -7.663 0.426 -16.072 1.00 0.00 O ATOM 410 CB LYS A 25 -9.847 -0.487 -14.495 1.00 0.00 C ATOM 411 CG LYS A 25 -10.288 -0.665 -15.939 1.00 0.00 C ATOM 412 CD LYS A 25 -10.289 -2.123 -16.358 1.00 0.00 C ATOM 413 CE LYS A 25 -10.717 -2.269 -17.808 1.00 0.00 C ATOM 414 NZ LYS A 25 -12.056 -1.667 -18.055 1.00 0.00 N ATOM 0 H LYS A 25 -7.600 -0.072 -12.444 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.224 -1.927 -14.548 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.515 -1.063 -13.854 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.967 0.561 -14.221 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.288 -0.251 -16.066 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.624 -0.100 -16.593 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.293 -2.545 -16.224 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.964 -2.690 -15.716 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.980 -1.792 -18.454 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.739 -3.325 -18.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.423 -2.001 -18.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.709 -1.949 -17.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.973 -0.631 -18.073 1.00 0.00 H new ATOM 428 N GLY A 26 -6.261 0.282 -14.342 1.00 0.00 N ATOM 429 CA GLY A 26 -5.343 1.217 -14.963 1.00 0.00 C ATOM 430 C GLY A 26 -3.884 0.857 -14.779 1.00 0.00 C ATOM 431 O GLY A 26 -3.459 0.485 -13.685 1.00 0.00 O ATOM 0 H GLY A 26 -5.953 -0.111 -13.453 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.562 1.272 -16.029 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.517 2.211 -14.550 1.00 0.00 H new ATOM 435 N VAL A 27 -3.121 0.974 -15.858 1.00 0.00 N ATOM 436 CA VAL A 27 -1.673 0.823 -15.810 1.00 0.00 C ATOM 437 C VAL A 27 -1.027 2.099 -16.339 1.00 0.00 C ATOM 438 O VAL A 27 -1.033 2.352 -17.544 1.00 0.00 O ATOM 439 CB VAL A 27 -1.184 -0.382 -16.648 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.326 -0.545 -16.532 1.00 0.00 C ATOM 441 CG2 VAL A 27 -1.891 -1.658 -16.224 1.00 0.00 C ATOM 0 H VAL A 27 -3.487 1.176 -16.788 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.387 0.641 -14.774 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.428 -0.186 -17.692 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.647 -1.398 -17.129 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.818 0.357 -16.895 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.595 -0.711 -15.489 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.531 -2.491 -16.827 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.685 -1.856 -15.172 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.965 -1.544 -16.368 1.00 0.00 H new ATOM 451 N LEU A 28 -0.503 2.908 -15.436 1.00 0.00 N ATOM 452 CA LEU A 28 0.011 4.224 -15.787 1.00 0.00 C ATOM 453 C LEU A 28 1.539 4.256 -15.786 1.00 0.00 C ATOM 454 O LEU A 28 2.168 4.442 -14.745 1.00 0.00 O ATOM 455 CB LEU A 28 -0.532 5.256 -14.801 1.00 0.00 C ATOM 456 CG LEU A 28 -0.070 6.692 -15.028 1.00 0.00 C ATOM 457 CD1 LEU A 28 -0.585 7.218 -16.357 1.00 0.00 C ATOM 458 CD2 LEU A 28 -0.531 7.575 -13.882 1.00 0.00 C ATOM 0 H LEU A 28 -0.421 2.676 -14.446 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.321 4.460 -16.798 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.621 5.233 -14.842 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.244 4.956 -13.793 1.00 0.00 H new ATOM 0 HG LEU A 28 1.019 6.708 -15.061 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.244 8.244 -16.499 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.206 6.594 -17.167 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.675 7.194 -16.360 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.196 8.598 -14.053 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.619 7.555 -13.822 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.109 7.207 -12.947 1.00 0.00 H new ATOM 470 N ASN A 29 2.138 4.081 -16.951 1.00 0.00 N ATOM 471 CA ASN A 29 3.585 4.130 -17.058 1.00 0.00 C ATOM 472 C ASN A 29 4.030 5.579 -17.197 1.00 0.00 C ATOM 473 O ASN A 29 4.075 6.126 -18.301 1.00 0.00 O ATOM 474 CB ASN A 29 4.069 3.306 -18.251 1.00 0.00 C ATOM 475 CG ASN A 29 5.556 2.997 -18.205 1.00 0.00 C ATOM 476 OD1 ASN A 29 6.354 3.748 -17.642 1.00 0.00 O ATOM 477 ND2 ASN A 29 5.937 1.886 -18.810 1.00 0.00 N ATOM 0 H ASN A 29 1.650 3.905 -17.829 1.00 0.00 H new ATOM 0 HA ASN A 29 4.023 3.702 -16.156 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.512 2.370 -18.287 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.846 3.846 -19.171 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.923 1.624 -18.822 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.245 1.290 -19.265 1.00 0.00 H new ATOM 484 N ASP A 30 4.308 6.207 -16.067 1.00 0.00 N ATOM 485 CA ASP A 30 4.717 7.607 -16.049 1.00 0.00 C ATOM 486 C ASP A 30 6.011 7.776 -15.268 1.00 0.00 C ATOM 487 O ASP A 30 7.064 8.060 -15.839 1.00 0.00 O ATOM 488 CB ASP A 30 3.617 8.479 -15.431 1.00 0.00 C ATOM 489 CG ASP A 30 4.034 9.931 -15.276 1.00 0.00 C ATOM 490 OD1 ASP A 30 3.840 10.719 -16.221 1.00 0.00 O ATOM 491 OD2 ASP A 30 4.535 10.301 -14.193 1.00 0.00 O ATOM 0 H ASP A 30 4.259 5.771 -15.146 1.00 0.00 H new ATOM 0 HA ASP A 30 4.884 7.926 -17.078 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.725 8.427 -16.055 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.347 8.077 -14.454 1.00 0.00 H new ATOM 496 N SER A 31 5.927 7.594 -13.962 1.00 0.00 N ATOM 497 CA SER A 31 7.083 7.743 -13.097 1.00 0.00 C ATOM 498 C SER A 31 7.280 6.505 -12.227 1.00 0.00 C ATOM 499 O SER A 31 8.377 5.943 -12.172 1.00 0.00 O ATOM 500 CB SER A 31 6.921 9.000 -12.242 1.00 0.00 C ATOM 501 OG SER A 31 5.551 9.239 -11.951 1.00 0.00 O ATOM 0 H SER A 31 5.066 7.342 -13.476 1.00 0.00 H new ATOM 0 HA SER A 31 7.976 7.849 -13.713 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.481 8.888 -11.313 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.341 9.858 -12.766 1.00 0.00 H new ATOM 0 HG SER A 31 5.169 9.827 -12.636 1.00 0.00 H new ATOM 507 N ILE A 32 6.221 6.084 -11.549 1.00 0.00 N ATOM 508 CA ILE A 32 6.271 4.884 -10.718 1.00 0.00 C ATOM 509 C ILE A 32 5.512 3.735 -11.370 1.00 0.00 C ATOM 510 O ILE A 32 4.360 3.891 -11.769 1.00 0.00 O ATOM 511 CB ILE A 32 5.683 5.144 -9.319 1.00 0.00 C ATOM 512 CG1 ILE A 32 6.461 6.258 -8.627 1.00 0.00 C ATOM 513 CG2 ILE A 32 5.699 3.873 -8.475 1.00 0.00 C ATOM 514 CD1 ILE A 32 5.902 6.624 -7.275 1.00 0.00 C ATOM 0 H ILE A 32 5.316 6.554 -11.557 1.00 0.00 H new ATOM 0 HA ILE A 32 7.322 4.612 -10.617 1.00 0.00 H new ATOM 0 HB ILE A 32 4.645 5.456 -9.432 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.500 5.949 -8.512 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.461 7.142 -9.264 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.278 4.084 -7.492 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.105 3.103 -8.966 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.725 3.523 -8.363 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.502 7.422 -6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.872 6.963 -7.387 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.928 5.751 -6.622 1.00 0.00 H new ATOM 526 N VAL A 33 6.164 2.583 -11.463 1.00 0.00 N ATOM 527 CA VAL A 33 5.564 1.400 -12.070 1.00 0.00 C ATOM 528 C VAL A 33 5.970 0.134 -11.316 1.00 0.00 C ATOM 529 O VAL A 33 6.908 -0.569 -11.696 1.00 0.00 O ATOM 530 CB VAL A 33 5.936 1.259 -13.566 1.00 0.00 C ATOM 531 CG1 VAL A 33 5.105 2.205 -14.422 1.00 0.00 C ATOM 532 CG2 VAL A 33 7.417 1.521 -13.784 1.00 0.00 C ATOM 0 H VAL A 33 7.115 2.442 -11.123 1.00 0.00 H new ATOM 0 HA VAL A 33 4.484 1.528 -12.003 1.00 0.00 H new ATOM 0 HB VAL A 33 5.718 0.235 -13.868 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.384 2.088 -15.469 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.047 1.972 -14.300 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.288 3.233 -14.110 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.653 1.416 -14.843 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.660 2.532 -13.457 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.002 0.803 -13.209 1.00 0.00 H new ATOM 542 N VAL A 34 5.266 -0.146 -10.234 1.00 0.00 N ATOM 543 CA VAL A 34 5.565 -1.309 -9.415 1.00 0.00 C ATOM 544 C VAL A 34 4.622 -2.455 -9.761 1.00 0.00 C ATOM 545 O VAL A 34 3.418 -2.253 -9.910 1.00 0.00 O ATOM 546 CB VAL A 34 5.448 -0.986 -7.908 1.00 0.00 C ATOM 547 CG1 VAL A 34 5.823 -2.193 -7.062 1.00 0.00 C ATOM 548 CG2 VAL A 34 6.314 0.209 -7.548 1.00 0.00 C ATOM 0 H VAL A 34 4.483 0.416 -9.901 1.00 0.00 H new ATOM 0 HA VAL A 34 6.593 -1.603 -9.626 1.00 0.00 H new ATOM 0 HB VAL A 34 4.409 -0.735 -7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.732 -1.939 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.155 -3.022 -7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.851 -2.484 -7.278 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.218 0.420 -6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.355 -0.013 -7.781 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.991 1.078 -8.121 1.00 0.00 H new ATOM 558 N ASP A 35 5.172 -3.648 -9.908 1.00 0.00 N ATOM 559 CA ASP A 35 4.368 -4.830 -10.169 1.00 0.00 C ATOM 560 C ASP A 35 4.724 -5.923 -9.177 1.00 0.00 C ATOM 561 O ASP A 35 5.871 -6.023 -8.734 1.00 0.00 O ATOM 562 CB ASP A 35 4.560 -5.334 -11.609 1.00 0.00 C ATOM 563 CG ASP A 35 5.940 -5.916 -11.869 1.00 0.00 C ATOM 564 OD1 ASP A 35 6.911 -5.134 -11.974 1.00 0.00 O ATOM 565 OD2 ASP A 35 6.058 -7.153 -11.999 1.00 0.00 O ATOM 0 H ASP A 35 6.175 -3.824 -9.851 1.00 0.00 H new ATOM 0 HA ASP A 35 3.319 -4.561 -10.050 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.808 -6.093 -11.823 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.386 -4.509 -12.300 1.00 0.00 H new ATOM 570 N MET A 36 3.740 -6.726 -8.815 1.00 0.00 N ATOM 571 CA MET A 36 3.930 -7.798 -7.880 1.00 0.00 C ATOM 572 C MET A 36 2.893 -8.855 -8.194 1.00 0.00 C ATOM 573 O MET A 36 1.824 -8.545 -8.725 1.00 0.00 O ATOM 574 CB MET A 36 3.780 -7.293 -6.440 1.00 0.00 C ATOM 575 CG MET A 36 4.779 -7.893 -5.457 1.00 0.00 C ATOM 576 SD MET A 36 4.601 -9.676 -5.254 1.00 0.00 S ATOM 577 CE MET A 36 5.841 -9.997 -4.001 1.00 0.00 C ATOM 0 H MET A 36 2.786 -6.645 -9.168 1.00 0.00 H new ATOM 0 HA MET A 36 4.934 -8.213 -7.968 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.889 -6.209 -6.435 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.770 -7.513 -6.094 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.790 -7.673 -5.798 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.658 -7.410 -4.487 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.854 -11.061 -3.766 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.820 -9.696 -4.373 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.604 -9.430 -3.101 1.00 0.00 H new ATOM 587 N ASN A 37 3.221 -10.081 -7.904 1.00 0.00 N ATOM 588 CA ASN A 37 2.357 -11.202 -8.235 1.00 0.00 C ATOM 589 C ASN A 37 2.547 -12.369 -7.274 1.00 0.00 C ATOM 590 O ASN A 37 3.647 -12.617 -6.780 1.00 0.00 O ATOM 591 CB ASN A 37 2.626 -11.666 -9.674 1.00 0.00 C ATOM 592 CG ASN A 37 4.049 -12.158 -9.878 1.00 0.00 C ATOM 593 OD1 ASN A 37 4.955 -11.373 -10.166 1.00 0.00 O ATOM 594 ND2 ASN A 37 4.253 -13.459 -9.745 1.00 0.00 N ATOM 0 H ASN A 37 4.088 -10.342 -7.434 1.00 0.00 H new ATOM 0 HA ASN A 37 1.326 -10.860 -8.144 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.930 -12.465 -9.929 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.430 -10.841 -10.359 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.187 -13.845 -9.882 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.476 -14.075 -9.506 1.00 0.00 H new ATOM 601 N ASN A 38 1.452 -13.064 -7.003 1.00 0.00 N ATOM 602 CA ASN A 38 1.485 -14.333 -6.291 1.00 0.00 C ATOM 603 C ASN A 38 0.792 -15.359 -7.176 1.00 0.00 C ATOM 604 O ASN A 38 -0.417 -15.268 -7.380 1.00 0.00 O ATOM 605 CB ASN A 38 0.785 -14.223 -4.923 1.00 0.00 C ATOM 606 CG ASN A 38 0.819 -15.518 -4.112 1.00 0.00 C ATOM 607 OD1 ASN A 38 0.922 -16.617 -4.657 1.00 0.00 O ATOM 608 ND2 ASN A 38 0.699 -15.396 -2.796 1.00 0.00 N ATOM 0 H ASN A 38 0.515 -12.764 -7.271 1.00 0.00 H new ATOM 0 HA ASN A 38 2.514 -14.630 -6.089 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.259 -13.430 -4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.253 -13.928 -5.078 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.690 -16.228 -2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.616 -14.471 -2.375 1.00 0.00 H new ATOM 615 N PRO A 39 1.565 -16.329 -7.704 1.00 0.00 N ATOM 616 CA PRO A 39 1.154 -17.281 -8.741 1.00 0.00 C ATOM 617 C PRO A 39 -0.357 -17.495 -8.885 1.00 0.00 C ATOM 618 O PRO A 39 -0.937 -17.142 -9.910 1.00 0.00 O ATOM 619 CB PRO A 39 1.852 -18.547 -8.269 1.00 0.00 C ATOM 620 CG PRO A 39 3.142 -18.068 -7.673 1.00 0.00 C ATOM 621 CD PRO A 39 2.953 -16.609 -7.304 1.00 0.00 C ATOM 0 HA PRO A 39 1.420 -16.932 -9.739 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.250 -19.081 -7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.029 -19.234 -9.096 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.401 -18.657 -6.793 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.960 -18.182 -8.384 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.105 -16.442 -6.238 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.659 -15.967 -7.831 1.00 0.00 H new ATOM 629 N THR A 40 -0.996 -18.048 -7.863 1.00 0.00 N ATOM 630 CA THR A 40 -2.421 -18.350 -7.945 1.00 0.00 C ATOM 631 C THR A 40 -3.180 -17.728 -6.769 1.00 0.00 C ATOM 632 O THR A 40 -4.271 -18.161 -6.407 1.00 0.00 O ATOM 633 CB THR A 40 -2.646 -19.877 -7.973 1.00 0.00 C ATOM 634 OG1 THR A 40 -1.646 -20.491 -8.797 1.00 0.00 O ATOM 635 CG2 THR A 40 -4.025 -20.222 -8.526 1.00 0.00 C ATOM 0 H THR A 40 -0.557 -18.295 -6.976 1.00 0.00 H new ATOM 0 HA THR A 40 -2.806 -17.919 -8.869 1.00 0.00 H new ATOM 0 HB THR A 40 -2.578 -20.249 -6.951 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.787 -21.461 -8.814 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.154 -21.304 -8.533 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.792 -19.769 -7.898 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.116 -19.839 -9.542 1.00 0.00 H new ATOM 643 N CYS A 41 -2.605 -16.685 -6.193 1.00 0.00 N ATOM 644 CA CYS A 41 -3.194 -16.052 -5.020 1.00 0.00 C ATOM 645 C CYS A 41 -3.304 -14.541 -5.220 1.00 0.00 C ATOM 646 O CYS A 41 -4.265 -13.909 -4.783 1.00 0.00 O ATOM 647 CB CYS A 41 -2.341 -16.375 -3.791 1.00 0.00 C ATOM 648 SG CYS A 41 -3.043 -15.853 -2.211 1.00 0.00 S ATOM 0 H CYS A 41 -1.736 -16.259 -6.515 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.201 -16.441 -4.870 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.173 -17.451 -3.758 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.366 -15.903 -3.911 1.00 0.00 H new ATOM 0 HG CYS A 41 -3.765 -14.786 -2.388 1.00 0.00 H new ATOM 654 N GLY A 42 -2.313 -13.976 -5.886 1.00 0.00 N ATOM 655 CA GLY A 42 -2.298 -12.556 -6.175 1.00 0.00 C ATOM 656 C GLY A 42 -1.760 -12.318 -7.561 1.00 0.00 C ATOM 657 O GLY A 42 -0.716 -11.692 -7.726 1.00 0.00 O ATOM 0 H GLY A 42 -1.503 -14.485 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.306 -12.149 -6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.682 -12.034 -5.442 1.00 0.00 H new ATOM 661 N ASP A 43 -2.482 -12.855 -8.537 1.00 0.00 N ATOM 662 CA ASP A 43 -2.066 -12.908 -9.943 1.00 0.00 C ATOM 663 C ASP A 43 -1.265 -11.694 -10.389 1.00 0.00 C ATOM 664 O ASP A 43 -0.174 -11.845 -10.929 1.00 0.00 O ATOM 665 CB ASP A 43 -3.289 -13.069 -10.845 1.00 0.00 C ATOM 666 CG ASP A 43 -3.955 -14.419 -10.683 1.00 0.00 C ATOM 667 OD1 ASP A 43 -4.805 -14.564 -9.777 1.00 0.00 O ATOM 668 OD2 ASP A 43 -3.631 -15.342 -11.463 1.00 0.00 O ATOM 0 H ASP A 43 -3.396 -13.277 -8.374 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.406 -13.771 -10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.009 -12.283 -10.619 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.989 -12.938 -11.885 1.00 0.00 H new ATOM 673 N ARG A 44 -1.794 -10.498 -10.177 1.00 0.00 N ATOM 674 CA ARG A 44 -1.105 -9.298 -10.621 1.00 0.00 C ATOM 675 C ARG A 44 -1.542 -8.083 -9.824 1.00 0.00 C ATOM 676 O ARG A 44 -2.707 -7.958 -9.468 1.00 0.00 O ATOM 677 CB ARG A 44 -1.381 -9.070 -12.111 1.00 0.00 C ATOM 678 CG ARG A 44 -2.857 -9.172 -12.468 1.00 0.00 C ATOM 679 CD ARG A 44 -3.113 -8.901 -13.939 1.00 0.00 C ATOM 680 NE ARG A 44 -4.532 -9.038 -14.276 1.00 0.00 N ATOM 681 CZ ARG A 44 -5.406 -8.032 -14.240 1.00 0.00 C ATOM 682 NH1 ARG A 44 -5.011 -6.826 -13.867 1.00 0.00 N ATOM 683 NH2 ARG A 44 -6.676 -8.238 -14.562 1.00 0.00 N ATOM 0 H ARG A 44 -2.685 -10.334 -9.707 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.036 -9.438 -10.460 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.012 -8.085 -12.396 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.821 -9.801 -12.694 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.222 -10.168 -12.215 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.424 -8.462 -11.866 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.775 -7.895 -14.188 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.527 -9.593 -14.544 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.872 -9.958 -14.555 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.038 -6.666 -13.607 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.680 -6.056 -13.839 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.987 -9.169 -14.839 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.341 -7.465 -14.533 1.00 0.00 H new ATOM 697 N ILE A 45 -0.600 -7.202 -9.523 1.00 0.00 N ATOM 698 CA ILE A 45 -0.933 -5.900 -8.971 1.00 0.00 C ATOM 699 C ILE A 45 -0.015 -4.832 -9.559 1.00 0.00 C ATOM 700 O ILE A 45 1.176 -4.767 -9.250 1.00 0.00 O ATOM 701 CB ILE A 45 -0.888 -5.876 -7.419 1.00 0.00 C ATOM 702 CG1 ILE A 45 -1.113 -4.451 -6.895 1.00 0.00 C ATOM 703 CG2 ILE A 45 0.422 -6.442 -6.893 1.00 0.00 C ATOM 704 CD1 ILE A 45 -1.107 -4.349 -5.385 1.00 0.00 C ATOM 0 H ILE A 45 0.399 -7.365 -9.652 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.964 -5.683 -9.252 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.694 -6.512 -7.052 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.338 -3.799 -7.297 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.067 -4.082 -7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.421 -6.410 -5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.532 -7.474 -7.226 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.253 -5.848 -7.272 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.272 -3.313 -5.090 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.900 -4.974 -4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.144 -4.687 -5.001 1.00 0.00 H new ATOM 716 N ARG A 46 -0.569 -4.036 -10.458 1.00 0.00 N ATOM 717 CA ARG A 46 0.170 -2.950 -11.080 1.00 0.00 C ATOM 718 C ARG A 46 -0.056 -1.666 -10.306 1.00 0.00 C ATOM 719 O ARG A 46 -1.156 -1.127 -10.310 1.00 0.00 O ATOM 720 CB ARG A 46 -0.278 -2.743 -12.532 1.00 0.00 C ATOM 721 CG ARG A 46 -0.165 -3.980 -13.406 1.00 0.00 C ATOM 722 CD ARG A 46 1.275 -4.424 -13.569 1.00 0.00 C ATOM 723 NE ARG A 46 1.392 -5.534 -14.510 1.00 0.00 N ATOM 724 CZ ARG A 46 2.400 -5.684 -15.365 1.00 0.00 C ATOM 725 NH1 ARG A 46 3.403 -4.816 -15.374 1.00 0.00 N ATOM 726 NH2 ARG A 46 2.405 -6.711 -16.202 1.00 0.00 N ATOM 0 H ARG A 46 -1.535 -4.123 -10.775 1.00 0.00 H new ATOM 0 HA ARG A 46 1.228 -3.211 -11.071 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.314 -2.404 -12.535 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.319 -1.945 -12.974 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.748 -4.790 -12.967 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.595 -3.773 -14.386 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.878 -3.585 -13.918 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.676 -4.723 -12.601 1.00 0.00 H new ATOM 0 HE ARG A 46 0.655 -6.239 -14.512 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.403 -4.030 -14.724 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.174 -4.934 -16.031 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.638 -7.383 -16.189 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.176 -6.830 -16.859 1.00 0.00 H new ATOM 740 N LEU A 47 0.977 -1.192 -9.640 1.00 0.00 N ATOM 741 CA LEU A 47 0.907 0.063 -8.919 1.00 0.00 C ATOM 742 C LEU A 47 1.649 1.126 -9.707 1.00 0.00 C ATOM 743 O LEU A 47 2.875 1.236 -9.624 1.00 0.00 O ATOM 744 CB LEU A 47 1.507 -0.079 -7.518 1.00 0.00 C ATOM 745 CG LEU A 47 1.425 1.176 -6.649 1.00 0.00 C ATOM 746 CD1 LEU A 47 -0.025 1.516 -6.335 1.00 0.00 C ATOM 747 CD2 LEU A 47 2.223 0.984 -5.370 1.00 0.00 C ATOM 0 H LEU A 47 1.881 -1.661 -9.583 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.137 0.353 -8.805 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.998 -0.893 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.554 -0.368 -7.615 1.00 0.00 H new ATOM 0 HG LEU A 47 1.856 2.011 -7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.063 2.412 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.566 1.694 -7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.486 0.686 -5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.156 1.885 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.820 0.138 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.267 0.790 -5.618 1.00 0.00 H new ATOM 759 N THR A 48 0.915 1.876 -10.509 1.00 0.00 N ATOM 760 CA THR A 48 1.517 2.836 -11.394 1.00 0.00 C ATOM 761 C THR A 48 1.100 4.252 -11.018 1.00 0.00 C ATOM 762 O THR A 48 -0.060 4.627 -11.159 1.00 0.00 O ATOM 763 CB THR A 48 1.127 2.511 -12.840 1.00 0.00 C ATOM 764 OG1 THR A 48 -0.273 2.208 -12.911 1.00 0.00 O ATOM 765 CG2 THR A 48 1.921 1.326 -13.362 1.00 0.00 C ATOM 0 H THR A 48 -0.103 1.833 -10.560 1.00 0.00 H new ATOM 0 HA THR A 48 2.602 2.779 -11.301 1.00 0.00 H new ATOM 0 HB THR A 48 1.350 3.383 -13.456 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.396 1.236 -12.939 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.626 1.115 -14.390 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.985 1.559 -13.330 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.722 0.453 -12.741 1.00 0.00 H new ATOM 773 N MET A 49 2.045 5.029 -10.520 1.00 0.00 N ATOM 774 CA MET A 49 1.741 6.348 -9.988 1.00 0.00 C ATOM 775 C MET A 49 2.276 7.448 -10.890 1.00 0.00 C ATOM 776 O MET A 49 3.163 7.215 -11.717 1.00 0.00 O ATOM 777 CB MET A 49 2.324 6.512 -8.582 1.00 0.00 C ATOM 778 CG MET A 49 1.708 5.584 -7.548 1.00 0.00 C ATOM 779 SD MET A 49 2.371 5.860 -5.896 1.00 0.00 S ATOM 780 CE MET A 49 1.448 4.655 -4.945 1.00 0.00 C ATOM 0 H MET A 49 3.031 4.770 -10.472 1.00 0.00 H new ATOM 0 HA MET A 49 0.656 6.436 -9.941 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.399 6.333 -8.622 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.184 7.544 -8.259 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.628 5.729 -7.532 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.887 4.549 -7.840 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.644 4.802 -3.883 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.382 4.778 -5.138 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.755 3.650 -5.235 1.00 0.00 H new ATOM 790 N LYS A 50 1.737 8.648 -10.715 1.00 0.00 N ATOM 791 CA LYS A 50 2.158 9.797 -11.486 1.00 0.00 C ATOM 792 C LYS A 50 2.546 10.914 -10.534 1.00 0.00 C ATOM 793 O LYS A 50 1.686 11.587 -9.965 1.00 0.00 O ATOM 794 CB LYS A 50 1.030 10.254 -12.424 1.00 0.00 C ATOM 795 CG LYS A 50 1.472 11.178 -13.557 1.00 0.00 C ATOM 796 CD LYS A 50 1.797 12.584 -13.071 1.00 0.00 C ATOM 797 CE LYS A 50 2.235 13.484 -14.214 1.00 0.00 C ATOM 798 NZ LYS A 50 3.552 13.085 -14.777 1.00 0.00 N ATOM 0 H LYS A 50 1.001 8.845 -10.037 1.00 0.00 H new ATOM 0 HA LYS A 50 3.018 9.530 -12.100 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.557 9.372 -12.857 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.270 10.765 -11.833 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.349 10.754 -14.045 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.683 11.230 -14.308 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.921 13.013 -12.585 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.587 12.537 -12.321 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.483 13.457 -15.002 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.291 14.514 -13.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.988 13.901 -15.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.173 12.759 -14.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.417 12.316 -15.464 1.00 0.00 H new ATOM 812 N LEU A 51 3.835 11.071 -10.327 1.00 0.00 N ATOM 813 CA LEU A 51 4.342 12.169 -9.536 1.00 0.00 C ATOM 814 C LEU A 51 4.852 13.270 -10.457 1.00 0.00 C ATOM 815 O LEU A 51 5.868 13.117 -11.129 1.00 0.00 O ATOM 816 CB LEU A 51 5.434 11.689 -8.559 1.00 0.00 C ATOM 817 CG LEU A 51 6.698 11.083 -9.176 1.00 0.00 C ATOM 818 CD1 LEU A 51 7.846 12.081 -9.134 1.00 0.00 C ATOM 819 CD2 LEU A 51 7.084 9.812 -8.445 1.00 0.00 C ATOM 0 H LEU A 51 4.553 10.449 -10.698 1.00 0.00 H new ATOM 0 HA LEU A 51 3.533 12.576 -8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.731 12.535 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.992 10.947 -7.894 1.00 0.00 H new ATOM 0 HG LEU A 51 6.488 10.840 -10.218 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.735 11.632 -9.577 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.572 12.974 -9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.054 12.353 -8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.984 9.393 -8.895 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.274 10.039 -7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.271 9.089 -8.518 1.00 0.00 H new ATOM 831 N ASP A 52 4.119 14.368 -10.517 1.00 0.00 N ATOM 832 CA ASP A 52 4.518 15.493 -11.355 1.00 0.00 C ATOM 833 C ASP A 52 5.180 16.551 -10.491 1.00 0.00 C ATOM 834 O ASP A 52 4.638 17.630 -10.260 1.00 0.00 O ATOM 835 CB ASP A 52 3.310 16.070 -12.099 1.00 0.00 C ATOM 836 CG ASP A 52 3.684 17.183 -13.059 1.00 0.00 C ATOM 837 OD1 ASP A 52 4.333 16.894 -14.084 1.00 0.00 O ATOM 838 OD2 ASP A 52 3.300 18.345 -12.806 1.00 0.00 O ATOM 0 H ASP A 52 3.250 14.508 -10.001 1.00 0.00 H new ATOM 0 HA ASP A 52 5.231 15.149 -12.104 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.815 15.272 -12.652 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.590 16.449 -11.374 1.00 0.00 H new ATOM 843 N GLY A 53 6.324 16.183 -9.949 1.00 0.00 N ATOM 844 CA GLY A 53 7.052 17.067 -9.079 1.00 0.00 C ATOM 845 C GLY A 53 7.690 16.301 -7.948 1.00 0.00 C ATOM 846 O GLY A 53 8.710 15.633 -8.119 1.00 0.00 O ATOM 0 H GLY A 53 6.765 15.276 -10.100 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.820 17.592 -9.647 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.379 17.824 -8.677 1.00 0.00 H new ATOM 850 N ASP A 54 7.047 16.379 -6.796 1.00 0.00 N ATOM 851 CA ASP A 54 7.496 15.684 -5.596 1.00 0.00 C ATOM 852 C ASP A 54 6.296 15.176 -4.816 1.00 0.00 C ATOM 853 O ASP A 54 6.372 15.005 -3.607 1.00 0.00 O ATOM 854 CB ASP A 54 8.312 16.617 -4.691 1.00 0.00 C ATOM 855 CG ASP A 54 9.679 16.953 -5.249 1.00 0.00 C ATOM 856 OD1 ASP A 54 10.640 16.210 -4.968 1.00 0.00 O ATOM 857 OD2 ASP A 54 9.804 17.976 -5.957 1.00 0.00 O ATOM 0 H ASP A 54 6.197 16.927 -6.663 1.00 0.00 H new ATOM 0 HA ASP A 54 8.125 14.850 -5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.754 17.540 -4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.432 16.150 -3.714 1.00 0.00 H new ATOM 862 N ILE A 55 5.205 14.886 -5.517 1.00 0.00 N ATOM 863 CA ILE A 55 3.944 14.598 -4.890 1.00 0.00 C ATOM 864 C ILE A 55 3.335 13.352 -5.491 1.00 0.00 C ATOM 865 O ILE A 55 3.596 13.007 -6.640 1.00 0.00 O ATOM 866 CB ILE A 55 2.951 15.781 -5.036 1.00 0.00 C ATOM 867 CG1 ILE A 55 3.069 16.463 -6.417 1.00 0.00 C ATOM 868 CG2 ILE A 55 3.179 16.796 -3.927 1.00 0.00 C ATOM 869 CD1 ILE A 55 2.609 15.619 -7.591 1.00 0.00 C ATOM 0 H ILE A 55 5.182 14.847 -6.536 1.00 0.00 H new ATOM 0 HA ILE A 55 4.134 14.439 -3.828 1.00 0.00 H new ATOM 0 HB ILE A 55 1.942 15.377 -4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.487 17.384 -6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.109 16.746 -6.578 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.477 17.622 -4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.025 16.318 -2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.199 17.176 -3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.731 16.184 -8.515 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.206 14.709 -7.641 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.559 15.357 -7.462 1.00 0.00 H new ATOM 881 N VAL A 56 2.558 12.673 -4.703 1.00 0.00 N ATOM 882 CA VAL A 56 1.788 11.545 -5.192 1.00 0.00 C ATOM 883 C VAL A 56 0.467 12.054 -5.754 1.00 0.00 C ATOM 884 O VAL A 56 -0.479 12.305 -5.010 1.00 0.00 O ATOM 885 CB VAL A 56 1.519 10.504 -4.084 1.00 0.00 C ATOM 886 CG1 VAL A 56 0.849 9.267 -4.665 1.00 0.00 C ATOM 887 CG2 VAL A 56 2.809 10.132 -3.367 1.00 0.00 C ATOM 0 H VAL A 56 2.433 12.874 -3.711 1.00 0.00 H new ATOM 0 HA VAL A 56 2.368 11.049 -5.970 1.00 0.00 H new ATOM 0 HB VAL A 56 0.843 10.949 -3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.667 8.544 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.099 9.548 -5.124 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.498 8.821 -5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.595 9.397 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.514 9.709 -4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.243 11.023 -2.914 1.00 0.00 H new ATOM 897 N GLU A 57 0.415 12.250 -7.064 1.00 0.00 N ATOM 898 CA GLU A 57 -0.774 12.812 -7.677 1.00 0.00 C ATOM 899 C GLU A 57 -1.704 11.692 -8.100 1.00 0.00 C ATOM 900 O GLU A 57 -2.750 11.482 -7.486 1.00 0.00 O ATOM 901 CB GLU A 57 -0.406 13.702 -8.873 1.00 0.00 C ATOM 902 CG GLU A 57 -1.492 14.700 -9.272 1.00 0.00 C ATOM 903 CD GLU A 57 -2.741 14.045 -9.833 1.00 0.00 C ATOM 904 OE1 GLU A 57 -2.724 13.637 -11.012 1.00 0.00 O ATOM 905 OE2 GLU A 57 -3.748 13.951 -9.104 1.00 0.00 O ATOM 0 H GLU A 57 1.171 12.031 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.286 13.440 -6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.506 14.250 -8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.182 13.066 -9.729 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.764 15.296 -8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.087 15.387 -10.015 1.00 0.00 H new ATOM 912 N ASP A 58 -1.313 10.943 -9.117 1.00 0.00 N ATOM 913 CA ASP A 58 -2.186 9.908 -9.638 1.00 0.00 C ATOM 914 C ASP A 58 -1.600 8.538 -9.357 1.00 0.00 C ATOM 915 O ASP A 58 -0.402 8.405 -9.106 1.00 0.00 O ATOM 916 CB ASP A 58 -2.427 10.097 -11.139 1.00 0.00 C ATOM 917 CG ASP A 58 -3.474 9.141 -11.685 1.00 0.00 C ATOM 918 OD1 ASP A 58 -4.393 8.752 -10.927 1.00 0.00 O ATOM 919 OD2 ASP A 58 -3.395 8.781 -12.877 1.00 0.00 O ATOM 0 H ASP A 58 -0.414 11.030 -9.590 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.149 9.985 -9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.744 11.123 -11.327 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.490 9.949 -11.676 1.00 0.00 H new ATOM 924 N ALA A 59 -2.456 7.535 -9.380 1.00 0.00 N ATOM 925 CA ALA A 59 -2.056 6.165 -9.142 1.00 0.00 C ATOM 926 C ALA A 59 -3.073 5.223 -9.757 1.00 0.00 C ATOM 927 O ALA A 59 -4.282 5.404 -9.590 1.00 0.00 O ATOM 928 CB ALA A 59 -1.917 5.899 -7.652 1.00 0.00 C ATOM 0 H ALA A 59 -3.452 7.650 -9.565 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.085 5.994 -9.607 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.616 4.864 -7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.163 6.565 -7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.873 6.078 -7.160 1.00 0.00 H new ATOM 934 N LYS A 60 -2.586 4.236 -10.479 1.00 0.00 N ATOM 935 CA LYS A 60 -3.444 3.286 -11.146 1.00 0.00 C ATOM 936 C LYS A 60 -3.072 1.886 -10.696 1.00 0.00 C ATOM 937 O LYS A 60 -1.927 1.463 -10.853 1.00 0.00 O ATOM 938 CB LYS A 60 -3.305 3.423 -12.665 1.00 0.00 C ATOM 939 CG LYS A 60 -3.843 4.728 -13.235 1.00 0.00 C ATOM 940 CD LYS A 60 -5.361 4.792 -13.160 1.00 0.00 C ATOM 941 CE LYS A 60 -5.910 5.960 -13.969 1.00 0.00 C ATOM 942 NZ LYS A 60 -5.551 7.279 -13.386 1.00 0.00 N ATOM 0 H LYS A 60 -1.589 4.072 -10.618 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.484 3.482 -10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.252 3.333 -12.930 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.826 2.592 -13.141 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.416 5.568 -12.687 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.525 4.830 -14.273 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.785 3.859 -13.532 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.671 4.890 -12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.529 5.902 -14.988 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.995 5.877 -14.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.920 8.039 -13.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.965 7.363 -12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.516 7.360 -13.321 1.00 0.00 H new ATOM 956 N PHE A 61 -4.027 1.188 -10.109 1.00 0.00 N ATOM 957 CA PHE A 61 -3.772 -0.130 -9.559 1.00 0.00 C ATOM 958 C PHE A 61 -4.571 -1.202 -10.289 1.00 0.00 C ATOM 959 O PHE A 61 -5.637 -1.618 -9.846 1.00 0.00 O ATOM 960 CB PHE A 61 -4.056 -0.154 -8.049 1.00 0.00 C ATOM 961 CG PHE A 61 -5.113 0.824 -7.607 1.00 0.00 C ATOM 962 CD1 PHE A 61 -6.456 0.494 -7.662 1.00 0.00 C ATOM 963 CD2 PHE A 61 -4.753 2.077 -7.134 1.00 0.00 C ATOM 964 CE1 PHE A 61 -7.421 1.394 -7.256 1.00 0.00 C ATOM 965 CE2 PHE A 61 -5.714 2.981 -6.727 1.00 0.00 C ATOM 966 CZ PHE A 61 -7.050 2.639 -6.787 1.00 0.00 C ATOM 0 H PHE A 61 -4.988 1.513 -10.001 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.716 -0.356 -9.707 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.365 -1.160 -7.764 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.131 0.060 -7.513 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.752 -0.478 -8.027 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.709 2.349 -7.083 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.466 1.125 -7.305 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.421 3.954 -6.362 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.804 3.344 -6.468 1.00 0.00 H new ATOM 976 N GLU A 62 -4.050 -1.618 -11.433 1.00 0.00 N ATOM 977 CA GLU A 62 -4.647 -2.688 -12.219 1.00 0.00 C ATOM 978 C GLU A 62 -4.140 -4.034 -11.716 1.00 0.00 C ATOM 979 O GLU A 62 -2.943 -4.312 -11.776 1.00 0.00 O ATOM 980 CB GLU A 62 -4.288 -2.502 -13.699 1.00 0.00 C ATOM 981 CG GLU A 62 -4.648 -3.677 -14.595 1.00 0.00 C ATOM 982 CD GLU A 62 -6.137 -3.933 -14.674 1.00 0.00 C ATOM 983 OE1 GLU A 62 -6.794 -3.349 -15.553 1.00 0.00 O ATOM 984 OE2 GLU A 62 -6.642 -4.742 -13.868 1.00 0.00 O ATOM 0 H GLU A 62 -3.203 -1.224 -11.843 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.732 -2.658 -12.114 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.793 -1.611 -14.072 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.217 -2.318 -13.778 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.264 -3.491 -15.598 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.151 -4.574 -14.224 1.00 0.00 H new ATOM 991 N GLY A 63 -5.029 -4.871 -11.216 1.00 0.00 N ATOM 992 CA GLY A 63 -4.587 -6.136 -10.692 1.00 0.00 C ATOM 993 C GLY A 63 -5.716 -7.036 -10.255 1.00 0.00 C ATOM 994 O GLY A 63 -6.834 -6.580 -10.016 1.00 0.00 O ATOM 0 H GLY A 63 -6.033 -4.700 -11.164 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.998 -6.649 -11.452 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.926 -5.958 -9.844 1.00 0.00 H new ATOM 998 N GLU A 64 -5.405 -8.319 -10.141 1.00 0.00 N ATOM 999 CA GLU A 64 -6.346 -9.304 -9.656 1.00 0.00 C ATOM 1000 C GLU A 64 -5.649 -10.204 -8.655 1.00 0.00 C ATOM 1001 O GLU A 64 -4.420 -10.238 -8.590 1.00 0.00 O ATOM 1002 CB GLU A 64 -6.938 -10.133 -10.795 1.00 0.00 C ATOM 1003 CG GLU A 64 -7.949 -9.376 -11.638 1.00 0.00 C ATOM 1004 CD GLU A 64 -8.699 -10.283 -12.584 1.00 0.00 C ATOM 1005 OE1 GLU A 64 -9.648 -10.960 -12.134 1.00 0.00 O ATOM 1006 OE2 GLU A 64 -8.342 -10.332 -13.780 1.00 0.00 O ATOM 0 H GLU A 64 -4.491 -8.701 -10.384 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.174 -8.783 -9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.129 -10.481 -11.438 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.417 -11.019 -10.377 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.659 -8.870 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.436 -8.603 -12.210 1.00 0.00 H new ATOM 1013 N GLY A 65 -6.429 -10.939 -7.892 1.00 0.00 N ATOM 1014 CA GLY A 65 -5.883 -11.687 -6.791 1.00 0.00 C ATOM 1015 C GLY A 65 -6.885 -11.827 -5.676 1.00 0.00 C ATOM 1016 O GLY A 65 -8.038 -12.190 -5.909 1.00 0.00 O ATOM 0 H GLY A 65 -7.437 -11.032 -8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.578 -12.675 -7.135 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.988 -11.189 -6.418 1.00 0.00 H new ATOM 1020 N CYS A 66 -6.458 -11.518 -4.466 1.00 0.00 N ATOM 1021 CA CYS A 66 -7.294 -11.698 -3.299 1.00 0.00 C ATOM 1022 C CYS A 66 -8.263 -10.539 -3.146 1.00 0.00 C ATOM 1023 O CYS A 66 -8.032 -9.445 -3.672 1.00 0.00 O ATOM 1024 CB CYS A 66 -6.426 -11.795 -2.053 1.00 0.00 C ATOM 1025 SG CYS A 66 -5.087 -12.994 -2.186 1.00 0.00 S ATOM 0 H CYS A 66 -5.532 -11.139 -4.268 1.00 0.00 H new ATOM 0 HA CYS A 66 -7.864 -12.619 -3.425 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.002 -10.814 -1.841 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -7.055 -12.061 -1.204 1.00 0.00 H new ATOM 0 HG CYS A 66 -4.919 -13.320 -3.433 1.00 0.00 H new ATOM 1031 N SER A 67 -9.328 -10.781 -2.403 1.00 0.00 N ATOM 1032 CA SER A 67 -10.321 -9.765 -2.124 1.00 0.00 C ATOM 1033 C SER A 67 -9.706 -8.595 -1.357 1.00 0.00 C ATOM 1034 O SER A 67 -10.097 -7.443 -1.544 1.00 0.00 O ATOM 1035 CB SER A 67 -11.461 -10.393 -1.325 1.00 0.00 C ATOM 1036 OG SER A 67 -10.945 -11.237 -0.306 1.00 0.00 O ATOM 0 H SER A 67 -9.527 -11.687 -1.978 1.00 0.00 H new ATOM 0 HA SER A 67 -10.707 -9.372 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.076 -9.611 -0.881 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.106 -10.967 -1.990 1.00 0.00 H new ATOM 0 HG SER A 67 -11.687 -11.631 0.199 1.00 0.00 H new ATOM 1042 N ILE A 68 -8.721 -8.890 -0.513 1.00 0.00 N ATOM 1043 CA ILE A 68 -8.124 -7.859 0.327 1.00 0.00 C ATOM 1044 C ILE A 68 -6.932 -7.194 -0.357 1.00 0.00 C ATOM 1045 O ILE A 68 -6.620 -6.050 -0.065 1.00 0.00 O ATOM 1046 CB ILE A 68 -7.707 -8.388 1.735 1.00 0.00 C ATOM 1047 CG1 ILE A 68 -6.220 -8.803 1.810 1.00 0.00 C ATOM 1048 CG2 ILE A 68 -8.600 -9.549 2.156 1.00 0.00 C ATOM 1049 CD1 ILE A 68 -5.834 -9.985 0.944 1.00 0.00 C ATOM 0 H ILE A 68 -8.324 -9.822 -0.394 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.904 -7.113 0.476 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.838 -7.557 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.606 -7.949 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.977 -9.038 2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.294 -9.905 3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.637 -9.214 2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.508 -10.359 1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.772 -10.196 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.414 -10.859 1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.038 -9.752 -0.101 1.00 0.00 H new ATOM 1061 N SER A 69 -6.294 -7.891 -1.292 1.00 0.00 N ATOM 1062 CA SER A 69 -5.071 -7.381 -1.904 1.00 0.00 C ATOM 1063 C SER A 69 -5.386 -6.295 -2.926 1.00 0.00 C ATOM 1064 O SER A 69 -4.687 -5.289 -3.018 1.00 0.00 O ATOM 1065 CB SER A 69 -4.284 -8.523 -2.545 1.00 0.00 C ATOM 1066 OG SER A 69 -5.098 -9.279 -3.422 1.00 0.00 O ATOM 0 H SER A 69 -6.599 -8.800 -1.640 1.00 0.00 H new ATOM 0 HA SER A 69 -4.455 -6.934 -1.124 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.433 -8.118 -3.093 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.883 -9.173 -1.767 1.00 0.00 H new ATOM 0 HG SER A 69 -4.644 -9.380 -4.285 1.00 0.00 H new ATOM 1072 N MET A 70 -6.446 -6.501 -3.693 1.00 0.00 N ATOM 1073 CA MET A 70 -6.906 -5.472 -4.618 1.00 0.00 C ATOM 1074 C MET A 70 -7.548 -4.319 -3.851 1.00 0.00 C ATOM 1075 O MET A 70 -7.720 -3.222 -4.384 1.00 0.00 O ATOM 1076 CB MET A 70 -7.887 -6.048 -5.645 1.00 0.00 C ATOM 1077 CG MET A 70 -9.109 -6.711 -5.034 1.00 0.00 C ATOM 1078 SD MET A 70 -10.247 -7.355 -6.280 1.00 0.00 S ATOM 1079 CE MET A 70 -9.154 -8.414 -7.228 1.00 0.00 C ATOM 0 H MET A 70 -6.999 -7.358 -3.696 1.00 0.00 H new ATOM 0 HA MET A 70 -6.040 -5.093 -5.160 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.215 -5.246 -6.307 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.363 -6.777 -6.263 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.789 -7.526 -4.384 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.633 -5.990 -4.407 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.713 -9.272 -7.601 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.744 -7.854 -8.069 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.340 -8.760 -6.591 1.00 0.00 H new ATOM 1089 N ALA A 71 -7.900 -4.582 -2.597 1.00 0.00 N ATOM 1090 CA ALA A 71 -8.484 -3.570 -1.728 1.00 0.00 C ATOM 1091 C ALA A 71 -7.400 -2.760 -1.021 1.00 0.00 C ATOM 1092 O ALA A 71 -7.457 -1.530 -0.988 1.00 0.00 O ATOM 1093 CB ALA A 71 -9.409 -4.226 -0.714 1.00 0.00 C ATOM 0 H ALA A 71 -7.789 -5.496 -2.158 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.065 -2.882 -2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.841 -3.462 -0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.207 -4.753 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.842 -4.934 -0.109 1.00 0.00 H new ATOM 1099 N SER A 72 -6.411 -3.459 -0.468 1.00 0.00 N ATOM 1100 CA SER A 72 -5.332 -2.825 0.276 1.00 0.00 C ATOM 1101 C SER A 72 -4.594 -1.817 -0.593 1.00 0.00 C ATOM 1102 O SER A 72 -4.307 -0.707 -0.157 1.00 0.00 O ATOM 1103 CB SER A 72 -4.365 -3.892 0.801 1.00 0.00 C ATOM 1104 OG SER A 72 -4.005 -4.800 -0.227 1.00 0.00 O ATOM 0 H SER A 72 -6.338 -4.475 -0.524 1.00 0.00 H new ATOM 0 HA SER A 72 -5.761 -2.288 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.470 -3.413 1.198 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.829 -4.435 1.625 1.00 0.00 H new ATOM 0 HG SER A 72 -3.068 -5.065 -0.116 1.00 0.00 H new ATOM 1110 N ALA A 73 -4.310 -2.211 -1.827 1.00 0.00 N ATOM 1111 CA ALA A 73 -3.666 -1.335 -2.797 1.00 0.00 C ATOM 1112 C ALA A 73 -4.382 0.008 -2.890 1.00 0.00 C ATOM 1113 O ALA A 73 -3.760 1.059 -2.755 1.00 0.00 O ATOM 1114 CB ALA A 73 -3.624 -2.006 -4.160 1.00 0.00 C ATOM 0 H ALA A 73 -4.519 -3.144 -2.183 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.646 -1.148 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.141 -1.343 -4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.061 -2.937 -4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.640 -2.220 -4.491 1.00 0.00 H new ATOM 1120 N SER A 74 -5.691 -0.029 -3.094 1.00 0.00 N ATOM 1121 CA SER A 74 -6.468 1.194 -3.232 1.00 0.00 C ATOM 1122 C SER A 74 -6.583 1.942 -1.904 1.00 0.00 C ATOM 1123 O SER A 74 -6.715 3.163 -1.881 1.00 0.00 O ATOM 1124 CB SER A 74 -7.854 0.875 -3.793 1.00 0.00 C ATOM 1125 OG SER A 74 -8.448 -0.220 -3.117 1.00 0.00 O ATOM 0 H SER A 74 -6.235 -0.889 -3.167 1.00 0.00 H new ATOM 0 HA SER A 74 -5.944 1.848 -3.929 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.495 1.752 -3.702 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.774 0.648 -4.856 1.00 0.00 H new ATOM 0 HG SER A 74 -7.966 -0.389 -2.281 1.00 0.00 H new ATOM 1131 N MET A 75 -6.507 1.209 -0.801 1.00 0.00 N ATOM 1132 CA MET A 75 -6.667 1.808 0.519 1.00 0.00 C ATOM 1133 C MET A 75 -5.380 2.503 0.943 1.00 0.00 C ATOM 1134 O MET A 75 -5.389 3.669 1.348 1.00 0.00 O ATOM 1135 CB MET A 75 -7.055 0.736 1.541 1.00 0.00 C ATOM 1136 CG MET A 75 -7.309 1.277 2.937 1.00 0.00 C ATOM 1137 SD MET A 75 -7.805 -0.010 4.096 1.00 0.00 S ATOM 1138 CE MET A 75 -8.058 0.951 5.583 1.00 0.00 C ATOM 0 H MET A 75 -6.336 0.203 -0.793 1.00 0.00 H new ATOM 0 HA MET A 75 -7.463 2.551 0.473 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.952 0.224 1.192 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.261 -0.009 1.590 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.406 1.764 3.304 1.00 0.00 H new ATOM 0 HG3 MET A 75 -8.086 2.040 2.892 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.826 0.340 6.455 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.405 1.824 5.567 1.00 0.00 H new ATOM 0 HE3 MET A 75 -9.097 1.276 5.634 1.00 0.00 H new ATOM 1148 N MET A 76 -4.269 1.791 0.814 1.00 0.00 N ATOM 1149 CA MET A 76 -2.972 2.327 1.192 1.00 0.00 C ATOM 1150 C MET A 76 -2.622 3.525 0.316 1.00 0.00 C ATOM 1151 O MET A 76 -2.100 4.529 0.794 1.00 0.00 O ATOM 1152 CB MET A 76 -1.884 1.257 1.051 1.00 0.00 C ATOM 1153 CG MET A 76 -2.124 -0.008 1.862 1.00 0.00 C ATOM 1154 SD MET A 76 -2.213 0.286 3.635 1.00 0.00 S ATOM 1155 CE MET A 76 -0.599 0.993 3.959 1.00 0.00 C ATOM 0 H MET A 76 -4.242 0.839 0.449 1.00 0.00 H new ATOM 0 HA MET A 76 -3.025 2.643 2.234 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.795 0.986 -0.001 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.929 1.688 1.351 1.00 0.00 H new ATOM 0 HG2 MET A 76 -3.053 -0.472 1.531 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.323 -0.719 1.659 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.382 0.931 5.025 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.158 0.441 3.402 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.590 2.037 3.647 1.00 0.00 H new ATOM 1165 N THR A 77 -2.944 3.418 -0.966 1.00 0.00 N ATOM 1166 CA THR A 77 -2.612 4.458 -1.927 1.00 0.00 C ATOM 1167 C THR A 77 -3.534 5.672 -1.779 1.00 0.00 C ATOM 1168 O THR A 77 -3.183 6.783 -2.177 1.00 0.00 O ATOM 1169 CB THR A 77 -2.688 3.914 -3.367 1.00 0.00 C ATOM 1170 OG1 THR A 77 -1.885 2.734 -3.474 1.00 0.00 O ATOM 1171 CG2 THR A 77 -2.203 4.942 -4.376 1.00 0.00 C ATOM 0 H THR A 77 -3.436 2.618 -1.364 1.00 0.00 H new ATOM 0 HA THR A 77 -1.590 4.778 -1.721 1.00 0.00 H new ATOM 0 HB THR A 77 -3.731 3.684 -3.587 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.465 1.954 -3.600 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.270 4.525 -5.381 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.823 5.836 -4.312 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.167 5.203 -4.160 1.00 0.00 H new ATOM 1179 N GLN A 78 -4.698 5.467 -1.177 1.00 0.00 N ATOM 1180 CA GLN A 78 -5.641 6.559 -0.984 1.00 0.00 C ATOM 1181 C GLN A 78 -5.076 7.536 0.031 1.00 0.00 C ATOM 1182 O GLN A 78 -5.153 8.751 -0.145 1.00 0.00 O ATOM 1183 CB GLN A 78 -7.005 6.041 -0.524 1.00 0.00 C ATOM 1184 CG GLN A 78 -8.086 7.109 -0.541 1.00 0.00 C ATOM 1185 CD GLN A 78 -9.448 6.588 -0.122 1.00 0.00 C ATOM 1186 OE1 GLN A 78 -9.469 5.648 0.808 1.00 0.00 O flip ATOM 1187 NE2 GLN A 78 -10.475 7.053 -0.614 1.00 0.00 N flip ATOM 0 H GLN A 78 -5.009 4.565 -0.818 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.787 7.066 -1.938 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -7.309 5.215 -1.167 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.913 5.642 0.486 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.795 7.922 0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.158 7.528 -1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.415 7.778 -1.329 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.387 6.714 -0.307 1.00 0.00 H new ATOM 1196 N ALA A 79 -4.476 6.993 1.081 1.00 0.00 N ATOM 1197 CA ALA A 79 -3.840 7.811 2.099 1.00 0.00 C ATOM 1198 C ALA A 79 -2.461 8.260 1.631 1.00 0.00 C ATOM 1199 O ALA A 79 -1.963 9.310 2.034 1.00 0.00 O ATOM 1200 CB ALA A 79 -3.735 7.044 3.409 1.00 0.00 C ATOM 0 H ALA A 79 -4.417 5.989 1.248 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.454 8.696 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.256 7.672 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.733 6.767 3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.141 6.143 3.256 1.00 0.00 H new ATOM 1206 N ILE A 80 -1.862 7.461 0.755 1.00 0.00 N ATOM 1207 CA ILE A 80 -0.526 7.745 0.242 1.00 0.00 C ATOM 1208 C ILE A 80 -0.561 8.926 -0.733 1.00 0.00 C ATOM 1209 O ILE A 80 0.385 9.708 -0.817 1.00 0.00 O ATOM 1210 CB ILE A 80 0.082 6.480 -0.429 1.00 0.00 C ATOM 1211 CG1 ILE A 80 1.477 6.195 0.128 1.00 0.00 C ATOM 1212 CG2 ILE A 80 0.138 6.607 -1.948 1.00 0.00 C ATOM 1213 CD1 ILE A 80 2.497 7.254 -0.216 1.00 0.00 C ATOM 0 H ILE A 80 -2.282 6.609 0.384 1.00 0.00 H new ATOM 0 HA ILE A 80 0.114 8.022 1.079 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.576 5.643 -0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.414 6.103 1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.821 5.234 -0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.569 5.701 -2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.870 6.747 -2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.754 7.464 -2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.462 6.983 0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.590 7.331 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.176 8.214 0.190 1.00 0.00 H new ATOM 1225 N LYS A 81 -1.680 9.062 -1.439 1.00 0.00 N ATOM 1226 CA LYS A 81 -1.858 10.133 -2.416 1.00 0.00 C ATOM 1227 C LYS A 81 -1.838 11.510 -1.751 1.00 0.00 C ATOM 1228 O LYS A 81 -1.505 12.512 -2.381 1.00 0.00 O ATOM 1229 CB LYS A 81 -3.176 9.942 -3.175 1.00 0.00 C ATOM 1230 CG LYS A 81 -3.498 11.077 -4.134 1.00 0.00 C ATOM 1231 CD LYS A 81 -4.827 10.868 -4.836 1.00 0.00 C ATOM 1232 CE LYS A 81 -4.775 9.704 -5.811 1.00 0.00 C ATOM 1233 NZ LYS A 81 -6.033 9.586 -6.593 1.00 0.00 N ATOM 0 H LYS A 81 -2.483 8.439 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 81 -1.024 10.084 -3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.131 9.007 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.989 9.844 -2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.522 12.019 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.705 11.160 -4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.605 10.686 -4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.102 11.777 -5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.934 9.837 -6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.599 8.778 -5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.961 8.781 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.832 9.434 -5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.188 10.460 -7.135 1.00 0.00 H new ATOM 1247 N GLY A 82 -2.170 11.556 -0.475 1.00 0.00 N ATOM 1248 CA GLY A 82 -2.265 12.830 0.211 1.00 0.00 C ATOM 1249 C GLY A 82 -0.933 13.306 0.753 1.00 0.00 C ATOM 1250 O GLY A 82 -0.887 14.162 1.636 1.00 0.00 O ATOM 0 H GLY A 82 -2.376 10.739 0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.661 13.578 -0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.976 12.743 1.032 1.00 0.00 H new ATOM 1254 N LYS A 83 0.155 12.768 0.218 1.00 0.00 N ATOM 1255 CA LYS A 83 1.482 13.096 0.704 1.00 0.00 C ATOM 1256 C LYS A 83 2.407 13.387 -0.467 1.00 0.00 C ATOM 1257 O LYS A 83 1.993 13.340 -1.631 1.00 0.00 O ATOM 1258 CB LYS A 83 2.066 11.955 1.560 1.00 0.00 C ATOM 1259 CG LYS A 83 1.654 11.978 3.033 1.00 0.00 C ATOM 1260 CD LYS A 83 0.224 11.504 3.250 1.00 0.00 C ATOM 1261 CE LYS A 83 -0.199 11.640 4.707 1.00 0.00 C ATOM 1262 NZ LYS A 83 0.541 10.711 5.608 1.00 0.00 N ATOM 0 H LYS A 83 0.141 12.102 -0.554 1.00 0.00 H new ATOM 0 HA LYS A 83 1.399 13.982 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.760 11.003 1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.154 11.997 1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.333 11.346 3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.759 12.992 3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.451 12.083 2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.135 10.463 2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.034 12.666 5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.268 11.446 4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.125 10.034 6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.258 10.194 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.007 11.256 6.361 1.00 0.00 H new ATOM 1276 N ASP A 84 3.654 13.685 -0.154 1.00 0.00 N ATOM 1277 CA ASP A 84 4.662 13.915 -1.139 1.00 0.00 C ATOM 1278 C ASP A 84 5.715 12.835 -0.981 1.00 0.00 C ATOM 1279 O ASP A 84 5.544 11.904 -0.200 1.00 0.00 O ATOM 1280 CB ASP A 84 5.272 15.311 -0.959 1.00 0.00 C ATOM 1281 CG ASP A 84 6.107 15.435 0.298 1.00 0.00 C ATOM 1282 OD1 ASP A 84 5.525 15.614 1.388 1.00 0.00 O ATOM 1283 OD2 ASP A 84 7.345 15.356 0.199 1.00 0.00 O ATOM 0 H ASP A 84 3.987 13.772 0.806 1.00 0.00 H new ATOM 0 HA ASP A 84 4.237 13.874 -2.142 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.892 15.545 -1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.471 16.050 -0.931 1.00 0.00 H new ATOM 1288 N ILE A 85 6.802 12.988 -1.685 1.00 0.00 N ATOM 1289 CA ILE A 85 7.830 11.953 -1.759 1.00 0.00 C ATOM 1290 C ILE A 85 8.736 11.976 -0.531 1.00 0.00 C ATOM 1291 O ILE A 85 9.072 10.927 0.021 1.00 0.00 O ATOM 1292 CB ILE A 85 8.663 12.076 -3.063 1.00 0.00 C ATOM 1293 CG1 ILE A 85 7.972 11.334 -4.214 1.00 0.00 C ATOM 1294 CG2 ILE A 85 10.079 11.541 -2.873 1.00 0.00 C ATOM 1295 CD1 ILE A 85 6.530 11.736 -4.445 1.00 0.00 C ATOM 0 H ILE A 85 7.013 13.826 -2.227 1.00 0.00 H new ATOM 0 HA ILE A 85 7.319 10.991 -1.777 1.00 0.00 H new ATOM 0 HB ILE A 85 8.731 13.135 -3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.535 11.507 -5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.010 10.263 -4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.634 11.642 -3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.580 12.108 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.036 10.490 -2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.121 11.162 -5.276 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.948 11.536 -3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.482 12.799 -4.680 1.00 0.00 H new ATOM 1307 N GLU A 86 9.086 13.170 -0.078 1.00 0.00 N ATOM 1308 CA GLU A 86 9.960 13.318 1.076 1.00 0.00 C ATOM 1309 C GLU A 86 9.275 12.757 2.313 1.00 0.00 C ATOM 1310 O GLU A 86 9.891 12.075 3.135 1.00 0.00 O ATOM 1311 CB GLU A 86 10.316 14.792 1.287 1.00 0.00 C ATOM 1312 CG GLU A 86 11.070 15.405 0.118 1.00 0.00 C ATOM 1313 CD GLU A 86 12.456 14.822 -0.049 1.00 0.00 C ATOM 1314 OE1 GLU A 86 12.583 13.717 -0.613 1.00 0.00 O ATOM 1315 OE2 GLU A 86 13.430 15.466 0.397 1.00 0.00 O ATOM 0 H GLU A 86 8.779 14.050 -0.491 1.00 0.00 H new ATOM 0 HA GLU A 86 10.882 12.764 0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.400 15.359 1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.920 14.886 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.501 15.249 -0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.148 16.482 0.265 1.00 0.00 H new ATOM 1322 N THR A 87 7.987 13.033 2.426 1.00 0.00 N ATOM 1323 CA THR A 87 7.196 12.520 3.527 1.00 0.00 C ATOM 1324 C THR A 87 6.893 11.033 3.338 1.00 0.00 C ATOM 1325 O THR A 87 6.807 10.288 4.309 1.00 0.00 O ATOM 1326 CB THR A 87 5.882 13.308 3.678 1.00 0.00 C ATOM 1327 OG1 THR A 87 6.172 14.710 3.706 1.00 0.00 O ATOM 1328 CG2 THR A 87 5.146 12.919 4.953 1.00 0.00 C ATOM 0 H THR A 87 7.467 13.611 1.766 1.00 0.00 H new ATOM 0 HA THR A 87 7.783 12.644 4.437 1.00 0.00 H new ATOM 0 HB THR A 87 5.241 13.071 2.829 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.302 15.036 2.791 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.223 13.493 5.030 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.911 11.855 4.927 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.777 13.130 5.816 1.00 0.00 H new ATOM 1336 N ALA A 88 6.758 10.600 2.088 1.00 0.00 N ATOM 1337 CA ALA A 88 6.479 9.196 1.789 1.00 0.00 C ATOM 1338 C ALA A 88 7.604 8.299 2.296 1.00 0.00 C ATOM 1339 O ALA A 88 7.360 7.302 2.980 1.00 0.00 O ATOM 1340 CB ALA A 88 6.270 8.995 0.298 1.00 0.00 C ATOM 0 H ALA A 88 6.837 11.199 1.266 1.00 0.00 H new ATOM 0 HA ALA A 88 5.561 8.917 2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.064 7.944 0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.427 9.600 -0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.169 9.297 -0.239 1.00 0.00 H new ATOM 1346 N LEU A 89 8.838 8.673 1.976 1.00 0.00 N ATOM 1347 CA LEU A 89 10.003 7.945 2.458 1.00 0.00 C ATOM 1348 C LEU A 89 10.010 7.944 3.983 1.00 0.00 C ATOM 1349 O LEU A 89 10.288 6.930 4.621 1.00 0.00 O ATOM 1350 CB LEU A 89 11.289 8.590 1.929 1.00 0.00 C ATOM 1351 CG LEU A 89 11.399 8.680 0.403 1.00 0.00 C ATOM 1352 CD1 LEU A 89 12.618 9.492 0.001 1.00 0.00 C ATOM 1353 CD2 LEU A 89 11.463 7.294 -0.215 1.00 0.00 C ATOM 0 H LEU A 89 9.056 9.476 1.385 1.00 0.00 H new ATOM 0 HA LEU A 89 9.955 6.918 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.368 9.596 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.141 8.024 2.305 1.00 0.00 H new ATOM 0 HG LEU A 89 10.508 9.184 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.678 9.544 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.535 10.500 0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.517 9.016 0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.541 7.382 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.334 6.764 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.560 6.740 0.040 1.00 0.00 H new ATOM 1365 N SER A 90 9.637 9.085 4.548 1.00 0.00 N ATOM 1366 CA SER A 90 9.604 9.272 5.993 1.00 0.00 C ATOM 1367 C SER A 90 8.470 8.467 6.630 1.00 0.00 C ATOM 1368 O SER A 90 8.499 8.185 7.825 1.00 0.00 O ATOM 1369 CB SER A 90 9.454 10.758 6.319 1.00 0.00 C ATOM 1370 OG SER A 90 10.493 11.517 5.717 1.00 0.00 O ATOM 0 H SER A 90 9.349 9.907 4.017 1.00 0.00 H new ATOM 0 HA SER A 90 10.543 8.907 6.409 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.486 11.116 5.967 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.473 10.901 7.399 1.00 0.00 H new ATOM 0 HG SER A 90 10.260 11.708 4.784 1.00 0.00 H new ATOM 1376 N MET A 91 7.481 8.082 5.833 1.00 0.00 N ATOM 1377 CA MET A 91 6.393 7.248 6.328 1.00 0.00 C ATOM 1378 C MET A 91 6.836 5.793 6.403 1.00 0.00 C ATOM 1379 O MET A 91 6.237 4.990 7.105 1.00 0.00 O ATOM 1380 CB MET A 91 5.131 7.395 5.472 1.00 0.00 C ATOM 1381 CG MET A 91 4.489 8.771 5.581 1.00 0.00 C ATOM 1382 SD MET A 91 2.883 8.872 4.767 1.00 0.00 S ATOM 1383 CE MET A 91 3.319 8.401 3.095 1.00 0.00 C ATOM 0 H MET A 91 7.410 8.332 4.847 1.00 0.00 H new ATOM 0 HA MET A 91 6.140 7.588 7.332 1.00 0.00 H new ATOM 0 HB2 MET A 91 5.382 7.200 4.429 1.00 0.00 H new ATOM 0 HB3 MET A 91 4.406 6.638 5.772 1.00 0.00 H new ATOM 0 HG2 MET A 91 4.372 9.028 6.634 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.158 9.513 5.144 1.00 0.00 H new ATOM 0 HE1 MET A 91 2.435 8.022 2.581 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.705 9.270 2.561 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.083 7.624 3.123 1.00 0.00 H new ATOM 1393 N SER A 92 7.893 5.467 5.677 1.00 0.00 N ATOM 1394 CA SER A 92 8.546 4.182 5.803 1.00 0.00 C ATOM 1395 C SER A 92 9.552 4.258 6.939 1.00 0.00 C ATOM 1396 O SER A 92 9.794 3.281 7.652 1.00 0.00 O ATOM 1397 CB SER A 92 9.240 3.816 4.497 1.00 0.00 C ATOM 1398 OG SER A 92 10.068 2.683 4.650 1.00 0.00 O ATOM 0 H SER A 92 8.318 6.086 4.987 1.00 0.00 H new ATOM 0 HA SER A 92 7.808 3.410 6.021 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.492 3.620 3.729 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.837 4.660 4.152 1.00 0.00 H new ATOM 0 HG SER A 92 9.967 2.097 3.871 1.00 0.00 H new ATOM 1404 N LYS A 93 10.124 5.445 7.102 1.00 0.00 N ATOM 1405 CA LYS A 93 11.011 5.726 8.215 1.00 0.00 C ATOM 1406 C LYS A 93 10.264 5.494 9.524 1.00 0.00 C ATOM 1407 O LYS A 93 10.791 4.888 10.455 1.00 0.00 O ATOM 1408 CB LYS A 93 11.496 7.171 8.116 1.00 0.00 C ATOM 1409 CG LYS A 93 12.621 7.536 9.067 1.00 0.00 C ATOM 1410 CD LYS A 93 12.986 9.002 8.912 1.00 0.00 C ATOM 1411 CE LYS A 93 14.214 9.376 9.723 1.00 0.00 C ATOM 1412 NZ LYS A 93 14.523 10.824 9.604 1.00 0.00 N ATOM 0 H LYS A 93 9.985 6.232 6.469 1.00 0.00 H new ATOM 0 HA LYS A 93 11.876 5.064 8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.829 7.358 7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.652 7.835 8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.317 7.336 10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.493 6.914 8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.167 9.220 7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.144 9.619 9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.051 9.122 10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.068 8.791 9.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.367 11.047 10.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.702 11.060 8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.716 11.381 9.952 1.00 0.00 H new ATOM 1426 N ILE A 94 9.019 5.961 9.572 1.00 0.00 N ATOM 1427 CA ILE A 94 8.170 5.755 10.737 1.00 0.00 C ATOM 1428 C ILE A 94 7.506 4.382 10.697 1.00 0.00 C ATOM 1429 O ILE A 94 7.128 3.842 11.735 1.00 0.00 O ATOM 1430 CB ILE A 94 7.080 6.843 10.861 1.00 0.00 C ATOM 1431 CG1 ILE A 94 6.123 6.794 9.667 1.00 0.00 C ATOM 1432 CG2 ILE A 94 7.721 8.218 10.978 1.00 0.00 C ATOM 1433 CD1 ILE A 94 4.963 7.762 9.760 1.00 0.00 C ATOM 0 H ILE A 94 8.578 6.485 8.816 1.00 0.00 H new ATOM 0 HA ILE A 94 8.822 5.818 11.609 1.00 0.00 H new ATOM 0 HB ILE A 94 6.501 6.650 11.764 1.00 0.00 H new ATOM 0 HG12 ILE A 94 6.685 7.004 8.757 1.00 0.00 H new ATOM 0 HG13 ILE A 94 5.730 5.782 9.572 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.943 8.976 11.065 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.358 8.249 11.862 1.00 0.00 H new ATOM 0 HG23 ILE A 94 8.323 8.416 10.091 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.334 7.663 8.875 1.00 0.00 H new ATOM 0 HD12 ILE A 94 4.374 7.540 10.650 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.344 8.781 9.822 1.00 0.00 H new ATOM 1445 N PHE A 95 7.367 3.816 9.495 1.00 0.00 N ATOM 1446 CA PHE A 95 6.763 2.490 9.342 1.00 0.00 C ATOM 1447 C PHE A 95 7.545 1.459 10.151 1.00 0.00 C ATOM 1448 O PHE A 95 6.969 0.658 10.888 1.00 0.00 O ATOM 1449 CB PHE A 95 6.727 2.080 7.866 1.00 0.00 C ATOM 1450 CG PHE A 95 5.844 0.897 7.582 1.00 0.00 C ATOM 1451 CD1 PHE A 95 4.501 1.078 7.293 1.00 0.00 C ATOM 1452 CD2 PHE A 95 6.353 -0.392 7.599 1.00 0.00 C ATOM 1453 CE1 PHE A 95 3.681 -0.003 7.027 1.00 0.00 C ATOM 1454 CE2 PHE A 95 5.539 -1.476 7.334 1.00 0.00 C ATOM 1455 CZ PHE A 95 4.201 -1.281 7.048 1.00 0.00 C ATOM 0 H PHE A 95 7.662 4.251 8.621 1.00 0.00 H new ATOM 0 HA PHE A 95 5.740 2.533 9.715 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.384 2.927 7.272 1.00 0.00 H new ATOM 0 HB3 PHE A 95 7.741 1.851 7.538 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.089 2.076 7.275 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.398 -0.551 7.822 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.636 0.153 6.803 1.00 0.00 H new ATOM 0 HE2 PHE A 95 5.948 -2.475 7.350 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.563 -2.128 6.841 1.00 0.00 H new ATOM 1465 N SER A 96 8.862 1.497 10.018 1.00 0.00 N ATOM 1466 CA SER A 96 9.730 0.598 10.760 1.00 0.00 C ATOM 1467 C SER A 96 9.932 1.095 12.192 1.00 0.00 C ATOM 1468 O SER A 96 10.159 0.308 13.113 1.00 0.00 O ATOM 1469 CB SER A 96 11.071 0.467 10.039 1.00 0.00 C ATOM 1470 OG SER A 96 11.557 1.740 9.639 1.00 0.00 O ATOM 0 H SER A 96 9.354 2.143 9.401 1.00 0.00 H new ATOM 0 HA SER A 96 9.258 -0.383 10.813 1.00 0.00 H new ATOM 0 HB2 SER A 96 11.796 -0.014 10.696 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.958 -0.175 9.165 1.00 0.00 H new ATOM 0 HG SER A 96 12.417 1.633 9.181 1.00 0.00 H new ATOM 1476 N ASP A 97 9.832 2.410 12.373 1.00 0.00 N ATOM 1477 CA ASP A 97 10.021 3.024 13.685 1.00 0.00 C ATOM 1478 C ASP A 97 8.919 2.604 14.648 1.00 0.00 C ATOM 1479 O ASP A 97 9.153 2.475 15.845 1.00 0.00 O ATOM 1480 CB ASP A 97 10.053 4.551 13.572 1.00 0.00 C ATOM 1481 CG ASP A 97 10.295 5.227 14.909 1.00 0.00 C ATOM 1482 OD1 ASP A 97 11.475 5.386 15.292 1.00 0.00 O ATOM 1483 OD2 ASP A 97 9.315 5.600 15.578 1.00 0.00 O ATOM 0 H ASP A 97 9.621 3.072 11.626 1.00 0.00 H new ATOM 0 HA ASP A 97 10.978 2.678 14.075 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.836 4.844 12.873 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.108 4.901 13.157 1.00 0.00 H new ATOM 1670 N LEU A 110 -3.389 4.159 12.294 1.00 0.00 N ATOM 1671 CA LEU A 110 -3.155 3.721 10.933 1.00 0.00 C ATOM 1672 C LEU A 110 -4.035 2.521 10.624 1.00 0.00 C ATOM 1673 O LEU A 110 -3.577 1.379 10.601 1.00 0.00 O ATOM 1674 CB LEU A 110 -1.672 3.369 10.704 1.00 0.00 C ATOM 1675 CG LEU A 110 -0.657 4.408 11.204 1.00 0.00 C ATOM 1676 CD1 LEU A 110 -0.141 4.038 12.588 1.00 0.00 C ATOM 1677 CD2 LEU A 110 0.495 4.565 10.227 1.00 0.00 C ATOM 0 HA LEU A 110 -3.409 4.540 10.260 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.463 2.418 11.195 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.514 3.218 9.636 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.170 5.367 11.274 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.576 4.788 12.921 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.975 3.997 13.288 1.00 0.00 H new ATOM 0 HD13 LEU A 110 0.346 3.064 12.546 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.197 5.307 10.608 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.006 3.609 10.110 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.111 4.892 9.261 1.00 0.00 H new ATOM 1689 N GLY A 111 -5.319 2.793 10.440 1.00 0.00 N ATOM 1690 CA GLY A 111 -6.276 1.755 10.081 1.00 0.00 C ATOM 1691 C GLY A 111 -5.900 1.026 8.800 1.00 0.00 C ATOM 1692 O GLY A 111 -6.366 -0.083 8.545 1.00 0.00 O ATOM 0 H GLY A 111 -5.723 3.725 10.533 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.347 1.035 10.896 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.263 2.202 9.963 1.00 0.00 H new ATOM 1696 N ASP A 112 -5.052 1.657 8.001 1.00 0.00 N ATOM 1697 CA ASP A 112 -4.560 1.072 6.760 1.00 0.00 C ATOM 1698 C ASP A 112 -3.699 -0.169 7.026 1.00 0.00 C ATOM 1699 O ASP A 112 -3.923 -1.226 6.434 1.00 0.00 O ATOM 1700 CB ASP A 112 -3.774 2.126 5.971 1.00 0.00 C ATOM 1701 CG ASP A 112 -2.851 2.949 6.853 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -3.330 3.947 7.445 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -1.662 2.602 6.971 1.00 0.00 O ATOM 0 H ASP A 112 -4.685 2.589 8.194 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.415 0.747 6.167 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -3.186 1.632 5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -4.473 2.791 5.464 1.00 0.00 H new ATOM 1708 N ILE A 113 -2.749 -0.053 7.947 1.00 0.00 N ATOM 1709 CA ILE A 113 -1.850 -1.157 8.261 1.00 0.00 C ATOM 1710 C ILE A 113 -2.595 -2.252 9.024 1.00 0.00 C ATOM 1711 O ILE A 113 -2.154 -3.400 9.072 1.00 0.00 O ATOM 1712 CB ILE A 113 -0.616 -0.690 9.075 1.00 0.00 C ATOM 1713 CG1 ILE A 113 0.432 -1.808 9.153 1.00 0.00 C ATOM 1714 CG2 ILE A 113 -1.024 -0.251 10.475 1.00 0.00 C ATOM 1715 CD1 ILE A 113 1.665 -1.436 9.949 1.00 0.00 C ATOM 0 H ILE A 113 -2.582 0.795 8.489 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.489 -1.558 7.314 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.177 0.165 8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.025 -2.691 9.600 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.733 -2.082 8.142 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.141 0.072 11.027 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -1.731 0.576 10.406 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -1.492 -1.086 10.996 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.359 -2.276 9.959 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.147 -0.573 9.491 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.378 -1.191 10.971 1.00 0.00 H new ATOM 1727 N GLU A 114 -3.736 -1.887 9.608 1.00 0.00 N ATOM 1728 CA GLU A 114 -4.590 -2.849 10.302 1.00 0.00 C ATOM 1729 C GLU A 114 -5.002 -3.976 9.362 1.00 0.00 C ATOM 1730 O GLU A 114 -5.183 -5.117 9.783 1.00 0.00 O ATOM 1731 CB GLU A 114 -5.840 -2.161 10.856 1.00 0.00 C ATOM 1732 CG GLU A 114 -5.564 -1.211 12.013 1.00 0.00 C ATOM 1733 CD GLU A 114 -5.050 -1.924 13.248 1.00 0.00 C ATOM 1734 OE1 GLU A 114 -5.744 -2.843 13.741 1.00 0.00 O ATOM 1735 OE2 GLU A 114 -3.954 -1.573 13.731 1.00 0.00 O ATOM 0 H GLU A 114 -4.090 -0.931 9.614 1.00 0.00 H new ATOM 0 HA GLU A 114 -4.019 -3.267 11.131 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.323 -1.606 10.052 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.545 -2.924 11.186 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.833 -0.466 11.699 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.479 -0.675 12.263 1.00 0.00 H new ATOM 1742 N ALA A 115 -5.121 -3.646 8.082 1.00 0.00 N ATOM 1743 CA ALA A 115 -5.511 -4.622 7.079 1.00 0.00 C ATOM 1744 C ALA A 115 -4.353 -5.553 6.738 1.00 0.00 C ATOM 1745 O ALA A 115 -4.549 -6.742 6.491 1.00 0.00 O ATOM 1746 CB ALA A 115 -6.001 -3.917 5.823 1.00 0.00 C ATOM 0 H ALA A 115 -4.952 -2.709 7.716 1.00 0.00 H new ATOM 0 HA ALA A 115 -6.321 -5.224 7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.290 -4.659 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.861 -3.294 6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -5.203 -3.292 5.422 1.00 0.00 H new ATOM 1752 N LEU A 116 -3.142 -5.011 6.746 1.00 0.00 N ATOM 1753 CA LEU A 116 -1.976 -5.762 6.295 1.00 0.00 C ATOM 1754 C LEU A 116 -1.388 -6.633 7.402 1.00 0.00 C ATOM 1755 O LEU A 116 -0.994 -7.774 7.156 1.00 0.00 O ATOM 1756 CB LEU A 116 -0.905 -4.810 5.758 1.00 0.00 C ATOM 1757 CG LEU A 116 -1.335 -3.969 4.555 1.00 0.00 C ATOM 1758 CD1 LEU A 116 -0.191 -3.087 4.084 1.00 0.00 C ATOM 1759 CD2 LEU A 116 -1.825 -4.864 3.427 1.00 0.00 C ATOM 0 H LEU A 116 -2.941 -4.061 7.057 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.310 -6.424 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.600 -4.139 6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.027 -5.394 5.480 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.158 -3.324 4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.516 -2.496 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.110 -2.420 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.654 -3.711 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.127 -4.249 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.023 -5.535 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.677 -5.450 3.772 1.00 0.00 H new ATOM 1771 N GLN A 117 -1.365 -6.103 8.621 1.00 0.00 N ATOM 1772 CA GLN A 117 -0.669 -6.745 9.744 1.00 0.00 C ATOM 1773 C GLN A 117 -1.246 -8.120 10.089 1.00 0.00 C ATOM 1774 O GLN A 117 -0.586 -8.926 10.745 1.00 0.00 O ATOM 1775 CB GLN A 117 -0.716 -5.842 10.978 1.00 0.00 C ATOM 1776 CG GLN A 117 -2.126 -5.527 11.442 1.00 0.00 C ATOM 1777 CD GLN A 117 -2.158 -4.631 12.662 1.00 0.00 C ATOM 1778 OE1 GLN A 117 -2.186 -3.330 12.439 1.00 0.00 O flip ATOM 1779 NE2 GLN A 117 -2.153 -5.109 13.795 1.00 0.00 N flip ATOM 0 H GLN A 117 -1.822 -5.224 8.863 1.00 0.00 H new ATOM 0 HA GLN A 117 0.364 -6.896 9.431 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -0.173 -6.323 11.792 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -0.198 -4.909 10.756 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -2.672 -5.046 10.630 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -2.646 -6.458 11.668 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.131 -6.121 13.922 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.171 -4.494 14.608 1.00 0.00 H new ATOM 1788 N GLY A 118 -2.476 -8.379 9.665 1.00 0.00 N ATOM 1789 CA GLY A 118 -3.097 -9.659 9.955 1.00 0.00 C ATOM 1790 C GLY A 118 -2.556 -10.780 9.086 1.00 0.00 C ATOM 1791 O GLY A 118 -2.132 -11.815 9.590 1.00 0.00 O ATOM 0 H GLY A 118 -3.053 -7.731 9.129 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.936 -9.907 11.004 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -4.174 -9.578 9.808 1.00 0.00 H new ATOM 1795 N VAL A 119 -2.545 -10.558 7.779 1.00 0.00 N ATOM 1796 CA VAL A 119 -2.149 -11.591 6.824 1.00 0.00 C ATOM 1797 C VAL A 119 -0.630 -11.745 6.749 1.00 0.00 C ATOM 1798 O VAL A 119 -0.130 -12.760 6.275 1.00 0.00 O ATOM 1799 CB VAL A 119 -2.710 -11.308 5.412 1.00 0.00 C ATOM 1800 CG1 VAL A 119 -4.227 -11.425 5.406 1.00 0.00 C ATOM 1801 CG2 VAL A 119 -2.282 -9.936 4.911 1.00 0.00 C ATOM 0 H VAL A 119 -2.806 -9.669 7.352 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.575 -12.525 7.190 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.298 -12.056 4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.604 -11.222 4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -4.515 -12.433 5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -4.650 -10.704 6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.693 -9.768 3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.652 -9.169 5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.194 -9.888 4.867 1.00 0.00 H new ATOM 1811 N SER A 120 0.074 -10.733 7.251 1.00 0.00 N ATOM 1812 CA SER A 120 1.537 -10.583 7.134 1.00 0.00 C ATOM 1813 C SER A 120 2.378 -11.850 7.375 1.00 0.00 C ATOM 1814 O SER A 120 3.553 -11.871 7.010 1.00 0.00 O ATOM 1815 CB SER A 120 2.016 -9.501 8.103 1.00 0.00 C ATOM 1816 OG SER A 120 1.509 -8.223 7.754 1.00 0.00 O ATOM 0 H SER A 120 -0.363 -9.969 7.766 1.00 0.00 H new ATOM 0 HA SER A 120 1.696 -10.322 6.088 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.701 -9.754 9.115 1.00 0.00 H new ATOM 0 HB3 SER A 120 3.106 -9.472 8.106 1.00 0.00 H new ATOM 0 HG SER A 120 0.530 -8.235 7.803 1.00 0.00 H new ATOM 1822 N LYS A 121 1.823 -12.895 7.977 1.00 0.00 N ATOM 1823 CA LYS A 121 2.670 -13.944 8.527 1.00 0.00 C ATOM 1824 C LYS A 121 2.023 -15.319 8.448 1.00 0.00 C ATOM 1825 O LYS A 121 2.565 -16.294 8.970 1.00 0.00 O ATOM 1826 CB LYS A 121 3.040 -13.609 9.973 1.00 0.00 C ATOM 1827 CG LYS A 121 1.843 -13.468 10.906 1.00 0.00 C ATOM 1828 CD LYS A 121 2.254 -12.863 12.239 1.00 0.00 C ATOM 1829 CE LYS A 121 3.337 -13.686 12.918 1.00 0.00 C ATOM 1830 NZ LYS A 121 3.886 -12.991 14.108 1.00 0.00 N ATOM 0 H LYS A 121 0.820 -13.037 8.095 1.00 0.00 H new ATOM 0 HA LYS A 121 3.573 -13.986 7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 121 3.697 -14.389 10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 121 3.608 -12.679 9.985 1.00 0.00 H new ATOM 0 HG2 LYS A 121 1.085 -12.841 10.437 1.00 0.00 H new ATOM 0 HG3 LYS A 121 1.390 -14.446 11.071 1.00 0.00 H new ATOM 0 HD2 LYS A 121 2.614 -11.846 12.082 1.00 0.00 H new ATOM 0 HD3 LYS A 121 1.384 -12.796 12.892 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.928 -14.651 13.216 1.00 0.00 H new ATOM 0 HE3 LYS A 121 4.141 -13.886 12.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 4.622 -13.581 14.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.298 -12.081 13.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 3.123 -12.823 14.795 1.00 0.00 H new ATOM 1844 N PHE A 122 0.877 -15.414 7.795 1.00 0.00 N ATOM 1845 CA PHE A 122 0.266 -16.706 7.577 1.00 0.00 C ATOM 1846 C PHE A 122 0.936 -17.359 6.382 1.00 0.00 C ATOM 1847 O PHE A 122 1.284 -16.670 5.423 1.00 0.00 O ATOM 1848 CB PHE A 122 -1.241 -16.578 7.355 1.00 0.00 C ATOM 1849 CG PHE A 122 -1.991 -16.115 8.573 1.00 0.00 C ATOM 1850 CD1 PHE A 122 -1.868 -16.793 9.775 1.00 0.00 C ATOM 1851 CD2 PHE A 122 -2.815 -15.004 8.515 1.00 0.00 C ATOM 1852 CE1 PHE A 122 -2.556 -16.373 10.896 1.00 0.00 C ATOM 1853 CE2 PHE A 122 -3.506 -14.580 9.634 1.00 0.00 C ATOM 1854 CZ PHE A 122 -3.377 -15.265 10.825 1.00 0.00 C ATOM 0 H PHE A 122 0.360 -14.622 7.413 1.00 0.00 H new ATOM 0 HA PHE A 122 0.404 -17.326 8.463 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -1.422 -15.878 6.539 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -1.637 -17.543 7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -1.227 -17.660 9.836 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -2.919 -14.463 7.586 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -2.452 -16.910 11.827 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -4.147 -13.713 9.576 1.00 0.00 H new ATOM 0 HZ PHE A 122 -3.917 -14.935 11.700 1.00 0.00 H new ATOM 1864 N PRO A 123 1.138 -18.686 6.432 1.00 0.00 N ATOM 1865 CA PRO A 123 1.861 -19.429 5.393 1.00 0.00 C ATOM 1866 C PRO A 123 1.451 -19.041 3.974 1.00 0.00 C ATOM 1867 O PRO A 123 2.290 -18.978 3.072 1.00 0.00 O ATOM 1868 CB PRO A 123 1.480 -20.879 5.678 1.00 0.00 C ATOM 1869 CG PRO A 123 1.245 -20.919 7.148 1.00 0.00 C ATOM 1870 CD PRO A 123 0.675 -19.575 7.517 1.00 0.00 C ATOM 0 HA PRO A 123 2.932 -19.228 5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 123 0.587 -21.171 5.125 1.00 0.00 H new ATOM 0 HB3 PRO A 123 2.275 -21.564 5.384 1.00 0.00 H new ATOM 0 HG2 PRO A 123 0.554 -21.720 7.411 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.174 -21.109 7.686 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -0.413 -19.604 7.574 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.036 -19.241 8.490 1.00 0.00 H new ATOM 1878 N ALA A 124 0.170 -18.772 3.784 1.00 0.00 N ATOM 1879 CA ALA A 124 -0.339 -18.439 2.467 1.00 0.00 C ATOM 1880 C ALA A 124 -0.800 -16.982 2.360 1.00 0.00 C ATOM 1881 O ALA A 124 -1.221 -16.545 1.288 1.00 0.00 O ATOM 1882 CB ALA A 124 -1.476 -19.378 2.097 1.00 0.00 C ATOM 0 H ALA A 124 -0.533 -18.778 4.523 1.00 0.00 H new ATOM 0 HA ALA A 124 0.485 -18.562 1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -1.852 -19.121 1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.112 -20.405 2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.280 -19.282 2.827 1.00 0.00 H new ATOM 1888 N ARG A 125 -0.719 -16.204 3.441 1.00 0.00 N ATOM 1889 CA ARG A 125 -1.263 -14.858 3.407 1.00 0.00 C ATOM 1890 C ARG A 125 -0.147 -13.842 3.540 1.00 0.00 C ATOM 1891 O ARG A 125 -0.361 -12.637 3.416 1.00 0.00 O ATOM 1892 CB ARG A 125 -2.316 -14.698 4.505 1.00 0.00 C ATOM 1893 CG ARG A 125 -3.485 -15.652 4.318 1.00 0.00 C ATOM 1894 CD ARG A 125 -4.477 -15.602 5.466 1.00 0.00 C ATOM 1895 NE ARG A 125 -5.567 -16.556 5.257 1.00 0.00 N ATOM 1896 CZ ARG A 125 -6.324 -17.066 6.232 1.00 0.00 C ATOM 1897 NH1 ARG A 125 -6.144 -16.692 7.491 1.00 0.00 N ATOM 1898 NH2 ARG A 125 -7.266 -17.953 5.942 1.00 0.00 N ATOM 0 H ARG A 125 -0.293 -16.479 4.326 1.00 0.00 H new ATOM 0 HA ARG A 125 -1.752 -14.683 2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.856 -14.875 5.477 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -2.683 -13.672 4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -4.000 -15.410 3.388 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.105 -16.669 4.216 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.967 -15.826 6.403 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -4.883 -14.595 5.557 1.00 0.00 H new ATOM 0 HE ARG A 125 -5.762 -16.852 4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -5.422 -16.009 7.722 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -6.727 -17.087 8.229 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -7.412 -18.245 4.976 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -7.845 -18.344 6.685 1.00 0.00 H new ATOM 1912 N ILE A 126 1.059 -14.357 3.726 1.00 0.00 N ATOM 1913 CA ILE A 126 2.234 -13.521 3.914 1.00 0.00 C ATOM 1914 C ILE A 126 2.587 -12.829 2.605 1.00 0.00 C ATOM 1915 O ILE A 126 3.064 -11.699 2.591 1.00 0.00 O ATOM 1916 CB ILE A 126 3.440 -14.352 4.426 1.00 0.00 C ATOM 1917 CG1 ILE A 126 4.687 -13.472 4.564 1.00 0.00 C ATOM 1918 CG2 ILE A 126 3.718 -15.530 3.501 1.00 0.00 C ATOM 1919 CD1 ILE A 126 5.879 -14.192 5.158 1.00 0.00 C ATOM 0 H ILE A 126 1.250 -15.359 3.751 1.00 0.00 H new ATOM 0 HA ILE A 126 2.003 -12.770 4.669 1.00 0.00 H new ATOM 0 HB ILE A 126 3.185 -14.743 5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 126 4.959 -13.087 3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 126 4.446 -12.611 5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.568 -16.098 3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 126 2.840 -16.175 3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 126 3.945 -15.161 2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 126 6.723 -13.505 5.224 1.00 0.00 H new ATOM 0 HD12 ILE A 126 5.626 -14.553 6.155 1.00 0.00 H new ATOM 0 HD13 ILE A 126 6.147 -15.036 4.523 1.00 0.00 H new ATOM 1931 N LYS A 127 2.286 -13.504 1.503 1.00 0.00 N ATOM 1932 CA LYS A 127 2.596 -12.990 0.180 1.00 0.00 C ATOM 1933 C LYS A 127 1.527 -12.003 -0.255 1.00 0.00 C ATOM 1934 O LYS A 127 1.761 -11.158 -1.111 1.00 0.00 O ATOM 1935 CB LYS A 127 2.706 -14.132 -0.826 1.00 0.00 C ATOM 1936 CG LYS A 127 3.795 -15.141 -0.498 1.00 0.00 C ATOM 1937 CD LYS A 127 3.816 -16.276 -1.509 1.00 0.00 C ATOM 1938 CE LYS A 127 4.880 -17.310 -1.177 1.00 0.00 C ATOM 1939 NZ LYS A 127 4.839 -18.459 -2.121 1.00 0.00 N ATOM 0 H LYS A 127 1.825 -14.414 1.502 1.00 0.00 H new ATOM 0 HA LYS A 127 3.556 -12.476 0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.748 -14.650 -0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 127 2.897 -13.715 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 127 4.764 -14.643 -0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.632 -15.544 0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 127 2.838 -16.757 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 127 4.000 -15.872 -2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 127 5.865 -16.844 -1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 127 4.734 -17.670 -0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 5.578 -19.145 -1.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 3.907 -18.918 -2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 5.003 -18.118 -3.090 1.00 0.00 H new ATOM 1953 N CYS A 128 0.350 -12.118 0.352 1.00 0.00 N ATOM 1954 CA CYS A 128 -0.722 -11.160 0.117 1.00 0.00 C ATOM 1955 C CYS A 128 -0.318 -9.831 0.747 1.00 0.00 C ATOM 1956 O CYS A 128 -0.576 -8.743 0.213 1.00 0.00 O ATOM 1957 CB CYS A 128 -2.043 -11.659 0.734 1.00 0.00 C ATOM 1958 SG CYS A 128 -2.552 -13.327 0.221 1.00 0.00 S ATOM 0 H CYS A 128 0.116 -12.863 1.008 1.00 0.00 H new ATOM 0 HA CYS A 128 -0.880 -11.039 -0.955 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -1.948 -11.643 1.820 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -2.836 -10.958 0.473 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.493 -13.238 -0.671 1.00 0.00 H new ATOM 1964 N ALA A 129 0.381 -9.944 1.867 1.00 0.00 N ATOM 1965 CA ALA A 129 0.812 -8.783 2.617 1.00 0.00 C ATOM 1966 C ALA A 129 2.034 -8.160 1.966 1.00 0.00 C ATOM 1967 O ALA A 129 2.085 -6.951 1.764 1.00 0.00 O ATOM 1968 CB ALA A 129 1.114 -9.162 4.058 1.00 0.00 C ATOM 0 H ALA A 129 0.661 -10.836 2.275 1.00 0.00 H new ATOM 0 HA ALA A 129 0.005 -8.050 2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.437 -8.277 4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 129 0.216 -9.570 4.523 1.00 0.00 H new ATOM 0 HB3 ALA A 129 1.906 -9.911 4.079 1.00 0.00 H new ATOM 1974 N THR A 130 3.003 -8.996 1.614 1.00 0.00 N ATOM 1975 CA THR A 130 4.244 -8.517 1.031 1.00 0.00 C ATOM 1976 C THR A 130 4.007 -7.815 -0.303 1.00 0.00 C ATOM 1977 O THR A 130 4.701 -6.852 -0.623 1.00 0.00 O ATOM 1978 CB THR A 130 5.264 -9.657 0.843 1.00 0.00 C ATOM 1979 OG1 THR A 130 4.648 -10.767 0.184 1.00 0.00 O ATOM 1980 CG2 THR A 130 5.832 -10.103 2.183 1.00 0.00 C ATOM 0 H THR A 130 2.951 -10.009 1.723 1.00 0.00 H new ATOM 0 HA THR A 130 4.656 -7.795 1.736 1.00 0.00 H new ATOM 0 HB THR A 130 6.082 -9.283 0.227 1.00 0.00 H new ATOM 0 HG1 THR A 130 5.335 -11.416 -0.074 1.00 0.00 H new ATOM 0 HG21 THR A 130 6.549 -10.908 2.024 1.00 0.00 H new ATOM 0 HG22 THR A 130 6.331 -9.262 2.665 1.00 0.00 H new ATOM 0 HG23 THR A 130 5.023 -10.458 2.821 1.00 0.00 H new ATOM 1988 N LEU A 131 3.021 -8.277 -1.075 1.00 0.00 N ATOM 1989 CA LEU A 131 2.728 -7.646 -2.358 1.00 0.00 C ATOM 1990 C LEU A 131 2.172 -6.242 -2.142 1.00 0.00 C ATOM 1991 O LEU A 131 2.564 -5.305 -2.833 1.00 0.00 O ATOM 1992 CB LEU A 131 1.790 -8.510 -3.236 1.00 0.00 C ATOM 1993 CG LEU A 131 0.346 -8.728 -2.748 1.00 0.00 C ATOM 1994 CD1 LEU A 131 -0.567 -7.586 -3.179 1.00 0.00 C ATOM 1995 CD2 LEU A 131 -0.194 -10.048 -3.278 1.00 0.00 C ATOM 0 H LEU A 131 2.424 -9.070 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 131 3.664 -7.561 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 131 1.744 -8.054 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 131 2.253 -9.489 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 131 0.364 -8.755 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -1.578 -7.773 -2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.199 -6.649 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -0.577 -7.519 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -1.216 -10.191 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.184 -10.034 -4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.431 -10.867 -2.920 1.00 0.00 H new ATOM 2007 N SER A 132 1.293 -6.092 -1.156 1.00 0.00 N ATOM 2008 CA SER A 132 0.734 -4.783 -0.836 1.00 0.00 C ATOM 2009 C SER A 132 1.792 -3.896 -0.173 1.00 0.00 C ATOM 2010 O SER A 132 2.013 -2.744 -0.568 1.00 0.00 O ATOM 2011 CB SER A 132 -0.467 -4.946 0.097 1.00 0.00 C ATOM 2012 OG SER A 132 -1.416 -5.864 -0.429 1.00 0.00 O ATOM 0 H SER A 132 0.954 -6.854 -0.569 1.00 0.00 H new ATOM 0 HA SER A 132 0.410 -4.306 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 132 -0.126 -5.293 1.073 1.00 0.00 H new ATOM 0 HB3 SER A 132 -0.943 -3.978 0.251 1.00 0.00 H new ATOM 0 HG SER A 132 -1.137 -6.780 -0.219 1.00 0.00 H new ATOM 2018 N TRP A 133 2.463 -4.465 0.817 1.00 0.00 N ATOM 2019 CA TRP A 133 3.420 -3.743 1.635 1.00 0.00 C ATOM 2020 C TRP A 133 4.589 -3.258 0.796 1.00 0.00 C ATOM 2021 O TRP A 133 4.858 -2.064 0.741 1.00 0.00 O ATOM 2022 CB TRP A 133 3.894 -4.650 2.779 1.00 0.00 C ATOM 2023 CG TRP A 133 5.113 -4.179 3.519 1.00 0.00 C ATOM 2024 CD1 TRP A 133 5.439 -2.897 3.865 1.00 0.00 C ATOM 2025 CD2 TRP A 133 6.160 -5.010 4.032 1.00 0.00 C ATOM 2026 NE1 TRP A 133 6.640 -2.884 4.535 1.00 0.00 N ATOM 2027 CE2 TRP A 133 7.096 -4.170 4.660 1.00 0.00 C ATOM 2028 CE3 TRP A 133 6.395 -6.391 4.019 1.00 0.00 C ATOM 2029 CZ2 TRP A 133 8.250 -4.663 5.264 1.00 0.00 C ATOM 2030 CZ3 TRP A 133 7.540 -6.877 4.621 1.00 0.00 C ATOM 2031 CH2 TRP A 133 8.454 -6.015 5.238 1.00 0.00 C ATOM 0 H TRP A 133 2.357 -5.446 1.075 1.00 0.00 H new ATOM 0 HA TRP A 133 2.940 -2.862 2.060 1.00 0.00 H new ATOM 0 HB2 TRP A 133 3.078 -4.760 3.493 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.098 -5.641 2.372 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.842 -2.024 3.645 1.00 0.00 H new ATOM 0 HE1 TRP A 133 7.115 -2.051 4.883 1.00 0.00 H new ATOM 0 HE3 TRP A 133 5.694 -7.064 3.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 8.960 -4.000 5.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 7.733 -7.940 4.615 1.00 0.00 H new ATOM 0 HH2 TRP A 133 9.338 -6.426 5.703 1.00 0.00 H new ATOM 2042 N LYS A 134 5.244 -4.176 0.099 1.00 0.00 N ATOM 2043 CA LYS A 134 6.461 -3.843 -0.632 1.00 0.00 C ATOM 2044 C LYS A 134 6.167 -3.011 -1.875 1.00 0.00 C ATOM 2045 O LYS A 134 7.059 -2.351 -2.402 1.00 0.00 O ATOM 2046 CB LYS A 134 7.254 -5.103 -0.992 1.00 0.00 C ATOM 2047 CG LYS A 134 8.012 -5.693 0.189 1.00 0.00 C ATOM 2048 CD LYS A 134 9.000 -4.688 0.774 1.00 0.00 C ATOM 2049 CE LYS A 134 9.799 -5.284 1.924 1.00 0.00 C ATOM 2050 NZ LYS A 134 10.763 -4.312 2.509 1.00 0.00 N ATOM 0 H LYS A 134 4.956 -5.152 0.024 1.00 0.00 H new ATOM 0 HA LYS A 134 7.076 -3.234 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 134 6.570 -5.854 -1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 134 7.961 -4.865 -1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 134 7.305 -6.002 0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 134 8.547 -6.588 -0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 134 9.682 -4.352 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 134 8.459 -3.809 1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 134 9.114 -5.624 2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 134 10.341 -6.161 1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 11.630 -4.811 2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 10.997 -3.587 1.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 10.336 -3.858 3.342 1.00 0.00 H new ATOM 2064 N ALA A 135 4.924 -3.037 -2.344 1.00 0.00 N ATOM 2065 CA ALA A 135 4.523 -2.167 -3.440 1.00 0.00 C ATOM 2066 C ALA A 135 4.685 -0.705 -3.034 1.00 0.00 C ATOM 2067 O ALA A 135 5.237 0.105 -3.780 1.00 0.00 O ATOM 2068 CB ALA A 135 3.087 -2.446 -3.855 1.00 0.00 C ATOM 0 H ALA A 135 4.186 -3.644 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 135 5.168 -2.370 -4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.810 -1.784 -4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.997 -3.483 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.423 -2.272 -3.008 1.00 0.00 H new ATOM 2074 N LEU A 136 4.231 -0.381 -1.828 1.00 0.00 N ATOM 2075 CA LEU A 136 4.327 0.986 -1.316 1.00 0.00 C ATOM 2076 C LEU A 136 5.676 1.196 -0.647 1.00 0.00 C ATOM 2077 O LEU A 136 6.260 2.279 -0.713 1.00 0.00 O ATOM 2078 CB LEU A 136 3.194 1.302 -0.329 1.00 0.00 C ATOM 2079 CG LEU A 136 1.978 2.026 -0.924 1.00 0.00 C ATOM 2080 CD1 LEU A 136 1.203 1.122 -1.867 1.00 0.00 C ATOM 2081 CD2 LEU A 136 1.077 2.543 0.187 1.00 0.00 C ATOM 0 H LEU A 136 3.794 -1.043 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 136 4.230 1.667 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 136 2.855 0.368 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.599 1.913 0.478 1.00 0.00 H new ATOM 0 HG LEU A 136 2.340 2.874 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.348 1.665 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.852 0.807 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 136 0.852 0.245 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.219 3.054 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 136 0.731 1.706 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.635 3.239 0.813 1.00 0.00 H new ATOM 2093 N GLU A 137 6.163 0.131 -0.023 1.00 0.00 N ATOM 2094 CA GLU A 137 7.442 0.131 0.675 1.00 0.00 C ATOM 2095 C GLU A 137 8.590 0.369 -0.303 1.00 0.00 C ATOM 2096 O GLU A 137 9.691 0.744 0.092 1.00 0.00 O ATOM 2097 CB GLU A 137 7.629 -1.215 1.389 1.00 0.00 C ATOM 2098 CG GLU A 137 8.890 -1.326 2.227 1.00 0.00 C ATOM 2099 CD GLU A 137 8.891 -0.402 3.425 1.00 0.00 C ATOM 2100 OE1 GLU A 137 9.206 0.787 3.255 1.00 0.00 O ATOM 2101 OE2 GLU A 137 8.610 -0.875 4.547 1.00 0.00 O ATOM 0 H GLU A 137 5.677 -0.765 0.013 1.00 0.00 H new ATOM 0 HA GLU A 137 7.447 0.938 1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 137 6.767 -1.391 2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.636 -2.008 0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 137 9.002 -2.355 2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 137 9.755 -1.102 1.602 1.00 0.00 H new ATOM 2108 N LYS A 138 8.344 0.111 -1.577 1.00 0.00 N ATOM 2109 CA LYS A 138 9.359 0.372 -2.596 1.00 0.00 C ATOM 2110 C LYS A 138 8.980 1.554 -3.491 1.00 0.00 C ATOM 2111 O LYS A 138 9.825 2.387 -3.820 1.00 0.00 O ATOM 2112 CB LYS A 138 9.615 -0.874 -3.447 1.00 0.00 C ATOM 2113 CG LYS A 138 10.618 -0.641 -4.566 1.00 0.00 C ATOM 2114 CD LYS A 138 11.037 -1.938 -5.233 1.00 0.00 C ATOM 2115 CE LYS A 138 11.855 -2.811 -4.292 1.00 0.00 C ATOM 2116 NZ LYS A 138 12.345 -4.042 -4.966 1.00 0.00 N ATOM 0 H LYS A 138 7.467 -0.272 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 138 10.277 0.633 -2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 138 9.978 -1.676 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 138 8.672 -1.212 -3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 138 10.182 0.025 -5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 138 11.498 -0.139 -4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 138 10.151 -2.483 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 138 11.622 -1.717 -6.126 1.00 0.00 H new ATOM 0 HE2 LYS A 138 12.704 -2.241 -3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 138 11.247 -3.086 -3.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 12.898 -4.610 -4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 11.534 -4.598 -5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 12.946 -3.780 -5.773 1.00 0.00 H new ATOM 2130 N GLY A 139 7.709 1.623 -3.871 1.00 0.00 N ATOM 2131 CA GLY A 139 7.266 2.608 -4.848 1.00 0.00 C ATOM 2132 C GLY A 139 7.564 4.047 -4.459 1.00 0.00 C ATOM 2133 O GLY A 139 8.147 4.795 -5.242 1.00 0.00 O ATOM 0 H GLY A 139 6.972 1.012 -3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 139 7.744 2.395 -5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 139 6.192 2.498 -4.997 1.00 0.00 H new ATOM 2137 N VAL A 140 7.181 4.428 -3.248 1.00 0.00 N ATOM 2138 CA VAL A 140 7.275 5.821 -2.819 1.00 0.00 C ATOM 2139 C VAL A 140 8.067 5.961 -1.529 1.00 0.00 C ATOM 2140 O VAL A 140 8.376 7.069 -1.095 1.00 0.00 O ATOM 2141 CB VAL A 140 5.876 6.428 -2.598 1.00 0.00 C ATOM 2142 CG1 VAL A 140 5.149 6.620 -3.915 1.00 0.00 C ATOM 2143 CG2 VAL A 140 5.059 5.546 -1.669 1.00 0.00 C ATOM 0 H VAL A 140 6.802 3.794 -2.544 1.00 0.00 H new ATOM 0 HA VAL A 140 7.791 6.355 -3.617 1.00 0.00 H new ATOM 0 HB VAL A 140 6.002 7.407 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 140 4.165 7.050 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 140 5.723 7.292 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 140 5.036 5.656 -4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.073 5.987 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.951 4.555 -2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 140 5.566 5.462 -0.708 1.00 0.00 H new ATOM 2153 N ALA A 141 8.397 4.840 -0.915 1.00 0.00 N ATOM 2154 CA ALA A 141 9.040 4.859 0.381 1.00 0.00 C ATOM 2155 C ALA A 141 10.300 4.014 0.376 1.00 0.00 C ATOM 2156 O ALA A 141 10.504 3.215 -0.536 1.00 0.00 O ATOM 2157 CB ALA A 141 8.072 4.366 1.440 1.00 0.00 C ATOM 0 H ALA A 141 8.230 3.908 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 141 9.329 5.885 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 141 8.560 4.382 2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.196 5.014 1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 141 7.764 3.347 1.205 1.00 0.00 H new ATOM 2163 N LYS A 142 11.157 4.233 1.372 1.00 0.00 N ATOM 2164 CA LYS A 142 12.334 3.398 1.593 1.00 0.00 C ATOM 2165 C LYS A 142 13.113 3.909 2.800 1.00 0.00 C ATOM 2166 O LYS A 142 14.304 4.216 2.698 1.00 0.00 O ATOM 2167 CB LYS A 142 13.251 3.365 0.365 1.00 0.00 C ATOM 2168 CG LYS A 142 14.210 2.181 0.363 1.00 0.00 C ATOM 2169 CD LYS A 142 15.235 2.275 -0.759 1.00 0.00 C ATOM 2170 CE LYS A 142 16.422 3.152 -0.379 1.00 0.00 C ATOM 2171 NZ LYS A 142 16.026 4.548 -0.058 1.00 0.00 N ATOM 0 H LYS A 142 11.055 4.992 2.046 1.00 0.00 H new ATOM 0 HA LYS A 142 11.986 2.382 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 142 12.639 3.330 -0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 142 13.826 4.290 0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 142 14.726 2.132 1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 142 13.643 1.256 0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 142 15.589 1.275 -1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 142 14.758 2.678 -1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 142 16.930 2.716 0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 142 17.138 3.162 -1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 16.855 5.171 -0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 15.290 4.862 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 15.656 4.589 0.913 1.00 0.00 H new ATOM 2185 N GLU A 143 12.413 4.033 3.925 1.00 0.00 N ATOM 2186 CA GLU A 143 13.014 4.400 5.206 1.00 0.00 C ATOM 2187 C GLU A 143 13.684 5.774 5.152 1.00 0.00 C ATOM 2188 O GLU A 143 13.014 6.799 5.241 1.00 0.00 O ATOM 2189 CB GLU A 143 14.018 3.331 5.651 1.00 0.00 C ATOM 2190 CG GLU A 143 13.429 1.931 5.675 1.00 0.00 C ATOM 2191 CD GLU A 143 14.454 0.872 6.008 1.00 0.00 C ATOM 2192 OE1 GLU A 143 15.317 0.579 5.152 1.00 0.00 O ATOM 2193 OE2 GLU A 143 14.394 0.317 7.125 1.00 0.00 O ATOM 0 H GLU A 143 11.406 3.881 3.974 1.00 0.00 H new ATOM 0 HA GLU A 143 12.209 4.459 5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 143 14.876 3.346 4.979 1.00 0.00 H new ATOM 0 HB3 GLU A 143 14.387 3.580 6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 143 12.623 1.893 6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 143 12.987 1.710 4.703 1.00 0.00 H new ATOM 2200 N GLU A 144 14.999 5.782 4.985 1.00 0.00 N ATOM 2201 CA GLU A 144 15.774 7.013 4.981 1.00 0.00 C ATOM 2202 C GLU A 144 17.199 6.696 4.551 1.00 0.00 C ATOM 2203 O GLU A 144 17.639 7.092 3.472 1.00 0.00 O ATOM 2204 CB GLU A 144 15.738 7.660 6.379 1.00 0.00 C ATOM 2205 CG GLU A 144 16.419 9.021 6.482 1.00 0.00 C ATOM 2206 CD GLU A 144 17.917 8.926 6.705 1.00 0.00 C ATOM 2207 OE1 GLU A 144 18.339 8.217 7.644 1.00 0.00 O ATOM 2208 OE2 GLU A 144 18.678 9.553 5.944 1.00 0.00 O ATOM 0 H GLU A 144 15.556 4.939 4.849 1.00 0.00 H new ATOM 0 HA GLU A 144 15.347 7.726 4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 144 14.697 7.768 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 144 16.210 6.981 7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 144 16.229 9.585 5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 144 15.971 9.583 7.302 1.00 0.00 H new