USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 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 32 CYS SG : rot -51:sc= 0.399 USER MOD Set 1.2: A 35 CYS SG : rot 76:sc= 0.0293 USER MOD Set 2.1: A 8 THR OG1 : rot -48:sc= 1.11 USER MOD Set 2.2: A 11 SER OG : rot 102:sc= 2.71 USER MOD Single : A 6 HIS : no HD1:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0418 USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0452) USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= 0.768 (180deg=0.644) USER MOD Single : A 37 MET CE :methyl -177:sc= 0 (180deg=-0.0172) USER MOD Single : A 49 TYR OH : rot -151:sc= 0.521 USER MOD Single : A 50 GLN : amide:sc= 0.22 X(o=0.22,f=-0.16) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0.887 (180deg=0.831) USER MOD Single : A 59 ASN : amide:sc= 2.35 K(o=2.3,f=-8!) USER MOD Single : A 62 GLN : amide:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 63 ASN : amide:sc= 1.09 K(o=1.1,f=-5.4!) USER MOD Single : A 66 THR OG1 : rot 71:sc= 1.16 USER MOD Single : A 69 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00227) USER MOD Single : A 70 TYR OH : rot -124:sc= 1.19 USER MOD Single : A 77 THR OG1 : rot -52:sc= 1.22 USER MOD Single : A 82 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.14) USER MOD Single : A 83 ASN : amide:sc= 1.17 K(o=1.2,f=-0.48) USER MOD Single : A 89 THR OG1 : rot 36:sc= 1.2 USER MOD Single : A 90 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.26) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0532 USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= 0.412 (180deg=0.224) USER MOD Single : A 98 GLN : amide:sc= 0.608 K(o=0.61,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= 0.915 (180deg=0.651) USER MOD Single : A 106 ASN : amide:sc= 0.475 K(o=0.48,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 -9.073 -2.614 -9.841 1.00 0.00 N ATOM 47 CA ILE A 4 -7.680 -2.872 -9.521 1.00 0.00 C ATOM 48 C ILE A 4 -7.193 -4.127 -10.242 1.00 0.00 C ATOM 49 O ILE A 4 -7.906 -5.127 -10.304 1.00 0.00 O ATOM 50 CB ILE A 4 -7.506 -2.994 -7.997 1.00 0.00 C ATOM 51 CG1 ILE A 4 -7.939 -1.677 -7.323 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.056 -3.349 -7.642 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.541 -1.586 -5.849 1.00 0.00 C ATOM 0 HA ILE A 4 -7.071 -2.036 -9.865 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.139 -3.801 -7.627 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.497 -0.840 -7.863 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.021 -1.574 -7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.956 -3.430 -6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.791 -4.300 -8.103 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.390 -2.569 -8.011 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -7.877 -0.634 -5.439 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.005 -2.403 -5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.457 -1.657 -5.760 1.00 0.00 H new ATOM 65 N ILE A 5 -5.962 -4.083 -10.753 1.00 0.00 N ATOM 66 CA ILE A 5 -5.325 -5.210 -11.423 1.00 0.00 C ATOM 67 C ILE A 5 -4.536 -6.023 -10.385 1.00 0.00 C ATOM 68 O ILE A 5 -3.585 -5.520 -9.788 1.00 0.00 O ATOM 69 CB ILE A 5 -4.420 -4.710 -12.565 1.00 0.00 C ATOM 70 CG1 ILE A 5 -5.102 -3.676 -13.483 1.00 0.00 C ATOM 71 CG2 ILE A 5 -3.901 -5.897 -13.388 1.00 0.00 C ATOM 72 CD1 ILE A 5 -6.416 -4.146 -14.114 1.00 0.00 C ATOM 0 H ILE A 5 -5.374 -3.251 -10.711 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.080 -5.856 -11.871 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.584 -4.194 -12.093 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.295 -2.771 -12.907 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.409 -3.405 -14.280 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.263 -5.531 -14.192 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.327 -6.563 -12.744 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.744 -6.441 -13.813 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.822 -3.353 -14.742 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.231 -5.032 -14.722 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.131 -4.388 -13.328 1.00 0.00 H new ATOM 84 N HIS A 6 -4.913 -7.283 -10.156 1.00 0.00 N ATOM 85 CA HIS A 6 -4.211 -8.146 -9.211 1.00 0.00 C ATOM 86 C HIS A 6 -2.996 -8.753 -9.914 1.00 0.00 C ATOM 87 O HIS A 6 -3.161 -9.533 -10.848 1.00 0.00 O ATOM 88 CB HIS A 6 -5.154 -9.218 -8.654 1.00 0.00 C ATOM 89 CG HIS A 6 -6.131 -8.661 -7.646 1.00 0.00 C ATOM 90 ND1 HIS A 6 -6.191 -8.994 -6.305 1.00 0.00 N ATOM 91 CD2 HIS A 6 -7.044 -7.670 -7.875 1.00 0.00 C ATOM 92 CE1 HIS A 6 -7.134 -8.223 -5.733 1.00 0.00 C ATOM 93 NE2 HIS A 6 -7.664 -7.412 -6.670 1.00 0.00 N ATOM 0 H HIS A 6 -5.707 -7.728 -10.617 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.864 -7.565 -8.356 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.705 -9.675 -9.476 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.566 -10.008 -8.187 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.242 -7.183 -8.818 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.420 -8.250 -4.692 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.400 -6.723 -6.514 1.00 0.00 H new ATOM 102 N LEU A 7 -1.787 -8.384 -9.486 1.00 0.00 N ATOM 103 CA LEU A 7 -0.542 -8.835 -10.086 1.00 0.00 C ATOM 104 C LEU A 7 0.053 -10.027 -9.347 1.00 0.00 C ATOM 105 O LEU A 7 -0.265 -10.279 -8.184 1.00 0.00 O ATOM 106 CB LEU A 7 0.499 -7.714 -9.997 1.00 0.00 C ATOM 107 CG LEU A 7 0.051 -6.348 -10.515 1.00 0.00 C ATOM 108 CD1 LEU A 7 1.237 -5.390 -10.380 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.373 -6.416 -11.978 1.00 0.00 C ATOM 0 H LEU A 7 -1.650 -7.751 -8.698 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.772 -9.114 -11.114 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.800 -7.606 -8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.384 -8.021 -10.554 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.808 -6.008 -9.936 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.950 -4.403 -10.742 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.532 -5.321 -9.333 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.075 -5.763 -10.969 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.685 -5.427 -12.313 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.466 -6.756 -12.585 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.204 -7.114 -12.084 1.00 0.00 H new ATOM 121 N THR A 8 0.993 -10.698 -10.014 1.00 0.00 N ATOM 122 CA THR A 8 1.813 -11.755 -9.462 1.00 0.00 C ATOM 123 C THR A 8 3.239 -11.481 -9.939 1.00 0.00 C ATOM 124 O THR A 8 3.431 -10.682 -10.855 1.00 0.00 O ATOM 125 CB THR A 8 1.324 -13.128 -9.935 1.00 0.00 C ATOM 126 OG1 THR A 8 1.585 -13.271 -11.318 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.170 -13.341 -9.674 1.00 0.00 C ATOM 0 H THR A 8 1.205 -10.505 -10.993 1.00 0.00 H new ATOM 0 HA THR A 8 1.762 -11.770 -8.373 1.00 0.00 H new ATOM 0 HB THR A 8 1.866 -13.881 -9.363 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.281 -12.469 -11.793 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.464 -14.329 -10.028 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.367 -13.265 -8.605 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.744 -12.580 -10.203 1.00 0.00 H new ATOM 135 N ASP A 9 4.241 -12.139 -9.356 1.00 0.00 N ATOM 136 CA ASP A 9 5.630 -11.969 -9.755 1.00 0.00 C ATOM 137 C ASP A 9 5.787 -12.336 -11.229 1.00 0.00 C ATOM 138 O ASP A 9 6.370 -11.588 -12.009 1.00 0.00 O ATOM 139 CB ASP A 9 6.526 -12.837 -8.863 1.00 0.00 C ATOM 140 CG ASP A 9 8.006 -12.616 -9.162 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.488 -13.237 -10.134 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.634 -11.846 -8.404 1.00 0.00 O ATOM 0 H ASP A 9 4.108 -12.804 -8.594 1.00 0.00 H new ATOM 0 HA ASP A 9 5.931 -10.929 -9.632 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.328 -12.608 -7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.278 -13.888 -9.011 1.00 0.00 H new ATOM 147 N ASP A 10 5.226 -13.489 -11.600 1.00 0.00 N ATOM 148 CA ASP A 10 5.258 -13.999 -12.959 1.00 0.00 C ATOM 149 C ASP A 10 4.568 -13.043 -13.934 1.00 0.00 C ATOM 150 O ASP A 10 5.080 -12.797 -15.024 1.00 0.00 O ATOM 151 CB ASP A 10 4.588 -15.377 -12.997 1.00 0.00 C ATOM 152 CG ASP A 10 4.519 -15.921 -14.421 1.00 0.00 C ATOM 153 OD1 ASP A 10 5.540 -16.490 -14.860 1.00 0.00 O ATOM 154 OD2 ASP A 10 3.446 -15.755 -15.041 1.00 0.00 O ATOM 0 H ASP A 10 4.731 -14.099 -10.949 1.00 0.00 H new ATOM 0 HA ASP A 10 6.298 -14.087 -13.272 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.144 -16.071 -12.367 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.582 -15.306 -12.583 1.00 0.00 H new ATOM 159 N SER A 11 3.398 -12.522 -13.559 1.00 0.00 N ATOM 160 CA SER A 11 2.635 -11.670 -14.463 1.00 0.00 C ATOM 161 C SER A 11 3.180 -10.239 -14.507 1.00 0.00 C ATOM 162 O SER A 11 2.958 -9.532 -15.491 1.00 0.00 O ATOM 163 CB SER A 11 1.149 -11.730 -14.090 1.00 0.00 C ATOM 164 OG SER A 11 0.894 -11.091 -12.850 1.00 0.00 O ATOM 0 H SER A 11 2.966 -12.674 -12.648 1.00 0.00 H new ATOM 0 HA SER A 11 2.745 -12.048 -15.479 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.558 -11.255 -14.873 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.829 -12.771 -14.036 1.00 0.00 H new ATOM 0 HG SER A 11 0.505 -10.206 -13.012 1.00 0.00 H new ATOM 170 N PHE A 12 3.869 -9.813 -13.441 1.00 0.00 N ATOM 171 CA PHE A 12 4.444 -8.487 -13.251 1.00 0.00 C ATOM 172 C PHE A 12 4.953 -7.845 -14.539 1.00 0.00 C ATOM 173 O PHE A 12 4.516 -6.758 -14.906 1.00 0.00 O ATOM 174 CB PHE A 12 5.579 -8.545 -12.218 1.00 0.00 C ATOM 175 CG PHE A 12 5.977 -7.174 -11.717 1.00 0.00 C ATOM 176 CD1 PHE A 12 6.814 -6.349 -12.493 1.00 0.00 C ATOM 177 CD2 PHE A 12 5.314 -6.642 -10.599 1.00 0.00 C ATOM 178 CE1 PHE A 12 6.903 -4.978 -12.204 1.00 0.00 C ATOM 179 CE2 PHE A 12 5.481 -5.294 -10.254 1.00 0.00 C ATOM 180 CZ PHE A 12 6.240 -4.454 -11.083 1.00 0.00 C ATOM 0 H PHE A 12 4.047 -10.425 -12.645 1.00 0.00 H new ATOM 0 HA PHE A 12 3.632 -7.856 -12.890 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.267 -9.160 -11.374 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.447 -9.032 -12.663 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.385 -6.769 -13.307 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.673 -7.274 -10.003 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.481 -4.327 -12.843 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.028 -4.904 -9.355 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.314 -3.400 -10.858 1.00 0.00 H new ATOM 190 N ASP A 13 5.906 -8.494 -15.207 1.00 0.00 N ATOM 191 CA ASP A 13 6.528 -7.976 -16.414 1.00 0.00 C ATOM 192 C ASP A 13 5.470 -7.568 -17.438 1.00 0.00 C ATOM 193 O ASP A 13 5.397 -6.413 -17.853 1.00 0.00 O ATOM 194 CB ASP A 13 7.492 -9.023 -16.982 1.00 0.00 C ATOM 195 CG ASP A 13 8.681 -9.274 -16.058 1.00 0.00 C ATOM 196 OD1 ASP A 13 8.433 -9.761 -14.933 1.00 0.00 O ATOM 197 OD2 ASP A 13 9.814 -8.968 -16.487 1.00 0.00 O ATOM 0 H ASP A 13 6.268 -9.403 -14.918 1.00 0.00 H new ATOM 0 HA ASP A 13 7.098 -7.080 -16.170 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.956 -9.958 -17.143 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.854 -8.691 -17.955 1.00 0.00 H new ATOM 202 N THR A 14 4.643 -8.524 -17.841 1.00 0.00 N ATOM 203 CA THR A 14 3.598 -8.309 -18.819 1.00 0.00 C ATOM 204 C THR A 14 2.599 -7.249 -18.356 1.00 0.00 C ATOM 205 O THR A 14 2.172 -6.404 -19.139 1.00 0.00 O ATOM 206 CB THR A 14 2.906 -9.657 -19.070 1.00 0.00 C ATOM 207 OG1 THR A 14 3.887 -10.679 -19.091 1.00 0.00 O ATOM 208 CG2 THR A 14 2.140 -9.662 -20.395 1.00 0.00 C ATOM 0 H THR A 14 4.684 -9.481 -17.490 1.00 0.00 H new ATOM 0 HA THR A 14 4.032 -7.931 -19.745 1.00 0.00 H new ATOM 0 HB THR A 14 2.188 -9.828 -18.268 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.455 -11.544 -19.249 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.664 -10.632 -20.537 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.378 -8.883 -20.377 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.832 -9.474 -21.216 1.00 0.00 H new ATOM 216 N ASP A 15 2.198 -7.318 -17.088 1.00 0.00 N ATOM 217 CA ASP A 15 1.169 -6.447 -16.547 1.00 0.00 C ATOM 218 C ASP A 15 1.618 -5.005 -16.342 1.00 0.00 C ATOM 219 O ASP A 15 0.803 -4.098 -16.479 1.00 0.00 O ATOM 220 CB ASP A 15 0.681 -6.987 -15.198 1.00 0.00 C ATOM 221 CG ASP A 15 0.040 -8.371 -15.233 1.00 0.00 C ATOM 222 OD1 ASP A 15 -0.264 -8.857 -16.342 1.00 0.00 O ATOM 223 OD2 ASP A 15 -0.132 -8.924 -14.124 1.00 0.00 O ATOM 0 H ASP A 15 2.579 -7.980 -16.412 1.00 0.00 H new ATOM 0 HA ASP A 15 0.374 -6.440 -17.293 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.527 -7.016 -14.511 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.041 -6.283 -14.785 1.00 0.00 H new ATOM 228 N VAL A 16 2.868 -4.801 -15.934 1.00 0.00 N ATOM 229 CA VAL A 16 3.399 -3.495 -15.573 1.00 0.00 C ATOM 230 C VAL A 16 4.462 -3.040 -16.563 1.00 0.00 C ATOM 231 O VAL A 16 4.317 -1.999 -17.199 1.00 0.00 O ATOM 232 CB VAL A 16 3.954 -3.544 -14.136 1.00 0.00 C ATOM 233 CG1 VAL A 16 4.426 -2.158 -13.682 1.00 0.00 C ATOM 234 CG2 VAL A 16 2.895 -4.043 -13.145 1.00 0.00 C ATOM 0 H VAL A 16 3.550 -5.554 -15.844 1.00 0.00 H new ATOM 0 HA VAL A 16 2.593 -2.762 -15.612 1.00 0.00 H new ATOM 0 HB VAL A 16 4.796 -4.236 -14.147 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.813 -2.221 -12.665 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.213 -1.805 -14.349 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.588 -1.461 -13.709 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.318 -4.066 -12.141 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.036 -3.372 -13.162 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.577 -5.047 -13.427 1.00 0.00 H new ATOM 244 N LEU A 17 5.545 -3.806 -16.695 1.00 0.00 N ATOM 245 CA LEU A 17 6.656 -3.401 -17.545 1.00 0.00 C ATOM 246 C LEU A 17 6.228 -3.253 -19.002 1.00 0.00 C ATOM 247 O LEU A 17 6.709 -2.349 -19.680 1.00 0.00 O ATOM 248 CB LEU A 17 7.877 -4.309 -17.360 1.00 0.00 C ATOM 249 CG LEU A 17 8.325 -4.420 -15.889 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.567 -5.312 -15.801 1.00 0.00 C ATOM 251 CD2 LEU A 17 8.654 -3.054 -15.270 1.00 0.00 C ATOM 0 H LEU A 17 5.673 -4.703 -16.227 1.00 0.00 H new ATOM 0 HA LEU A 17 6.973 -2.409 -17.224 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.644 -5.304 -17.740 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.703 -3.925 -17.958 1.00 0.00 H new ATOM 0 HG LEU A 17 7.493 -4.849 -15.330 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.885 -5.391 -14.761 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.330 -6.304 -16.185 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.371 -4.876 -16.394 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.964 -3.189 -14.234 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.462 -2.585 -15.832 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.770 -2.417 -15.304 1.00 0.00 H new ATOM 263 N LYS A 18 5.313 -4.105 -19.487 1.00 0.00 N ATOM 264 CA LYS A 18 4.834 -3.992 -20.862 1.00 0.00 C ATOM 265 C LYS A 18 3.573 -3.122 -20.964 1.00 0.00 C ATOM 266 O LYS A 18 2.955 -3.079 -22.026 1.00 0.00 O ATOM 267 CB LYS A 18 4.640 -5.379 -21.485 1.00 0.00 C ATOM 268 CG LYS A 18 5.954 -6.163 -21.462 1.00 0.00 C ATOM 269 CD LYS A 18 5.812 -7.494 -22.214 1.00 0.00 C ATOM 270 CE LYS A 18 7.023 -8.404 -21.981 1.00 0.00 C ATOM 271 NZ LYS A 18 8.277 -7.785 -22.446 1.00 0.00 N ATOM 0 H LYS A 18 4.898 -4.868 -18.952 1.00 0.00 H new ATOM 0 HA LYS A 18 5.601 -3.478 -21.442 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.873 -5.927 -20.937 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.288 -5.278 -22.511 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.746 -5.567 -21.916 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.250 -6.353 -20.430 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.905 -8.003 -21.887 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.701 -7.300 -23.281 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.105 -8.634 -20.919 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.871 -9.350 -22.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.054 -8.471 -22.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.174 -7.496 -23.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.489 -6.950 -21.863 1.00 0.00 H new ATOM 285 N ALA A 19 3.183 -2.411 -19.895 1.00 0.00 N ATOM 286 CA ALA A 19 2.008 -1.552 -19.912 1.00 0.00 C ATOM 287 C ALA A 19 2.427 -0.101 -20.118 1.00 0.00 C ATOM 288 O ALA A 19 2.896 0.559 -19.190 1.00 0.00 O ATOM 289 CB ALA A 19 1.211 -1.712 -18.620 1.00 0.00 C ATOM 0 H ALA A 19 3.676 -2.421 -19.002 1.00 0.00 H new ATOM 0 HA ALA A 19 1.365 -1.847 -20.742 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.336 -1.063 -18.649 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.890 -2.749 -18.516 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.837 -1.439 -17.770 1.00 0.00 H new ATOM 295 N ASP A 20 2.244 0.413 -21.336 1.00 0.00 N ATOM 296 CA ASP A 20 2.573 1.784 -21.686 1.00 0.00 C ATOM 297 C ASP A 20 1.542 2.755 -21.093 1.00 0.00 C ATOM 298 O ASP A 20 0.800 3.403 -21.828 1.00 0.00 O ATOM 299 CB ASP A 20 2.675 1.908 -23.210 1.00 0.00 C ATOM 300 CG ASP A 20 3.790 1.037 -23.786 1.00 0.00 C ATOM 301 OD1 ASP A 20 4.951 1.505 -23.785 1.00 0.00 O ATOM 302 OD2 ASP A 20 3.459 -0.091 -24.208 1.00 0.00 O ATOM 0 H ASP A 20 1.858 -0.124 -22.113 1.00 0.00 H new ATOM 0 HA ASP A 20 3.539 2.052 -21.259 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.724 1.623 -23.661 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.855 2.949 -23.477 1.00 0.00 H new ATOM 307 N GLY A 21 1.479 2.850 -19.761 1.00 0.00 N ATOM 308 CA GLY A 21 0.548 3.714 -19.048 1.00 0.00 C ATOM 309 C GLY A 21 0.958 3.851 -17.582 1.00 0.00 C ATOM 310 O GLY A 21 1.946 3.254 -17.162 1.00 0.00 O ATOM 0 H GLY A 21 2.088 2.316 -19.141 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.523 4.697 -19.518 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.460 3.304 -19.113 1.00 0.00 H new ATOM 314 N ALA A 22 0.215 4.655 -16.813 1.00 0.00 N ATOM 315 CA ALA A 22 0.460 4.922 -15.401 1.00 0.00 C ATOM 316 C ALA A 22 -0.219 3.873 -14.517 1.00 0.00 C ATOM 317 O ALA A 22 -1.442 3.887 -14.385 1.00 0.00 O ATOM 318 CB ALA A 22 -0.038 6.335 -15.078 1.00 0.00 C ATOM 0 H ALA A 22 -0.600 5.152 -17.174 1.00 0.00 H new ATOM 0 HA ALA A 22 1.529 4.861 -15.195 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.138 6.551 -14.024 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.499 7.059 -15.691 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.105 6.402 -15.289 1.00 0.00 H new ATOM 324 N ILE A 23 0.567 2.973 -13.917 1.00 0.00 N ATOM 325 CA ILE A 23 0.089 1.919 -13.031 1.00 0.00 C ATOM 326 C ILE A 23 0.581 2.149 -11.597 1.00 0.00 C ATOM 327 O ILE A 23 1.778 2.040 -11.327 1.00 0.00 O ATOM 328 CB ILE A 23 0.504 0.534 -13.564 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.088 0.387 -15.042 1.00 0.00 C ATOM 330 CG2 ILE A 23 -0.095 -0.557 -12.662 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.219 -1.048 -15.472 1.00 0.00 C ATOM 0 H ILE A 23 1.579 2.962 -14.041 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.000 1.949 -13.009 1.00 0.00 H new ATOM 0 HB ILE A 23 1.588 0.425 -13.534 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.793 1.004 -15.222 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.886 0.779 -15.672 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.196 -1.539 -13.036 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.275 -0.432 -11.644 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.182 -0.475 -12.665 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.503 -1.060 -16.524 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.666 -1.668 -15.328 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.039 -1.440 -14.871 1.00 0.00 H new ATOM 343 N LEU A 24 -0.339 2.420 -10.663 1.00 0.00 N ATOM 344 CA LEU A 24 -0.027 2.540 -9.245 1.00 0.00 C ATOM 345 C LEU A 24 -0.028 1.126 -8.666 1.00 0.00 C ATOM 346 O LEU A 24 -1.091 0.582 -8.371 1.00 0.00 O ATOM 347 CB LEU A 24 -1.051 3.435 -8.528 1.00 0.00 C ATOM 348 CG LEU A 24 -0.716 3.644 -7.036 1.00 0.00 C ATOM 349 CD1 LEU A 24 0.423 4.657 -6.859 1.00 0.00 C ATOM 350 CD2 LEU A 24 -1.965 4.113 -6.281 1.00 0.00 C ATOM 0 H LEU A 24 -1.326 2.562 -10.878 1.00 0.00 H new ATOM 0 HA LEU A 24 0.946 3.010 -9.104 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.093 4.404 -9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.042 2.989 -8.615 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.384 2.691 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.636 4.783 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.316 4.293 -7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.127 5.615 -7.286 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.721 4.258 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.315 5.054 -6.706 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.749 3.361 -6.371 1.00 0.00 H new ATOM 362 N VAL A 25 1.154 0.531 -8.512 1.00 0.00 N ATOM 363 CA VAL A 25 1.304 -0.810 -7.970 1.00 0.00 C ATOM 364 C VAL A 25 1.399 -0.738 -6.450 1.00 0.00 C ATOM 365 O VAL A 25 2.339 -0.147 -5.924 1.00 0.00 O ATOM 366 CB VAL A 25 2.547 -1.512 -8.537 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.608 -2.941 -7.984 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.520 -1.583 -10.065 1.00 0.00 C ATOM 0 H VAL A 25 2.038 0.973 -8.763 1.00 0.00 H new ATOM 0 HA VAL A 25 0.430 -1.393 -8.260 1.00 0.00 H new ATOM 0 HB VAL A 25 3.421 -0.933 -8.238 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.488 -3.448 -8.381 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.669 -2.908 -6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.711 -3.485 -8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.418 -2.087 -10.422 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.639 -2.138 -10.388 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.483 -0.574 -10.476 1.00 0.00 H new ATOM 378 N ASP A 26 0.451 -1.366 -5.753 1.00 0.00 N ATOM 379 CA ASP A 26 0.417 -1.454 -4.305 1.00 0.00 C ATOM 380 C ASP A 26 0.888 -2.845 -3.881 1.00 0.00 C ATOM 381 O ASP A 26 0.146 -3.813 -4.038 1.00 0.00 O ATOM 382 CB ASP A 26 -1.009 -1.195 -3.806 1.00 0.00 C ATOM 383 CG ASP A 26 -1.150 -1.562 -2.337 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.151 -2.141 -1.925 1.00 0.00 O ATOM 385 OD2 ASP A 26 -0.121 -1.249 -1.508 1.00 0.00 O ATOM 0 H ASP A 26 -0.334 -1.839 -6.200 1.00 0.00 H new ATOM 0 HA ASP A 26 1.077 -0.704 -3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.262 -0.144 -3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.716 -1.776 -4.399 1.00 0.00 H new ATOM 391 N PHE A 27 2.085 -2.947 -3.309 1.00 0.00 N ATOM 392 CA PHE A 27 2.606 -4.194 -2.769 1.00 0.00 C ATOM 393 C PHE A 27 1.967 -4.327 -1.383 1.00 0.00 C ATOM 394 O PHE A 27 2.152 -3.430 -0.557 1.00 0.00 O ATOM 395 CB PHE A 27 4.143 -4.156 -2.699 1.00 0.00 C ATOM 396 CG PHE A 27 4.876 -4.139 -4.035 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.748 -3.045 -4.914 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.773 -5.178 -4.363 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.439 -3.030 -6.137 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.503 -5.135 -5.566 1.00 0.00 C ATOM 401 CZ PHE A 27 6.318 -4.074 -6.466 1.00 0.00 C ATOM 0 H PHE A 27 2.724 -2.158 -3.208 1.00 0.00 H new ATOM 0 HA PHE A 27 2.364 -5.053 -3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.439 -3.272 -2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.482 -5.024 -2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.114 -2.213 -4.646 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.900 -6.011 -3.687 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.293 -2.212 -6.827 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.207 -5.921 -5.797 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.849 -4.061 -7.406 1.00 0.00 H new ATOM 411 N TRP A 28 1.187 -5.391 -1.143 1.00 0.00 N ATOM 412 CA TRP A 28 0.428 -5.591 0.091 1.00 0.00 C ATOM 413 C TRP A 28 0.536 -7.015 0.641 1.00 0.00 C ATOM 414 O TRP A 28 1.041 -7.916 -0.029 1.00 0.00 O ATOM 415 CB TRP A 28 -1.052 -5.271 -0.181 1.00 0.00 C ATOM 416 CG TRP A 28 -1.781 -6.230 -1.074 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.712 -6.256 -2.419 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.698 -7.306 -0.709 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.473 -7.295 -2.911 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.117 -7.970 -1.900 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.234 -7.776 0.506 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.011 -9.051 -1.884 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.129 -8.862 0.534 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.516 -9.502 -0.655 1.00 0.00 C ATOM 0 H TRP A 28 1.067 -6.148 -1.816 1.00 0.00 H new ATOM 0 HA TRP A 28 0.851 -4.925 0.843 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.575 -5.227 0.774 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.112 -4.277 -0.623 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.144 -5.564 -3.023 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.549 -7.533 -3.900 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.954 -7.295 1.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.307 -9.530 -2.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.522 -9.207 1.479 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.199 -10.338 -0.623 1.00 0.00 H new ATOM 435 N ALA A 29 0.000 -7.209 1.854 1.00 0.00 N ATOM 436 CA ALA A 29 -0.096 -8.486 2.547 1.00 0.00 C ATOM 437 C ALA A 29 -1.361 -8.466 3.402 1.00 0.00 C ATOM 438 O ALA A 29 -1.594 -7.494 4.118 1.00 0.00 O ATOM 439 CB ALA A 29 1.118 -8.705 3.448 1.00 0.00 C ATOM 0 H ALA A 29 -0.394 -6.441 2.397 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.131 -9.295 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.026 -9.665 3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.025 -8.700 2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.171 -7.906 4.188 1.00 0.00 H new ATOM 445 N GLU A 30 -2.178 -9.519 3.333 1.00 0.00 N ATOM 446 CA GLU A 30 -3.438 -9.632 4.060 1.00 0.00 C ATOM 447 C GLU A 30 -3.326 -9.308 5.555 1.00 0.00 C ATOM 448 O GLU A 30 -4.218 -8.686 6.123 1.00 0.00 O ATOM 449 CB GLU A 30 -4.093 -11.003 3.802 1.00 0.00 C ATOM 450 CG GLU A 30 -3.279 -12.239 4.230 1.00 0.00 C ATOM 451 CD GLU A 30 -2.046 -12.533 3.375 1.00 0.00 C ATOM 452 OE1 GLU A 30 -2.015 -12.062 2.216 1.00 0.00 O ATOM 453 OE2 GLU A 30 -1.143 -13.214 3.905 1.00 0.00 O ATOM 0 H GLU A 30 -1.974 -10.335 2.755 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.096 -8.859 3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.051 -11.028 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.306 -11.086 2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.961 -12.105 5.264 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.933 -13.111 4.208 1.00 0.00 H new ATOM 460 N TRP A 31 -2.238 -9.734 6.198 1.00 0.00 N ATOM 461 CA TRP A 31 -2.016 -9.498 7.621 1.00 0.00 C ATOM 462 C TRP A 31 -1.559 -8.062 7.908 1.00 0.00 C ATOM 463 O TRP A 31 -1.673 -7.591 9.039 1.00 0.00 O ATOM 464 CB TRP A 31 -0.992 -10.513 8.142 1.00 0.00 C ATOM 465 CG TRP A 31 0.303 -10.563 7.388 1.00 0.00 C ATOM 466 CD1 TRP A 31 0.604 -11.457 6.420 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.464 -9.678 7.489 1.00 0.00 C ATOM 468 NE1 TRP A 31 1.851 -11.179 5.905 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.424 -10.082 6.515 1.00 0.00 C ATOM 470 CE3 TRP A 31 1.798 -8.570 8.296 1.00 0.00 C ATOM 471 CZ2 TRP A 31 3.640 -9.408 6.332 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.020 -7.892 8.131 1.00 0.00 C ATOM 473 CH2 TRP A 31 3.940 -8.309 7.152 1.00 0.00 C ATOM 0 H TRP A 31 -1.486 -10.253 5.744 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.964 -9.629 8.143 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -0.777 -10.284 9.186 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.444 -11.504 8.120 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.036 -12.266 6.099 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.297 -11.719 5.163 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.104 -8.236 9.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.336 -9.730 5.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.253 -7.046 8.760 1.00 0.00 H new ATOM 0 HH2 TRP A 31 4.876 -7.784 7.031 1.00 0.00 H new ATOM 484 N CYS A 32 -1.034 -7.350 6.907 1.00 0.00 N ATOM 485 CA CYS A 32 -0.516 -6.004 7.105 1.00 0.00 C ATOM 486 C CYS A 32 -1.660 -4.993 7.141 1.00 0.00 C ATOM 487 O CYS A 32 -1.885 -4.272 6.174 1.00 0.00 O ATOM 488 CB CYS A 32 0.530 -5.683 6.035 1.00 0.00 C ATOM 489 SG CYS A 32 1.088 -3.973 6.221 1.00 0.00 S ATOM 0 H CYS A 32 -0.959 -7.690 5.948 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.015 -5.941 8.071 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.377 -6.364 6.125 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.106 -5.831 5.042 1.00 0.00 H new ATOM 0 HG CYS A 32 0.057 -3.184 6.277 1.00 0.00 H new ATOM 495 N GLY A 33 -2.371 -4.957 8.274 1.00 0.00 N ATOM 496 CA GLY A 33 -3.500 -4.081 8.597 1.00 0.00 C ATOM 497 C GLY A 33 -3.718 -2.900 7.639 1.00 0.00 C ATOM 498 O GLY A 33 -4.701 -2.906 6.897 1.00 0.00 O ATOM 0 H GLY A 33 -2.155 -5.587 9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.409 -4.682 8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.355 -3.688 9.603 1.00 0.00 H new ATOM 502 N PRO A 34 -2.822 -1.894 7.637 1.00 0.00 N ATOM 503 CA PRO A 34 -2.898 -0.716 6.779 1.00 0.00 C ATOM 504 C PRO A 34 -3.318 -1.001 5.333 1.00 0.00 C ATOM 505 O PRO A 34 -4.093 -0.240 4.759 1.00 0.00 O ATOM 506 CB PRO A 34 -1.515 -0.070 6.856 1.00 0.00 C ATOM 507 CG PRO A 34 -1.078 -0.404 8.282 1.00 0.00 C ATOM 508 CD PRO A 34 -1.640 -1.811 8.486 1.00 0.00 C ATOM 0 HA PRO A 34 -3.689 -0.055 7.133 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.832 -0.483 6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.559 1.006 6.686 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.007 -0.382 8.389 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.484 0.303 9.006 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.907 -2.569 8.210 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.897 -1.982 9.531 1.00 0.00 H new ATOM 516 N CYS A 35 -2.847 -2.104 4.745 1.00 0.00 N ATOM 517 CA CYS A 35 -3.199 -2.531 3.396 1.00 0.00 C ATOM 518 C CYS A 35 -4.719 -2.547 3.216 1.00 0.00 C ATOM 519 O CYS A 35 -5.252 -2.019 2.241 1.00 0.00 O ATOM 520 CB CYS A 35 -2.656 -3.943 3.133 1.00 0.00 C ATOM 521 SG CYS A 35 -0.845 -3.945 3.091 1.00 0.00 S ATOM 0 H CYS A 35 -2.195 -2.737 5.208 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.758 -1.826 2.692 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.006 -4.622 3.911 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.046 -4.316 2.186 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.383 -3.868 4.304 1.00 0.00 H new ATOM 527 N LYS A 36 -5.419 -3.140 4.183 1.00 0.00 N ATOM 528 CA LYS A 36 -6.869 -3.253 4.173 1.00 0.00 C ATOM 529 C LYS A 36 -7.517 -1.888 4.405 1.00 0.00 C ATOM 530 O LYS A 36 -8.611 -1.641 3.904 1.00 0.00 O ATOM 531 CB LYS A 36 -7.308 -4.288 5.212 1.00 0.00 C ATOM 532 CG LYS A 36 -6.780 -5.679 4.833 1.00 0.00 C ATOM 533 CD LYS A 36 -7.001 -6.723 5.934 1.00 0.00 C ATOM 534 CE LYS A 36 -6.157 -6.413 7.176 1.00 0.00 C ATOM 535 NZ LYS A 36 -6.018 -7.595 8.041 1.00 0.00 N ATOM 0 H LYS A 36 -4.984 -3.560 5.005 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.204 -3.597 3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.935 -4.006 6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.396 -4.310 5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.273 -6.012 3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.715 -5.610 4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.056 -6.749 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.745 -7.713 5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.170 -6.067 6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.619 -5.601 7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.654 -7.304 8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.946 -8.050 8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.356 -8.268 7.605 1.00 0.00 H new ATOM 549 N MET A 37 -6.841 -0.989 5.125 1.00 0.00 N ATOM 550 CA MET A 37 -7.344 0.355 5.359 1.00 0.00 C ATOM 551 C MET A 37 -7.265 1.163 4.062 1.00 0.00 C ATOM 552 O MET A 37 -8.206 1.878 3.726 1.00 0.00 O ATOM 553 CB MET A 37 -6.588 1.038 6.507 1.00 0.00 C ATOM 554 CG MET A 37 -6.600 0.215 7.804 1.00 0.00 C ATOM 555 SD MET A 37 -8.219 -0.292 8.447 1.00 0.00 S ATOM 556 CE MET A 37 -8.992 1.317 8.728 1.00 0.00 C ATOM 0 H MET A 37 -5.936 -1.176 5.557 1.00 0.00 H new ATOM 0 HA MET A 37 -8.389 0.298 5.665 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.556 1.212 6.203 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.033 2.014 6.698 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.005 -0.683 7.640 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.096 0.795 8.577 1.00 0.00 H new ATOM 0 HE1 MET A 37 -9.976 1.175 9.174 1.00 0.00 H new ATOM 0 HE2 MET A 37 -8.370 1.907 9.401 1.00 0.00 H new ATOM 0 HE3 MET A 37 -9.097 1.841 7.778 1.00 0.00 H new ATOM 566 N ILE A 38 -6.154 1.055 3.325 1.00 0.00 N ATOM 567 CA ILE A 38 -6.008 1.778 2.066 1.00 0.00 C ATOM 568 C ILE A 38 -6.798 1.123 0.931 1.00 0.00 C ATOM 569 O ILE A 38 -7.189 1.827 0.008 1.00 0.00 O ATOM 570 CB ILE A 38 -4.542 2.047 1.685 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.765 0.763 1.368 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.852 2.862 2.785 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.432 1.054 0.676 1.00 0.00 C ATOM 0 H ILE A 38 -5.352 0.478 3.579 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.450 2.761 2.232 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.546 2.630 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.581 0.213 2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.372 0.121 0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.815 3.047 2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.369 3.813 2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.881 2.306 3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.916 0.116 0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.616 1.580 -0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.813 1.674 1.325 1.00 0.00 H new ATOM 585 N ALA A 39 -7.031 -0.196 0.967 1.00 0.00 N ATOM 586 CA ALA A 39 -7.796 -0.909 -0.058 1.00 0.00 C ATOM 587 C ALA A 39 -9.008 -0.115 -0.596 1.00 0.00 C ATOM 588 O ALA A 39 -9.037 0.158 -1.795 1.00 0.00 O ATOM 589 CB ALA A 39 -8.174 -2.314 0.423 1.00 0.00 C ATOM 0 H ALA A 39 -6.690 -0.800 1.715 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.138 -1.017 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.742 -2.824 -0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.268 -2.880 0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.781 -2.239 1.325 1.00 0.00 H new ATOM 595 N PRO A 40 -9.990 0.290 0.231 1.00 0.00 N ATOM 596 CA PRO A 40 -11.120 1.084 -0.235 1.00 0.00 C ATOM 597 C PRO A 40 -10.667 2.384 -0.906 1.00 0.00 C ATOM 598 O PRO A 40 -11.203 2.752 -1.947 1.00 0.00 O ATOM 599 CB PRO A 40 -12.003 1.347 0.988 1.00 0.00 C ATOM 600 CG PRO A 40 -11.056 1.144 2.168 1.00 0.00 C ATOM 601 CD PRO A 40 -10.111 0.059 1.660 1.00 0.00 C ATOM 0 HA PRO A 40 -11.678 0.547 -1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.416 2.356 0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.847 0.658 1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.522 2.060 2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.589 0.829 3.065 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.140 0.122 2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.508 -0.935 1.865 1.00 0.00 H new ATOM 609 N ILE A 41 -9.660 3.065 -0.348 1.00 0.00 N ATOM 610 CA ILE A 41 -9.130 4.290 -0.935 1.00 0.00 C ATOM 611 C ILE A 41 -8.649 3.974 -2.353 1.00 0.00 C ATOM 612 O ILE A 41 -9.049 4.634 -3.307 1.00 0.00 O ATOM 613 CB ILE A 41 -8.006 4.908 -0.077 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.413 5.020 1.404 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.644 6.293 -0.635 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.302 5.625 2.262 1.00 0.00 C ATOM 0 H ILE A 41 -9.196 2.782 0.515 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.919 5.041 -0.972 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.138 4.250 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.310 5.634 1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.667 4.031 1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.850 6.732 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.303 6.192 -1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.522 6.938 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.634 5.684 3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.413 4.997 2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.066 6.625 1.899 1.00 0.00 H new ATOM 628 N LEU A 42 -7.811 2.944 -2.498 1.00 0.00 N ATOM 629 CA LEU A 42 -7.297 2.504 -3.786 1.00 0.00 C ATOM 630 C LEU A 42 -8.449 2.170 -4.737 1.00 0.00 C ATOM 631 O LEU A 42 -8.422 2.566 -5.900 1.00 0.00 O ATOM 632 CB LEU A 42 -6.338 1.317 -3.599 1.00 0.00 C ATOM 633 CG LEU A 42 -4.988 1.705 -2.974 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.272 0.428 -2.528 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.085 2.443 -3.970 1.00 0.00 C ATOM 0 H LEU A 42 -7.470 2.390 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.728 3.315 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.819 0.569 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.159 0.850 -4.567 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.184 2.371 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.312 0.686 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.884 -0.095 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.109 -0.218 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.142 2.698 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.890 1.801 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.580 3.355 -4.303 1.00 0.00 H new ATOM 647 N ASP A 43 -9.473 1.462 -4.251 1.00 0.00 N ATOM 648 CA ASP A 43 -10.643 1.114 -5.052 1.00 0.00 C ATOM 649 C ASP A 43 -11.319 2.380 -5.581 1.00 0.00 C ATOM 650 O ASP A 43 -11.616 2.483 -6.771 1.00 0.00 O ATOM 651 CB ASP A 43 -11.638 0.272 -4.239 1.00 0.00 C ATOM 652 CG ASP A 43 -11.085 -1.074 -3.772 1.00 0.00 C ATOM 653 OD1 ASP A 43 -10.353 -1.704 -4.566 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.430 -1.467 -2.638 1.00 0.00 O ATOM 0 H ASP A 43 -9.511 1.116 -3.292 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.309 0.515 -5.899 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.954 0.845 -3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.527 0.096 -4.844 1.00 0.00 H new ATOM 659 N GLU A 44 -11.549 3.354 -4.696 1.00 0.00 N ATOM 660 CA GLU A 44 -12.164 4.619 -5.067 1.00 0.00 C ATOM 661 C GLU A 44 -11.290 5.328 -6.103 1.00 0.00 C ATOM 662 O GLU A 44 -11.772 5.690 -7.170 1.00 0.00 O ATOM 663 CB GLU A 44 -12.402 5.474 -3.820 1.00 0.00 C ATOM 664 CG GLU A 44 -13.497 4.871 -2.932 1.00 0.00 C ATOM 665 CD GLU A 44 -13.583 5.593 -1.592 1.00 0.00 C ATOM 666 OE1 GLU A 44 -12.746 5.277 -0.719 1.00 0.00 O ATOM 667 OE2 GLU A 44 -14.466 6.468 -1.472 1.00 0.00 O ATOM 0 H GLU A 44 -11.313 3.282 -3.706 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.138 4.442 -5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.476 5.558 -3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.687 6.483 -4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.458 4.933 -3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.292 3.814 -2.765 1.00 0.00 H new ATOM 674 N ILE A 45 -9.999 5.493 -5.810 1.00 0.00 N ATOM 675 CA ILE A 45 -9.026 6.109 -6.705 1.00 0.00 C ATOM 676 C ILE A 45 -9.093 5.463 -8.093 1.00 0.00 C ATOM 677 O ILE A 45 -9.139 6.169 -9.102 1.00 0.00 O ATOM 678 CB ILE A 45 -7.627 6.006 -6.075 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.474 6.953 -4.870 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.489 6.212 -7.083 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.409 8.447 -5.199 1.00 0.00 C ATOM 0 H ILE A 45 -9.595 5.194 -4.923 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.257 7.166 -6.841 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.541 4.980 -5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.311 6.786 -4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.567 6.680 -4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.530 6.126 -6.572 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.553 5.454 -7.864 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.574 7.202 -7.531 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.301 9.018 -4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.554 8.640 -5.847 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.325 8.748 -5.707 1.00 0.00 H new ATOM 693 N ALA A 46 -9.112 4.126 -8.139 1.00 0.00 N ATOM 694 CA ALA A 46 -9.196 3.369 -9.381 1.00 0.00 C ATOM 695 C ALA A 46 -10.404 3.809 -10.205 1.00 0.00 C ATOM 696 O ALA A 46 -10.320 3.878 -11.430 1.00 0.00 O ATOM 697 CB ALA A 46 -9.247 1.867 -9.089 1.00 0.00 C ATOM 0 H ALA A 46 -9.069 3.540 -7.305 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.301 3.571 -9.969 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.310 1.316 -10.027 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.346 1.570 -8.553 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.122 1.645 -8.478 1.00 0.00 H new ATOM 703 N ASP A 47 -11.522 4.119 -9.543 1.00 0.00 N ATOM 704 CA ASP A 47 -12.709 4.616 -10.220 1.00 0.00 C ATOM 705 C ASP A 47 -12.502 6.079 -10.631 1.00 0.00 C ATOM 706 O ASP A 47 -12.631 6.421 -11.803 1.00 0.00 O ATOM 707 CB ASP A 47 -13.939 4.456 -9.322 1.00 0.00 C ATOM 708 CG ASP A 47 -15.199 4.898 -10.055 1.00 0.00 C ATOM 709 OD1 ASP A 47 -15.688 4.093 -10.876 1.00 0.00 O ATOM 710 OD2 ASP A 47 -15.643 6.035 -9.785 1.00 0.00 O ATOM 0 H ASP A 47 -11.624 4.031 -8.532 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.880 4.031 -11.124 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.038 3.415 -9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.813 5.047 -8.415 1.00 0.00 H new ATOM 715 N GLU A 48 -12.168 6.938 -9.661 1.00 0.00 N ATOM 716 CA GLU A 48 -11.950 8.371 -9.839 1.00 0.00 C ATOM 717 C GLU A 48 -11.084 8.678 -11.060 1.00 0.00 C ATOM 718 O GLU A 48 -11.450 9.511 -11.887 1.00 0.00 O ATOM 719 CB GLU A 48 -11.293 8.957 -8.583 1.00 0.00 C ATOM 720 CG GLU A 48 -12.238 8.977 -7.374 1.00 0.00 C ATOM 721 CD GLU A 48 -11.486 9.355 -6.102 1.00 0.00 C ATOM 722 OE1 GLU A 48 -11.009 10.509 -6.053 1.00 0.00 O ATOM 723 OE2 GLU A 48 -11.385 8.487 -5.209 1.00 0.00 O ATOM 0 H GLU A 48 -12.038 6.638 -8.695 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.925 8.830 -10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.406 8.373 -8.336 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.958 9.973 -8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.045 9.689 -7.550 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.699 7.997 -7.251 1.00 0.00 H new ATOM 730 N TYR A 49 -9.927 8.022 -11.157 1.00 0.00 N ATOM 731 CA TYR A 49 -8.988 8.229 -12.251 1.00 0.00 C ATOM 732 C TYR A 49 -9.085 7.112 -13.299 1.00 0.00 C ATOM 733 O TYR A 49 -8.127 6.892 -14.040 1.00 0.00 O ATOM 734 CB TYR A 49 -7.566 8.332 -11.679 1.00 0.00 C ATOM 735 CG TYR A 49 -7.244 9.605 -10.919 1.00 0.00 C ATOM 736 CD1 TYR A 49 -6.780 10.727 -11.630 1.00 0.00 C ATOM 737 CD2 TYR A 49 -7.187 9.602 -9.514 1.00 0.00 C ATOM 738 CE1 TYR A 49 -6.197 11.804 -10.944 1.00 0.00 C ATOM 739 CE2 TYR A 49 -6.570 10.665 -8.828 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.036 11.749 -9.550 1.00 0.00 C ATOM 741 OH TYR A 49 -5.322 12.741 -8.946 1.00 0.00 O ATOM 0 H TYR A 49 -9.617 7.330 -10.474 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.240 9.159 -12.761 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.401 7.484 -11.014 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.857 8.235 -12.501 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.873 10.760 -12.706 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.618 8.782 -8.960 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.871 12.677 -11.490 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.506 10.649 -7.750 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.896 12.391 -8.136 1.00 0.00 H new ATOM 751 N GLN A 50 -10.213 6.400 -13.399 1.00 0.00 N ATOM 752 CA GLN A 50 -10.330 5.320 -14.371 1.00 0.00 C ATOM 753 C GLN A 50 -10.024 5.828 -15.781 1.00 0.00 C ATOM 754 O GLN A 50 -10.537 6.864 -16.201 1.00 0.00 O ATOM 755 CB GLN A 50 -11.722 4.675 -14.287 1.00 0.00 C ATOM 756 CG GLN A 50 -11.882 3.428 -15.171 1.00 0.00 C ATOM 757 CD GLN A 50 -10.897 2.293 -14.884 1.00 0.00 C ATOM 758 OE1 GLN A 50 -10.640 1.476 -15.761 1.00 0.00 O ATOM 759 NE2 GLN A 50 -10.323 2.214 -13.687 1.00 0.00 N ATOM 0 H GLN A 50 -11.043 6.552 -12.826 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.594 4.551 -14.135 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.924 4.403 -13.251 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.472 5.412 -14.575 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.896 3.046 -15.052 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.774 3.726 -16.214 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.547 2.901 -12.968 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.659 1.466 -13.488 1.00 0.00 H new ATOM 768 N GLY A 51 -9.148 5.120 -16.500 1.00 0.00 N ATOM 769 CA GLY A 51 -8.734 5.500 -17.845 1.00 0.00 C ATOM 770 C GLY A 51 -7.571 6.498 -17.844 1.00 0.00 C ATOM 771 O GLY A 51 -6.878 6.618 -18.849 1.00 0.00 O ATOM 0 H GLY A 51 -8.707 4.265 -16.160 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.441 4.607 -18.397 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.582 5.937 -18.372 1.00 0.00 H new ATOM 775 N LYS A 52 -7.340 7.199 -16.728 1.00 0.00 N ATOM 776 CA LYS A 52 -6.263 8.171 -16.577 1.00 0.00 C ATOM 777 C LYS A 52 -5.101 7.509 -15.834 1.00 0.00 C ATOM 778 O LYS A 52 -3.937 7.699 -16.184 1.00 0.00 O ATOM 779 CB LYS A 52 -6.779 9.391 -15.797 1.00 0.00 C ATOM 780 CG LYS A 52 -8.076 9.962 -16.390 1.00 0.00 C ATOM 781 CD LYS A 52 -8.536 11.178 -15.579 1.00 0.00 C ATOM 782 CE LYS A 52 -9.879 11.692 -16.109 1.00 0.00 C ATOM 783 NZ LYS A 52 -10.368 12.830 -15.311 1.00 0.00 N ATOM 0 H LYS A 52 -7.912 7.101 -15.889 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.917 8.507 -17.555 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.952 9.108 -14.759 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.013 10.166 -15.793 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.915 10.248 -17.429 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.853 9.198 -16.387 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.631 10.908 -14.527 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.787 11.968 -15.638 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.770 11.995 -17.150 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.614 10.887 -16.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.278 13.156 -15.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.494 12.532 -14.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.677 13.606 -15.353 1.00 0.00 H new ATOM 797 N LEU A 53 -5.434 6.722 -14.810 1.00 0.00 N ATOM 798 CA LEU A 53 -4.518 5.977 -13.968 1.00 0.00 C ATOM 799 C LEU A 53 -5.072 4.564 -13.839 1.00 0.00 C ATOM 800 O LEU A 53 -6.284 4.380 -13.729 1.00 0.00 O ATOM 801 CB LEU A 53 -4.494 6.635 -12.582 1.00 0.00 C ATOM 802 CG LEU A 53 -3.576 5.971 -11.550 1.00 0.00 C ATOM 803 CD1 LEU A 53 -2.100 6.284 -11.816 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.971 6.472 -10.161 1.00 0.00 C ATOM 0 H LEU A 53 -6.407 6.585 -14.537 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.512 5.962 -14.386 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.188 7.675 -12.698 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.510 6.644 -12.186 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.695 4.890 -11.619 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.483 5.795 -11.062 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.823 5.919 -12.805 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.943 7.362 -11.770 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.328 6.010 -9.411 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.857 7.555 -10.119 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.009 6.208 -9.961 1.00 0.00 H new ATOM 816 N THR A 54 -4.182 3.576 -13.797 1.00 0.00 N ATOM 817 CA THR A 54 -4.518 2.190 -13.532 1.00 0.00 C ATOM 818 C THR A 54 -4.013 1.916 -12.117 1.00 0.00 C ATOM 819 O THR A 54 -2.938 2.383 -11.749 1.00 0.00 O ATOM 820 CB THR A 54 -3.825 1.303 -14.571 1.00 0.00 C ATOM 821 OG1 THR A 54 -4.271 1.668 -15.859 1.00 0.00 O ATOM 822 CG2 THR A 54 -4.091 -0.188 -14.356 1.00 0.00 C ATOM 0 H THR A 54 -3.185 3.726 -13.951 1.00 0.00 H new ATOM 0 HA THR A 54 -5.586 1.983 -13.601 1.00 0.00 H new ATOM 0 HB THR A 54 -2.752 1.459 -14.464 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.830 1.105 -16.529 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.574 -0.764 -15.123 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.727 -0.484 -13.372 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.162 -0.379 -14.419 1.00 0.00 H new ATOM 830 N VAL A 55 -4.769 1.167 -11.317 1.00 0.00 N ATOM 831 CA VAL A 55 -4.371 0.810 -9.965 1.00 0.00 C ATOM 832 C VAL A 55 -4.136 -0.696 -9.977 1.00 0.00 C ATOM 833 O VAL A 55 -4.872 -1.430 -10.636 1.00 0.00 O ATOM 834 CB VAL A 55 -5.450 1.247 -8.966 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.070 0.859 -7.532 1.00 0.00 C ATOM 836 CG2 VAL A 55 -5.632 2.770 -9.014 1.00 0.00 C ATOM 0 H VAL A 55 -5.676 0.792 -11.593 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.460 1.317 -9.648 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.374 0.742 -9.247 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.854 1.182 -6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.954 -0.223 -7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.131 1.341 -7.261 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.400 3.067 -8.300 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.691 3.257 -8.758 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.934 3.069 -10.018 1.00 0.00 H new ATOM 846 N ALA A 56 -3.102 -1.161 -9.279 1.00 0.00 N ATOM 847 CA ALA A 56 -2.761 -2.567 -9.236 1.00 0.00 C ATOM 848 C ALA A 56 -2.402 -2.959 -7.807 1.00 0.00 C ATOM 849 O ALA A 56 -1.895 -2.135 -7.047 1.00 0.00 O ATOM 850 CB ALA A 56 -1.631 -2.839 -10.226 1.00 0.00 C ATOM 0 H ALA A 56 -2.481 -0.567 -8.729 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.610 -3.182 -9.533 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.370 -3.897 -10.198 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.956 -2.572 -11.232 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.759 -2.243 -9.956 1.00 0.00 H new ATOM 856 N LYS A 57 -2.668 -4.211 -7.440 1.00 0.00 N ATOM 857 CA LYS A 57 -2.383 -4.756 -6.122 1.00 0.00 C ATOM 858 C LYS A 57 -1.554 -6.021 -6.298 1.00 0.00 C ATOM 859 O LYS A 57 -1.908 -6.879 -7.101 1.00 0.00 O ATOM 860 CB LYS A 57 -3.689 -5.052 -5.368 1.00 0.00 C ATOM 861 CG LYS A 57 -4.156 -3.843 -4.546 1.00 0.00 C ATOM 862 CD LYS A 57 -5.422 -4.193 -3.751 1.00 0.00 C ATOM 863 CE LYS A 57 -5.824 -3.077 -2.780 1.00 0.00 C ATOM 864 NZ LYS A 57 -4.886 -2.965 -1.646 1.00 0.00 N ATOM 0 H LYS A 57 -3.098 -4.888 -8.070 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.824 -4.032 -5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.466 -5.330 -6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.542 -5.907 -4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.365 -3.532 -3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.356 -3.000 -5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.242 -4.383 -4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.255 -5.115 -3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.861 -2.128 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.828 -3.270 -2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.265 -2.295 -0.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.765 -3.898 -1.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.966 -2.623 -1.989 1.00 0.00 H new ATOM 878 N LEU A 58 -0.455 -6.141 -5.552 1.00 0.00 N ATOM 879 CA LEU A 58 0.432 -7.289 -5.602 1.00 0.00 C ATOM 880 C LEU A 58 0.552 -7.906 -4.211 1.00 0.00 C ATOM 881 O LEU A 58 1.048 -7.259 -3.288 1.00 0.00 O ATOM 882 CB LEU A 58 1.779 -6.849 -6.178 1.00 0.00 C ATOM 883 CG LEU A 58 2.688 -8.068 -6.413 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.548 -7.807 -7.644 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.619 -8.343 -5.227 1.00 0.00 C ATOM 0 H LEU A 58 -0.157 -5.427 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 58 0.032 -8.064 -6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.624 -6.317 -7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.264 -6.153 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 58 2.044 -8.937 -6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.198 -8.664 -7.822 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.905 -7.652 -8.511 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.157 -6.918 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.238 -9.213 -5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.258 -7.476 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.024 -8.536 -4.334 1.00 0.00 H new ATOM 897 N ASN A 59 0.094 -9.152 -4.056 1.00 0.00 N ATOM 898 CA ASN A 59 0.172 -9.854 -2.782 1.00 0.00 C ATOM 899 C ASN A 59 1.584 -10.411 -2.601 1.00 0.00 C ATOM 900 O ASN A 59 1.966 -11.368 -3.284 1.00 0.00 O ATOM 901 CB ASN A 59 -0.864 -10.975 -2.709 1.00 0.00 C ATOM 902 CG ASN A 59 -0.791 -11.630 -1.334 1.00 0.00 C ATOM 903 OD1 ASN A 59 0.028 -12.512 -1.108 1.00 0.00 O ATOM 904 ND2 ASN A 59 -1.631 -11.200 -0.398 1.00 0.00 N ATOM 0 H ASN A 59 -0.336 -9.694 -4.805 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.047 -9.153 -1.976 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.863 -10.576 -2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.675 -11.713 -3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.604 -11.606 0.537 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.303 -10.464 -0.615 1.00 0.00 H new ATOM 911 N ILE A 60 2.357 -9.805 -1.700 1.00 0.00 N ATOM 912 CA ILE A 60 3.742 -10.177 -1.450 1.00 0.00 C ATOM 913 C ILE A 60 3.884 -11.569 -0.832 1.00 0.00 C ATOM 914 O ILE A 60 4.886 -12.233 -1.071 1.00 0.00 O ATOM 915 CB ILE A 60 4.460 -9.110 -0.605 1.00 0.00 C ATOM 916 CG1 ILE A 60 3.902 -9.022 0.828 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.392 -7.742 -1.296 1.00 0.00 C ATOM 918 CD1 ILE A 60 4.809 -9.730 1.840 1.00 0.00 C ATOM 0 H ILE A 60 2.031 -9.033 -1.118 1.00 0.00 H new ATOM 0 HA ILE A 60 4.230 -10.225 -2.423 1.00 0.00 H new ATOM 0 HB ILE A 60 5.503 -9.415 -0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.791 -7.975 1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.908 -9.467 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.905 -7.000 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.873 -7.803 -2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.350 -7.450 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.378 -9.644 2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.899 -10.783 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.796 -9.268 1.830 1.00 0.00 H new ATOM 930 N ASP A 61 2.912 -12.028 -0.036 1.00 0.00 N ATOM 931 CA ASP A 61 3.004 -13.346 0.592 1.00 0.00 C ATOM 932 C ASP A 61 3.106 -14.414 -0.491 1.00 0.00 C ATOM 933 O ASP A 61 3.981 -15.274 -0.461 1.00 0.00 O ATOM 934 CB ASP A 61 1.802 -13.614 1.505 1.00 0.00 C ATOM 935 CG ASP A 61 1.644 -12.518 2.544 1.00 0.00 C ATOM 936 OD1 ASP A 61 2.269 -12.646 3.618 1.00 0.00 O ATOM 937 OD2 ASP A 61 0.923 -11.549 2.222 1.00 0.00 O ATOM 0 H ASP A 61 2.061 -11.511 0.186 1.00 0.00 H new ATOM 0 HA ASP A 61 3.898 -13.375 1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.895 -13.683 0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.928 -14.575 2.003 1.00 0.00 H new ATOM 942 N GLN A 62 2.199 -14.330 -1.462 1.00 0.00 N ATOM 943 CA GLN A 62 2.164 -15.213 -2.611 1.00 0.00 C ATOM 944 C GLN A 62 3.353 -14.922 -3.532 1.00 0.00 C ATOM 945 O GLN A 62 3.884 -15.835 -4.157 1.00 0.00 O ATOM 946 CB GLN A 62 0.841 -14.985 -3.350 1.00 0.00 C ATOM 947 CG GLN A 62 -0.358 -15.393 -2.487 1.00 0.00 C ATOM 948 CD GLN A 62 -1.670 -14.920 -3.102 1.00 0.00 C ATOM 949 OE1 GLN A 62 -1.966 -15.214 -4.255 1.00 0.00 O ATOM 950 NE2 GLN A 62 -2.467 -14.164 -2.350 1.00 0.00 N ATOM 0 H GLN A 62 1.456 -13.631 -1.466 1.00 0.00 H new ATOM 0 HA GLN A 62 2.233 -16.253 -2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.752 -13.934 -3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.836 -15.559 -4.277 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.376 -16.477 -2.375 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.250 -14.972 -1.488 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.198 -13.934 -1.394 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.347 -13.815 -2.730 1.00 0.00 H new ATOM 959 N ASN A 63 3.741 -13.645 -3.650 1.00 0.00 N ATOM 960 CA ASN A 63 4.788 -13.192 -4.564 1.00 0.00 C ATOM 961 C ASN A 63 5.934 -12.494 -3.825 1.00 0.00 C ATOM 962 O ASN A 63 6.086 -11.275 -3.949 1.00 0.00 O ATOM 963 CB ASN A 63 4.142 -12.251 -5.583 1.00 0.00 C ATOM 964 CG ASN A 63 3.012 -12.950 -6.319 1.00 0.00 C ATOM 965 OD1 ASN A 63 3.244 -13.687 -7.271 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.776 -12.725 -5.894 1.00 0.00 N ATOM 0 H ASN A 63 3.328 -12.890 -3.103 1.00 0.00 H new ATOM 0 HA ASN A 63 5.230 -14.054 -5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.759 -11.365 -5.076 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.892 -11.910 -6.297 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.987 -13.170 -6.362 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.615 -12.107 -5.099 1.00 0.00 H new ATOM 973 N PRO A 64 6.754 -13.236 -3.064 1.00 0.00 N ATOM 974 CA PRO A 64 7.829 -12.656 -2.279 1.00 0.00 C ATOM 975 C PRO A 64 8.884 -11.971 -3.144 1.00 0.00 C ATOM 976 O PRO A 64 9.204 -10.817 -2.886 1.00 0.00 O ATOM 977 CB PRO A 64 8.402 -13.800 -1.437 1.00 0.00 C ATOM 978 CG PRO A 64 8.009 -15.062 -2.205 1.00 0.00 C ATOM 979 CD PRO A 64 6.682 -14.673 -2.854 1.00 0.00 C ATOM 0 HA PRO A 64 7.456 -11.856 -1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.484 -13.716 -1.335 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.986 -13.801 -0.430 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.758 -15.331 -2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.897 -15.919 -1.541 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.538 -15.200 -3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.841 -14.933 -2.212 1.00 0.00 H new ATOM 987 N GLY A 65 9.422 -12.672 -4.150 1.00 0.00 N ATOM 988 CA GLY A 65 10.476 -12.196 -5.048 1.00 0.00 C ATOM 989 C GLY A 65 10.340 -10.726 -5.455 1.00 0.00 C ATOM 990 O GLY A 65 11.317 -9.975 -5.462 1.00 0.00 O ATOM 0 H GLY A 65 9.122 -13.622 -4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.442 -12.339 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.476 -12.812 -5.948 1.00 0.00 H new ATOM 994 N THR A 66 9.124 -10.308 -5.800 1.00 0.00 N ATOM 995 CA THR A 66 8.824 -8.951 -6.210 1.00 0.00 C ATOM 996 C THR A 66 9.307 -7.900 -5.197 1.00 0.00 C ATOM 997 O THR A 66 9.717 -6.811 -5.596 1.00 0.00 O ATOM 998 CB THR A 66 7.330 -8.852 -6.567 1.00 0.00 C ATOM 999 OG1 THR A 66 6.674 -10.094 -6.358 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.210 -8.485 -8.051 1.00 0.00 C ATOM 0 H THR A 66 8.308 -10.920 -5.800 1.00 0.00 H new ATOM 0 HA THR A 66 9.393 -8.712 -7.109 1.00 0.00 H new ATOM 0 HB THR A 66 6.866 -8.097 -5.932 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.600 -10.267 -5.396 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.157 -8.410 -8.323 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.700 -7.528 -8.230 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.687 -9.256 -8.656 1.00 0.00 H new ATOM 1008 N ALA A 67 9.297 -8.218 -3.897 1.00 0.00 N ATOM 1009 CA ALA A 67 9.768 -7.307 -2.862 1.00 0.00 C ATOM 1010 C ALA A 67 11.238 -6.910 -3.081 1.00 0.00 C ATOM 1011 O ALA A 67 11.482 -5.748 -3.405 1.00 0.00 O ATOM 1012 CB ALA A 67 9.449 -7.847 -1.462 1.00 0.00 C ATOM 0 H ALA A 67 8.962 -9.113 -3.540 1.00 0.00 H new ATOM 0 HA ALA A 67 9.215 -6.371 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.812 -7.146 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.371 -7.967 -1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.937 -8.812 -1.324 1.00 0.00 H new ATOM 1018 N PRO A 68 12.231 -7.810 -2.938 1.00 0.00 N ATOM 1019 CA PRO A 68 13.617 -7.460 -3.196 1.00 0.00 C ATOM 1020 C PRO A 68 13.815 -6.983 -4.637 1.00 0.00 C ATOM 1021 O PRO A 68 14.591 -6.053 -4.845 1.00 0.00 O ATOM 1022 CB PRO A 68 14.451 -8.698 -2.859 1.00 0.00 C ATOM 1023 CG PRO A 68 13.456 -9.847 -2.992 1.00 0.00 C ATOM 1024 CD PRO A 68 12.145 -9.203 -2.544 1.00 0.00 C ATOM 0 HA PRO A 68 13.935 -6.620 -2.578 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.291 -8.814 -3.543 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.865 -8.641 -1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.397 -10.217 -4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.728 -10.694 -2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.290 -9.690 -3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.012 -9.297 -1.466 1.00 0.00 H new ATOM 1032 N LYS A 69 13.118 -7.564 -5.630 1.00 0.00 N ATOM 1033 CA LYS A 69 13.250 -7.111 -7.018 1.00 0.00 C ATOM 1034 C LYS A 69 13.054 -5.596 -7.138 1.00 0.00 C ATOM 1035 O LYS A 69 13.785 -4.950 -7.885 1.00 0.00 O ATOM 1036 CB LYS A 69 12.265 -7.831 -7.945 1.00 0.00 C ATOM 1037 CG LYS A 69 12.693 -9.270 -8.259 1.00 0.00 C ATOM 1038 CD LYS A 69 11.575 -10.059 -8.963 1.00 0.00 C ATOM 1039 CE LYS A 69 11.062 -9.416 -10.257 1.00 0.00 C ATOM 1040 NZ LYS A 69 12.142 -9.197 -11.234 1.00 0.00 N ATOM 0 H LYS A 69 12.467 -8.338 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 69 14.265 -7.358 -7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.278 -7.842 -7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.174 -7.272 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.581 -9.255 -8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.969 -9.777 -7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.941 -11.060 -9.190 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.739 -10.174 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.297 -10.054 -10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.586 -8.463 -10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.747 -8.776 -12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.851 -8.554 -10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.591 -10.106 -11.465 1.00 0.00 H new ATOM 1054 N TYR A 70 12.087 -5.030 -6.406 1.00 0.00 N ATOM 1055 CA TYR A 70 11.832 -3.592 -6.412 1.00 0.00 C ATOM 1056 C TYR A 70 12.284 -2.942 -5.101 1.00 0.00 C ATOM 1057 O TYR A 70 11.837 -1.848 -4.754 1.00 0.00 O ATOM 1058 CB TYR A 70 10.360 -3.350 -6.759 1.00 0.00 C ATOM 1059 CG TYR A 70 10.064 -3.669 -8.209 1.00 0.00 C ATOM 1060 CD1 TYR A 70 10.544 -2.809 -9.215 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.520 -4.918 -8.559 1.00 0.00 C ATOM 1062 CE1 TYR A 70 10.484 -3.198 -10.563 1.00 0.00 C ATOM 1063 CE2 TYR A 70 9.472 -5.313 -9.905 1.00 0.00 C ATOM 1064 CZ TYR A 70 9.975 -4.462 -10.904 1.00 0.00 C ATOM 1065 OH TYR A 70 9.979 -4.863 -12.204 1.00 0.00 O ATOM 0 H TYR A 70 11.463 -5.558 -5.796 1.00 0.00 H new ATOM 0 HA TYR A 70 12.429 -3.103 -7.182 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.729 -3.964 -6.116 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.105 -2.310 -6.556 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.959 -1.848 -8.949 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.139 -5.574 -7.791 1.00 0.00 H new ATOM 0 HE1 TYR A 70 10.828 -2.527 -11.336 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.049 -6.270 -10.173 1.00 0.00 H new ATOM 0 HH TYR A 70 9.068 -5.100 -12.476 1.00 0.00 H new ATOM 1075 N GLY A 71 13.198 -3.614 -4.391 1.00 0.00 N ATOM 1076 CA GLY A 71 13.791 -3.177 -3.142 1.00 0.00 C ATOM 1077 C GLY A 71 12.772 -2.597 -2.169 1.00 0.00 C ATOM 1078 O GLY A 71 13.041 -1.558 -1.574 1.00 0.00 O ATOM 0 H GLY A 71 13.555 -4.520 -4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.295 -4.021 -2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.553 -2.426 -3.351 1.00 0.00 H new ATOM 1082 N ILE A 72 11.608 -3.240 -2.022 1.00 0.00 N ATOM 1083 CA ILE A 72 10.546 -2.788 -1.122 1.00 0.00 C ATOM 1084 C ILE A 72 11.107 -2.477 0.271 1.00 0.00 C ATOM 1085 O ILE A 72 11.813 -3.291 0.862 1.00 0.00 O ATOM 1086 CB ILE A 72 9.403 -3.827 -1.091 1.00 0.00 C ATOM 1087 CG1 ILE A 72 8.343 -3.551 -2.172 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.664 -3.887 0.255 1.00 0.00 C ATOM 1089 CD1 ILE A 72 8.905 -3.345 -3.578 1.00 0.00 C ATOM 0 H ILE A 72 11.377 -4.095 -2.529 1.00 0.00 H new ATOM 0 HA ILE A 72 10.125 -1.855 -1.498 1.00 0.00 H new ATOM 0 HB ILE A 72 9.906 -4.777 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.641 -4.384 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.776 -2.664 -1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.875 -4.637 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.367 -4.153 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.225 -2.913 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.087 -3.157 -4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.584 -2.492 -3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.446 -4.239 -3.888 1.00 0.00 H new ATOM 1101 N ARG A 73 10.777 -1.288 0.785 1.00 0.00 N ATOM 1102 CA ARG A 73 11.224 -0.810 2.084 1.00 0.00 C ATOM 1103 C ARG A 73 10.375 -1.468 3.174 1.00 0.00 C ATOM 1104 O ARG A 73 10.900 -2.064 4.111 1.00 0.00 O ATOM 1105 CB ARG A 73 11.052 0.715 2.154 1.00 0.00 C ATOM 1106 CG ARG A 73 12.140 1.537 1.446 1.00 0.00 C ATOM 1107 CD ARG A 73 12.216 1.312 -0.066 1.00 0.00 C ATOM 1108 NE ARG A 73 10.956 1.633 -0.756 1.00 0.00 N ATOM 1109 CZ ARG A 73 10.630 1.227 -1.995 1.00 0.00 C ATOM 1110 NH1 ARG A 73 11.354 0.295 -2.626 1.00 0.00 N ATOM 1111 NH2 ARG A 73 9.573 1.770 -2.608 1.00 0.00 N ATOM 0 H ARG A 73 10.179 -0.622 0.295 1.00 0.00 H new ATOM 0 HA ARG A 73 12.274 -1.062 2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.086 0.974 1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.021 1.012 3.202 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.960 2.595 1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 73 13.107 1.294 1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.017 1.924 -0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.477 0.272 -0.261 1.00 0.00 H new ATOM 0 HE ARG A 73 10.278 2.208 -0.255 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.166 -0.118 -2.167 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.094 -0.003 -3.566 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.022 2.486 -2.135 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.318 1.468 -3.548 1.00 0.00 H new ATOM 1125 N GLY A 74 9.053 -1.343 3.052 1.00 0.00 N ATOM 1126 CA GLY A 74 8.087 -1.894 3.982 1.00 0.00 C ATOM 1127 C GLY A 74 6.717 -1.766 3.331 1.00 0.00 C ATOM 1128 O GLY A 74 6.510 -0.856 2.527 1.00 0.00 O ATOM 0 H GLY A 74 8.620 -0.839 2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.314 -2.938 4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.115 -1.357 4.930 1.00 0.00 H new ATOM 1132 N ILE A 75 5.796 -2.677 3.642 1.00 0.00 N ATOM 1133 CA ILE A 75 4.457 -2.683 3.069 1.00 0.00 C ATOM 1134 C ILE A 75 3.492 -1.878 3.955 1.00 0.00 C ATOM 1135 O ILE A 75 3.685 -1.845 5.171 1.00 0.00 O ATOM 1136 CB ILE A 75 3.978 -4.127 2.843 1.00 0.00 C ATOM 1137 CG1 ILE A 75 4.116 -4.991 4.107 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.755 -4.751 1.673 1.00 0.00 C ATOM 1139 CD1 ILE A 75 3.373 -6.315 3.951 1.00 0.00 C ATOM 0 H ILE A 75 5.962 -3.435 4.303 1.00 0.00 H new ATOM 0 HA ILE A 75 4.480 -2.196 2.094 1.00 0.00 H new ATOM 0 HB ILE A 75 2.916 -4.093 2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.170 -5.183 4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.723 -4.449 4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.414 -5.774 1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.583 -4.167 0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.820 -4.755 1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.488 -6.906 4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.315 -6.120 3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.785 -6.866 3.106 1.00 0.00 H new ATOM 1151 N PRO A 76 2.454 -1.233 3.393 1.00 0.00 N ATOM 1152 CA PRO A 76 2.124 -1.168 1.976 1.00 0.00 C ATOM 1153 C PRO A 76 3.138 -0.296 1.231 1.00 0.00 C ATOM 1154 O PRO A 76 3.526 0.758 1.738 1.00 0.00 O ATOM 1155 CB PRO A 76 0.729 -0.539 1.909 1.00 0.00 C ATOM 1156 CG PRO A 76 0.666 0.323 3.168 1.00 0.00 C ATOM 1157 CD PRO A 76 1.487 -0.485 4.174 1.00 0.00 C ATOM 0 HA PRO A 76 2.147 -2.153 1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.601 0.059 1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.054 -1.298 1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 76 1.091 1.313 3.002 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.360 0.469 3.507 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.986 0.171 4.887 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.849 -1.155 4.750 1.00 0.00 H new ATOM 1165 N THR A 77 3.571 -0.733 0.044 1.00 0.00 N ATOM 1166 CA THR A 77 4.525 0.018 -0.768 1.00 0.00 C ATOM 1167 C THR A 77 3.828 0.373 -2.075 1.00 0.00 C ATOM 1168 O THR A 77 3.460 -0.525 -2.832 1.00 0.00 O ATOM 1169 CB THR A 77 5.795 -0.802 -1.049 1.00 0.00 C ATOM 1170 OG1 THR A 77 6.050 -1.717 -0.007 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.997 0.144 -1.153 1.00 0.00 C ATOM 0 H THR A 77 3.270 -1.612 -0.376 1.00 0.00 H new ATOM 0 HA THR A 77 4.839 0.915 -0.234 1.00 0.00 H new ATOM 0 HB THR A 77 5.644 -1.349 -1.980 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.050 -1.244 0.851 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.899 -0.434 -1.352 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.833 0.852 -1.965 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.114 0.688 -0.216 1.00 0.00 H new ATOM 1179 N LEU A 78 3.643 1.664 -2.337 1.00 0.00 N ATOM 1180 CA LEU A 78 3.002 2.163 -3.539 1.00 0.00 C ATOM 1181 C LEU A 78 4.110 2.564 -4.507 1.00 0.00 C ATOM 1182 O LEU A 78 4.934 3.407 -4.159 1.00 0.00 O ATOM 1183 CB LEU A 78 2.125 3.374 -3.194 1.00 0.00 C ATOM 1184 CG LEU A 78 1.163 3.152 -2.016 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.582 4.496 -1.573 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.033 2.194 -2.398 1.00 0.00 C ATOM 0 H LEU A 78 3.943 2.404 -1.703 1.00 0.00 H new ATOM 0 HA LEU A 78 2.362 1.404 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.772 4.221 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.544 3.648 -4.074 1.00 0.00 H new ATOM 0 HG LEU A 78 1.720 2.703 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.100 4.340 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.391 5.157 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.041 4.950 -2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.631 2.056 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.530 2.610 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.454 1.232 -2.689 1.00 0.00 H new ATOM 1198 N LEU A 79 4.163 1.972 -5.700 1.00 0.00 N ATOM 1199 CA LEU A 79 5.134 2.282 -6.742 1.00 0.00 C ATOM 1200 C LEU A 79 4.334 2.720 -7.963 1.00 0.00 C ATOM 1201 O LEU A 79 3.534 1.943 -8.479 1.00 0.00 O ATOM 1202 CB LEU A 79 5.982 1.052 -7.093 1.00 0.00 C ATOM 1203 CG LEU A 79 7.192 0.821 -6.173 1.00 0.00 C ATOM 1204 CD1 LEU A 79 6.804 0.295 -4.788 1.00 0.00 C ATOM 1205 CD2 LEU A 79 8.147 -0.185 -6.824 1.00 0.00 C ATOM 0 H LEU A 79 3.508 1.239 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 79 5.818 3.061 -6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.345 0.168 -7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.337 1.153 -8.119 1.00 0.00 H new ATOM 0 HG LEU A 79 7.669 1.792 -6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.703 0.153 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.149 1.014 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.284 -0.657 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.004 -0.348 -6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.627 -1.130 -6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.490 0.206 -7.782 1.00 0.00 H new ATOM 1217 N LEU A 80 4.530 3.954 -8.424 1.00 0.00 N ATOM 1218 CA LEU A 80 3.810 4.489 -9.567 1.00 0.00 C ATOM 1219 C LEU A 80 4.634 4.253 -10.826 1.00 0.00 C ATOM 1220 O LEU A 80 5.528 5.031 -11.151 1.00 0.00 O ATOM 1221 CB LEU A 80 3.481 5.954 -9.294 1.00 0.00 C ATOM 1222 CG LEU A 80 2.653 6.651 -10.389 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.689 5.747 -11.172 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.793 7.703 -9.692 1.00 0.00 C ATOM 0 H LEU A 80 5.195 4.608 -8.011 1.00 0.00 H new ATOM 0 HA LEU A 80 2.858 3.983 -9.728 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.937 6.019 -8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.414 6.502 -9.162 1.00 0.00 H new ATOM 0 HG LEU A 80 3.371 7.038 -11.112 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.158 6.340 -11.916 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.253 4.959 -11.671 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.971 5.299 -10.485 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.186 8.225 -10.432 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.141 7.217 -8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.437 8.419 -9.180 1.00 0.00 H new ATOM 1236 N PHE A 81 4.322 3.167 -11.532 1.00 0.00 N ATOM 1237 CA PHE A 81 4.989 2.757 -12.753 1.00 0.00 C ATOM 1238 C PHE A 81 4.374 3.474 -13.949 1.00 0.00 C ATOM 1239 O PHE A 81 3.330 3.048 -14.434 1.00 0.00 O ATOM 1240 CB PHE A 81 4.848 1.240 -12.922 1.00 0.00 C ATOM 1241 CG PHE A 81 5.796 0.432 -12.061 1.00 0.00 C ATOM 1242 CD1 PHE A 81 5.450 0.099 -10.740 1.00 0.00 C ATOM 1243 CD2 PHE A 81 6.999 -0.049 -12.606 1.00 0.00 C ATOM 1244 CE1 PHE A 81 6.285 -0.742 -9.986 1.00 0.00 C ATOM 1245 CE2 PHE A 81 7.850 -0.863 -11.843 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.507 -1.182 -10.518 1.00 0.00 C ATOM 0 H PHE A 81 3.573 2.532 -11.255 1.00 0.00 H new ATOM 0 HA PHE A 81 6.046 3.019 -12.694 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.824 0.952 -12.685 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.017 0.984 -13.968 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.542 0.490 -10.305 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.270 0.210 -13.619 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.986 -1.051 -8.995 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.765 -1.243 -12.272 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.183 -1.765 -9.910 1.00 0.00 H new ATOM 1256 N LYS A 82 5.032 4.513 -14.463 1.00 0.00 N ATOM 1257 CA LYS A 82 4.613 5.190 -15.677 1.00 0.00 C ATOM 1258 C LYS A 82 5.366 4.550 -16.834 1.00 0.00 C ATOM 1259 O LYS A 82 6.591 4.615 -16.902 1.00 0.00 O ATOM 1260 CB LYS A 82 4.861 6.700 -15.604 1.00 0.00 C ATOM 1261 CG LYS A 82 3.879 7.371 -14.636 1.00 0.00 C ATOM 1262 CD LYS A 82 3.993 8.903 -14.679 1.00 0.00 C ATOM 1263 CE LYS A 82 3.320 9.502 -15.923 1.00 0.00 C ATOM 1264 NZ LYS A 82 3.481 10.965 -15.973 1.00 0.00 N ATOM 0 H LYS A 82 5.874 4.906 -14.042 1.00 0.00 H new ATOM 0 HA LYS A 82 3.538 5.078 -15.817 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.884 6.889 -15.279 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.756 7.138 -16.597 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.861 7.075 -14.888 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.071 7.020 -13.622 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.537 9.324 -13.783 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.045 9.188 -14.665 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.750 9.057 -16.820 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.259 9.252 -15.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.944 11.346 -16.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.125 11.384 -15.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.488 11.200 -16.086 1.00 0.00 H new ATOM 1278 N ASN A 83 4.632 3.887 -17.727 1.00 0.00 N ATOM 1279 CA ASN A 83 5.188 3.206 -18.886 1.00 0.00 C ATOM 1280 C ASN A 83 6.251 2.189 -18.466 1.00 0.00 C ATOM 1281 O ASN A 83 7.284 2.045 -19.118 1.00 0.00 O ATOM 1282 CB ASN A 83 5.704 4.236 -19.906 1.00 0.00 C ATOM 1283 CG ASN A 83 5.619 3.695 -21.328 1.00 0.00 C ATOM 1284 OD1 ASN A 83 4.876 4.227 -22.147 1.00 0.00 O ATOM 1285 ND2 ASN A 83 6.337 2.622 -21.634 1.00 0.00 N ATOM 0 H ASN A 83 3.617 3.809 -17.660 1.00 0.00 H new ATOM 0 HA ASN A 83 4.403 2.633 -19.381 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.120 5.153 -19.828 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.737 4.495 -19.674 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.279 2.219 -22.569 1.00 0.00 H new ATOM 0 HD22 ASN A 83 6.947 2.200 -20.934 1.00 0.00 H new ATOM 1292 N GLY A 84 5.997 1.488 -17.358 1.00 0.00 N ATOM 1293 CA GLY A 84 6.913 0.495 -16.820 1.00 0.00 C ATOM 1294 C GLY A 84 8.090 1.097 -16.046 1.00 0.00 C ATOM 1295 O GLY A 84 8.901 0.339 -15.520 1.00 0.00 O ATOM 0 H GLY A 84 5.144 1.599 -16.810 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.361 -0.176 -16.161 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.300 -0.111 -17.639 1.00 0.00 H new ATOM 1299 N GLU A 85 8.192 2.429 -15.937 1.00 0.00 N ATOM 1300 CA GLU A 85 9.262 3.100 -15.208 1.00 0.00 C ATOM 1301 C GLU A 85 8.700 3.697 -13.921 1.00 0.00 C ATOM 1302 O GLU A 85 7.730 4.449 -13.959 1.00 0.00 O ATOM 1303 CB GLU A 85 9.871 4.201 -16.085 1.00 0.00 C ATOM 1304 CG GLU A 85 10.522 3.603 -17.338 1.00 0.00 C ATOM 1305 CD GLU A 85 11.026 4.698 -18.273 1.00 0.00 C ATOM 1306 OE1 GLU A 85 12.185 5.122 -18.075 1.00 0.00 O ATOM 1307 OE2 GLU A 85 10.241 5.099 -19.158 1.00 0.00 O ATOM 0 H GLU A 85 7.523 3.073 -16.360 1.00 0.00 H new ATOM 0 HA GLU A 85 10.042 2.382 -14.955 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.096 4.910 -16.376 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.614 4.757 -15.514 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.352 2.958 -17.048 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.800 2.977 -17.863 1.00 0.00 H new ATOM 1314 N VAL A 86 9.310 3.376 -12.779 1.00 0.00 N ATOM 1315 CA VAL A 86 8.885 3.920 -11.493 1.00 0.00 C ATOM 1316 C VAL A 86 9.090 5.441 -11.509 1.00 0.00 C ATOM 1317 O VAL A 86 10.221 5.914 -11.427 1.00 0.00 O ATOM 1318 CB VAL A 86 9.647 3.250 -10.332 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.182 3.812 -8.980 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.406 1.736 -10.320 1.00 0.00 C ATOM 0 H VAL A 86 10.104 2.738 -12.721 1.00 0.00 H new ATOM 0 HA VAL A 86 7.828 3.709 -11.334 1.00 0.00 H new ATOM 0 HB VAL A 86 10.706 3.458 -10.482 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.733 3.325 -8.175 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.367 4.886 -8.949 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.116 3.624 -8.855 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.954 1.287 -9.492 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.341 1.538 -10.200 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.751 1.305 -11.260 1.00 0.00 H new ATOM 1330 N ALA A 87 7.999 6.202 -11.610 1.00 0.00 N ATOM 1331 CA ALA A 87 8.020 7.656 -11.630 1.00 0.00 C ATOM 1332 C ALA A 87 8.183 8.183 -10.209 1.00 0.00 C ATOM 1333 O ALA A 87 8.932 9.129 -9.973 1.00 0.00 O ATOM 1334 CB ALA A 87 6.716 8.172 -12.242 1.00 0.00 C ATOM 0 H ALA A 87 7.059 5.812 -11.681 1.00 0.00 H new ATOM 0 HA ALA A 87 8.858 8.006 -12.233 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.728 9.262 -12.259 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.617 7.795 -13.260 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.872 7.828 -11.644 1.00 0.00 H new ATOM 1340 N ALA A 88 7.491 7.553 -9.258 1.00 0.00 N ATOM 1341 CA ALA A 88 7.550 7.894 -7.848 1.00 0.00 C ATOM 1342 C ALA A 88 7.131 6.668 -7.050 1.00 0.00 C ATOM 1343 O ALA A 88 6.618 5.696 -7.609 1.00 0.00 O ATOM 1344 CB ALA A 88 6.631 9.079 -7.542 1.00 0.00 C ATOM 0 H ALA A 88 6.862 6.775 -9.458 1.00 0.00 H new ATOM 0 HA ALA A 88 8.563 8.188 -7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.689 9.320 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.944 9.943 -8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.604 8.819 -7.800 1.00 0.00 H new ATOM 1350 N THR A 89 7.331 6.722 -5.735 1.00 0.00 N ATOM 1351 CA THR A 89 6.954 5.658 -4.831 1.00 0.00 C ATOM 1352 C THR A 89 6.664 6.277 -3.469 1.00 0.00 C ATOM 1353 O THR A 89 7.095 7.398 -3.197 1.00 0.00 O ATOM 1354 CB THR A 89 8.039 4.565 -4.796 1.00 0.00 C ATOM 1355 OG1 THR A 89 7.662 3.501 -3.946 1.00 0.00 O ATOM 1356 CG2 THR A 89 9.402 5.091 -4.334 1.00 0.00 C ATOM 0 H THR A 89 7.765 7.519 -5.270 1.00 0.00 H new ATOM 0 HA THR A 89 6.050 5.153 -5.171 1.00 0.00 H new ATOM 0 HB THR A 89 8.134 4.215 -5.824 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.695 3.357 -4.011 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.125 4.275 -4.330 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.740 5.872 -5.015 1.00 0.00 H new ATOM 0 HG23 THR A 89 9.312 5.501 -3.328 1.00 0.00 H new ATOM 1364 N LYS A 90 5.916 5.556 -2.635 1.00 0.00 N ATOM 1365 CA LYS A 90 5.523 5.967 -1.303 1.00 0.00 C ATOM 1366 C LYS A 90 5.458 4.703 -0.449 1.00 0.00 C ATOM 1367 O LYS A 90 4.860 3.707 -0.856 1.00 0.00 O ATOM 1368 CB LYS A 90 4.177 6.703 -1.386 1.00 0.00 C ATOM 1369 CG LYS A 90 3.488 6.907 -0.031 1.00 0.00 C ATOM 1370 CD LYS A 90 4.298 7.799 0.915 1.00 0.00 C ATOM 1371 CE LYS A 90 3.490 8.168 2.166 1.00 0.00 C ATOM 1372 NZ LYS A 90 3.068 6.973 2.918 1.00 0.00 N ATOM 0 H LYS A 90 5.557 4.635 -2.886 1.00 0.00 H new ATOM 0 HA LYS A 90 6.232 6.660 -0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.336 7.676 -1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.509 6.143 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.506 7.351 -0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.327 5.937 0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.212 7.284 1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.598 8.708 0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.091 8.809 2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.611 8.743 1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.554 7.265 3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.446 6.390 2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.906 6.420 3.189 1.00 0.00 H new ATOM 1386 N VAL A 91 6.080 4.753 0.727 1.00 0.00 N ATOM 1387 CA VAL A 91 6.117 3.673 1.696 1.00 0.00 C ATOM 1388 C VAL A 91 5.108 4.039 2.783 1.00 0.00 C ATOM 1389 O VAL A 91 5.189 5.136 3.335 1.00 0.00 O ATOM 1390 CB VAL A 91 7.542 3.566 2.267 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.667 2.379 3.229 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.587 3.417 1.154 1.00 0.00 C ATOM 0 H VAL A 91 6.590 5.580 1.038 1.00 0.00 H new ATOM 0 HA VAL A 91 5.864 2.708 1.258 1.00 0.00 H new ATOM 0 HB VAL A 91 7.731 4.493 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.685 2.330 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.970 2.507 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.435 1.455 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.581 3.344 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.379 2.515 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.545 4.285 0.497 1.00 0.00 H new ATOM 1402 N GLY A 92 4.156 3.155 3.081 1.00 0.00 N ATOM 1403 CA GLY A 92 3.136 3.406 4.087 1.00 0.00 C ATOM 1404 C GLY A 92 1.862 3.976 3.466 1.00 0.00 C ATOM 1405 O GLY A 92 1.820 4.315 2.284 1.00 0.00 O ATOM 0 H GLY A 92 4.074 2.245 2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.903 2.478 4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.522 4.103 4.831 1.00 0.00 H new ATOM 1409 N ALA A 93 0.808 4.061 4.282 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.504 4.536 3.861 1.00 0.00 C ATOM 1411 C ALA A 93 -0.515 6.030 3.518 1.00 0.00 C ATOM 1412 O ALA A 93 0.400 6.772 3.869 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.521 4.224 4.964 1.00 0.00 C ATOM 0 H ALA A 93 0.847 3.797 5.266 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.773 4.015 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.507 4.575 4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.555 3.148 5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.225 4.727 5.885 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.594 6.459 2.858 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.867 7.831 2.455 1.00 0.00 C ATOM 1421 C LEU A 94 -3.346 8.098 2.709 1.00 0.00 C ATOM 1422 O LEU A 94 -4.156 7.176 2.632 1.00 0.00 O ATOM 1423 CB LEU A 94 -1.637 7.986 0.942 1.00 0.00 C ATOM 1424 CG LEU A 94 -0.227 8.436 0.546 1.00 0.00 C ATOM 1425 CD1 LEU A 94 0.013 8.114 -0.930 1.00 0.00 C ATOM 1426 CD2 LEU A 94 -0.135 9.956 0.677 1.00 0.00 C ATOM 0 H LEU A 94 -2.338 5.820 2.578 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.220 8.512 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.848 7.032 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.356 8.707 0.552 1.00 0.00 H new ATOM 0 HG LEU A 94 0.497 7.931 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.016 8.433 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.084 7.040 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.721 8.639 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.866 10.285 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.868 10.423 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.337 10.245 1.708 1.00 0.00 H new ATOM 1438 N SER A 95 -3.703 9.363 2.935 1.00 0.00 N ATOM 1439 CA SER A 95 -5.086 9.787 3.020 1.00 0.00 C ATOM 1440 C SER A 95 -5.557 10.026 1.583 1.00 0.00 C ATOM 1441 O SER A 95 -4.737 10.281 0.697 1.00 0.00 O ATOM 1442 CB SER A 95 -5.158 11.059 3.872 1.00 0.00 C ATOM 1443 OG SER A 95 -4.179 11.984 3.437 1.00 0.00 O ATOM 0 H SER A 95 -3.032 10.120 3.064 1.00 0.00 H new ATOM 0 HA SER A 95 -5.729 9.044 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.150 11.503 3.795 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.999 10.814 4.922 1.00 0.00 H new ATOM 0 HG SER A 95 -4.230 12.796 3.984 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.868 9.935 1.334 1.00 0.00 N ATOM 1450 CA LYS A 96 -7.414 10.109 -0.007 1.00 0.00 C ATOM 1451 C LYS A 96 -6.889 11.394 -0.653 1.00 0.00 C ATOM 1452 O LYS A 96 -6.385 11.352 -1.770 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.949 10.059 0.025 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.521 10.005 -1.403 1.00 0.00 C ATOM 1455 CD LYS A 96 -11.056 9.937 -1.450 1.00 0.00 C ATOM 1456 CE LYS A 96 -11.613 8.507 -1.458 1.00 0.00 C ATOM 1457 NZ LYS A 96 -11.373 7.791 -0.194 1.00 0.00 N ATOM 0 H LYS A 96 -7.569 9.741 2.049 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.075 9.282 -0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.278 9.185 0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.336 10.936 0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.188 10.886 -1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.111 9.135 -1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.460 10.470 -0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.406 10.458 -2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.685 8.541 -1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.158 7.950 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.925 6.910 -0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.361 7.567 -0.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.663 8.390 0.605 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.996 12.529 0.044 1.00 0.00 N ATOM 1472 CA GLY A 97 -6.534 13.814 -0.466 1.00 0.00 C ATOM 1473 C GLY A 97 -5.073 13.758 -0.915 1.00 0.00 C ATOM 1474 O GLY A 97 -4.764 14.020 -2.077 1.00 0.00 O ATOM 0 H GLY A 97 -7.406 12.578 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -7.160 14.118 -1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.647 14.573 0.308 1.00 0.00 H new ATOM 1478 N GLN A 98 -4.168 13.399 -0.001 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.747 13.313 -0.292 1.00 0.00 C ATOM 1480 C GLN A 98 -2.488 12.368 -1.465 1.00 0.00 C ATOM 1481 O GLN A 98 -1.683 12.678 -2.343 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.993 12.877 0.965 1.00 0.00 C ATOM 1483 CG GLN A 98 -2.070 13.906 2.101 1.00 0.00 C ATOM 1484 CD GLN A 98 -1.167 15.115 1.864 1.00 0.00 C ATOM 1485 OE1 GLN A 98 -0.055 15.166 2.377 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -1.618 16.103 1.094 1.00 0.00 N ATOM 0 H GLN A 98 -4.407 13.161 0.961 1.00 0.00 H new ATOM 0 HA GLN A 98 -2.380 14.296 -0.589 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.400 11.928 1.314 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.947 12.702 0.712 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.101 14.243 2.211 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.790 13.427 3.039 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.547 16.041 0.676 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.035 16.922 0.922 1.00 0.00 H new ATOM 1495 N LEU A 99 -3.175 11.226 -1.499 1.00 0.00 N ATOM 1496 CA LEU A 99 -3.023 10.286 -2.595 1.00 0.00 C ATOM 1497 C LEU A 99 -3.468 10.936 -3.910 1.00 0.00 C ATOM 1498 O LEU A 99 -2.724 10.898 -4.886 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.754 8.985 -2.257 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.689 7.893 -3.335 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.263 7.561 -3.794 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.295 6.618 -2.743 1.00 0.00 C ATOM 0 H LEU A 99 -3.838 10.936 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.975 10.020 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.338 8.584 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.801 9.217 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.230 8.266 -4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.298 6.782 -4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.797 8.454 -4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.679 7.210 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.264 5.821 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.724 6.318 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.330 6.806 -2.456 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.641 11.574 -3.942 1.00 0.00 N ATOM 1515 CA LYS A 100 -5.113 12.271 -5.133 1.00 0.00 C ATOM 1516 C LYS A 100 -4.068 13.287 -5.597 1.00 0.00 C ATOM 1517 O LYS A 100 -3.744 13.313 -6.783 1.00 0.00 O ATOM 1518 CB LYS A 100 -6.463 12.964 -4.896 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.614 11.960 -4.769 1.00 0.00 C ATOM 1520 CD LYS A 100 -8.943 12.651 -4.434 1.00 0.00 C ATOM 1521 CE LYS A 100 -9.446 13.595 -5.536 1.00 0.00 C ATOM 1522 NZ LYS A 100 -9.587 12.905 -6.831 1.00 0.00 N ATOM 0 H LYS A 100 -5.282 11.620 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.263 11.525 -5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.406 13.566 -3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.668 13.647 -5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.718 11.407 -5.703 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.377 11.233 -3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.700 11.890 -4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.825 13.217 -3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.408 14.015 -5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.753 14.429 -5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.129 13.504 -7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.645 12.720 -7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.087 12.004 -6.692 1.00 0.00 H new ATOM 1536 N GLU A 101 -3.544 14.101 -4.673 1.00 0.00 N ATOM 1537 CA GLU A 101 -2.520 15.099 -4.965 1.00 0.00 C ATOM 1538 C GLU A 101 -1.284 14.432 -5.583 1.00 0.00 C ATOM 1539 O GLU A 101 -0.837 14.823 -6.658 1.00 0.00 O ATOM 1540 CB GLU A 101 -2.150 15.856 -3.682 1.00 0.00 C ATOM 1541 CG GLU A 101 -3.294 16.737 -3.160 1.00 0.00 C ATOM 1542 CD GLU A 101 -3.017 17.208 -1.735 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -2.189 18.135 -1.597 1.00 0.00 O ATOM 1544 OE2 GLU A 101 -3.612 16.621 -0.804 1.00 0.00 O ATOM 0 H GLU A 101 -3.825 14.081 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.914 15.813 -5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.869 15.139 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.276 16.479 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.420 17.600 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.229 16.178 -3.186 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.742 13.419 -4.903 1.00 0.00 N ATOM 1552 CA PHE A 102 0.421 12.653 -5.342 1.00 0.00 C ATOM 1553 C PHE A 102 0.208 12.141 -6.769 1.00 0.00 C ATOM 1554 O PHE A 102 1.057 12.317 -7.648 1.00 0.00 O ATOM 1555 CB PHE A 102 0.647 11.505 -4.348 1.00 0.00 C ATOM 1556 CG PHE A 102 1.739 10.508 -4.693 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.038 10.681 -4.177 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.407 9.307 -5.348 1.00 0.00 C ATOM 1559 CE1 PHE A 102 3.970 9.627 -4.242 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.341 8.258 -5.420 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.609 8.404 -4.832 1.00 0.00 C ATOM 0 H PHE A 102 -1.112 13.102 -4.007 1.00 0.00 H new ATOM 0 HA PHE A 102 1.311 13.282 -5.360 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.877 11.938 -3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.290 10.959 -4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.320 11.623 -3.731 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.432 9.191 -5.797 1.00 0.00 H new ATOM 0 HE1 PHE A 102 4.963 9.759 -3.838 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.084 7.340 -5.927 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.305 7.578 -4.834 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.941 11.511 -7.006 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.292 10.981 -8.311 1.00 0.00 C ATOM 1573 C LEU A 103 -1.341 12.101 -9.341 1.00 0.00 C ATOM 1574 O LEU A 103 -0.683 11.996 -10.370 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.620 10.229 -8.230 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.476 8.950 -7.397 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.860 8.381 -7.105 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.572 7.927 -8.088 1.00 0.00 C ATOM 0 H LEU A 103 -1.653 11.356 -6.292 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.526 10.274 -8.631 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.380 10.872 -7.787 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.961 9.977 -9.234 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.992 9.194 -6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.762 7.471 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.445 9.114 -6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.364 8.150 -8.044 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.493 7.034 -7.468 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.997 7.661 -9.056 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.581 8.357 -8.233 1.00 0.00 H new ATOM 1590 N ASP A 104 -2.086 13.175 -9.070 1.00 0.00 N ATOM 1591 CA ASP A 104 -2.179 14.311 -9.977 1.00 0.00 C ATOM 1592 C ASP A 104 -0.784 14.819 -10.342 1.00 0.00 C ATOM 1593 O ASP A 104 -0.473 14.990 -11.518 1.00 0.00 O ATOM 1594 CB ASP A 104 -3.025 15.422 -9.348 1.00 0.00 C ATOM 1595 CG ASP A 104 -3.100 16.633 -10.272 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.907 16.568 -11.224 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -2.342 17.593 -10.015 1.00 0.00 O ATOM 0 H ASP A 104 -2.638 13.277 -8.218 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.669 13.990 -10.896 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -4.029 15.050 -9.146 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.595 15.715 -8.390 1.00 0.00 H new ATOM 1602 N ALA A 105 0.062 15.033 -9.332 1.00 0.00 N ATOM 1603 CA ALA A 105 1.430 15.496 -9.513 1.00 0.00 C ATOM 1604 C ALA A 105 2.225 14.564 -10.430 1.00 0.00 C ATOM 1605 O ALA A 105 3.027 15.032 -11.236 1.00 0.00 O ATOM 1606 CB ALA A 105 2.110 15.640 -8.150 1.00 0.00 C ATOM 0 H ALA A 105 -0.192 14.886 -8.355 1.00 0.00 H new ATOM 0 HA ALA A 105 1.402 16.471 -10.000 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.134 15.987 -8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.562 16.361 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.119 14.674 -7.644 1.00 0.00 H new ATOM 1612 N ASN A 106 2.002 13.250 -10.332 1.00 0.00 N ATOM 1613 CA ASN A 106 2.726 12.283 -11.155 1.00 0.00 C ATOM 1614 C ASN A 106 2.148 12.246 -12.566 1.00 0.00 C ATOM 1615 O ASN A 106 2.904 12.229 -13.534 1.00 0.00 O ATOM 1616 CB ASN A 106 2.655 10.880 -10.543 1.00 0.00 C ATOM 1617 CG ASN A 106 3.742 10.652 -9.501 1.00 0.00 C ATOM 1618 OD1 ASN A 106 4.784 10.087 -9.816 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.510 11.063 -8.259 1.00 0.00 N ATOM 0 H ASN A 106 1.326 12.834 -9.691 1.00 0.00 H new ATOM 0 HA ASN A 106 3.769 12.598 -11.197 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.677 10.735 -10.084 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.750 10.135 -11.333 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.210 10.912 -7.533 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.632 11.530 -8.032 1.00 0.00 H new ATOM 1626 N LEU A 107 0.822 12.230 -12.699 1.00 0.00 N ATOM 1627 CA LEU A 107 0.145 12.216 -13.985 1.00 0.00 C ATOM 1628 C LEU A 107 0.557 13.457 -14.777 1.00 0.00 C ATOM 1629 O LEU A 107 0.946 13.358 -15.939 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.374 12.158 -13.760 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.851 10.800 -13.209 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -3.263 10.950 -12.632 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.865 9.720 -14.300 1.00 0.00 C ATOM 0 H LEU A 107 0.184 12.226 -11.903 1.00 0.00 H new ATOM 0 HA LEU A 107 0.429 11.336 -14.561 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.663 12.947 -13.066 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.883 12.360 -14.702 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.153 10.490 -12.431 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.601 9.990 -12.242 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.251 11.684 -11.827 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.943 11.283 -13.416 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.207 8.777 -13.874 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.539 10.021 -15.102 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.859 9.594 -14.700 1.00 0.00 H new ATOM 1645 N ALA A 108 0.506 14.627 -14.137 1.00 0.00 N ATOM 1646 CA ALA A 108 0.917 15.884 -14.740 1.00 0.00 C ATOM 1647 C ALA A 108 2.395 15.809 -15.126 1.00 0.00 C ATOM 1648 O ALA A 108 2.904 16.692 -15.814 1.00 0.00 O ATOM 1649 CB ALA A 108 0.663 17.029 -13.757 1.00 0.00 C ATOM 0 H ALA A 108 0.174 14.723 -13.177 1.00 0.00 H new ATOM 0 HA ALA A 108 0.336 16.070 -15.643 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.971 17.972 -14.209 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.399 17.072 -13.516 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.236 16.860 -12.845 1.00 0.00 H new