USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 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 11 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.813 X(o=-0.81,f=-0.47) USER MOD Single : A 23 THR OG1 : rot -170:sc= 0.0103 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc=-0.00174 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -109:sc= -0.248 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.708 USER MOD Single : A 41 GLN : amide:sc= -0.0948 K(o=-0.095,f=-1.3) USER MOD Single : A 42 TYR OH : rot -143:sc= 1.39 USER MOD Single : A 44 LYS NZ :NH3+ -163:sc=-0.00276 (180deg=-0.0793) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= 0.00956 (180deg=-0.012) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot -13:sc= 0.473 USER MOD Single : A 55 ASN : amide:sc= -0.719 K(o=-0.72,f=-7.4!) USER MOD Single : A 58 SER OG : rot 137:sc= -0.977 USER MOD Single : A 67 HIS : no HD1:sc= -2.66! X(o=-2.7!,f=-2.9) USER MOD Single : A 68 LYS NZ :NH3+ -146:sc= -1.03 (180deg=-2.63!) USER MOD Single : A 69 THR OG1 : rot 21:sc= 0.561 USER MOD Single : A 74 LYS NZ :NH3+ 154:sc= -0.173 (180deg=-0.73) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0205 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.842 3.763 0.387 1.00 0.00 N ATOM 60 CA GLY A 7 -1.645 3.040 0.776 1.00 0.00 C ATOM 61 C GLY A 7 -1.879 2.129 1.966 1.00 0.00 C ATOM 62 O GLY A 7 -2.795 2.355 2.758 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.292 2.447 -0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.856 3.752 1.017 1.00 0.00 H new ATOM 66 N LEU A 8 -1.053 1.098 2.091 1.00 0.00 N ATOM 67 CA LEU A 8 -1.174 0.149 3.192 1.00 0.00 C ATOM 68 C LEU A 8 0.199 -0.245 3.726 1.00 0.00 C ATOM 69 O LEU A 8 1.118 -0.529 2.956 1.00 0.00 O ATOM 70 CB LEU A 8 -1.932 -1.099 2.734 1.00 0.00 C ATOM 71 CG LEU A 8 -3.388 -0.884 2.314 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.835 -1.982 1.363 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.293 -0.831 3.536 1.00 0.00 C ATOM 0 H LEU A 8 -0.291 0.897 1.443 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.731 0.632 3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.394 -1.539 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.912 -1.829 3.543 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.460 0.071 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.873 -1.813 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.205 -1.972 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.749 -2.949 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.324 -0.678 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.218 -1.770 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.986 -0.008 4.181 1.00 0.00 H new ATOM 85 N ILE A 9 0.331 -0.262 5.048 1.00 0.00 N ATOM 86 CA ILE A 9 1.591 -0.624 5.685 1.00 0.00 C ATOM 87 C ILE A 9 1.602 -2.095 6.086 1.00 0.00 C ATOM 88 O ILE A 9 1.047 -2.472 7.117 1.00 0.00 O ATOM 89 CB ILE A 9 1.860 0.239 6.932 1.00 0.00 C ATOM 90 CG1 ILE A 9 1.772 1.725 6.581 1.00 0.00 C ATOM 91 CG2 ILE A 9 3.223 -0.092 7.521 1.00 0.00 C ATOM 92 CD1 ILE A 9 3.026 2.268 5.934 1.00 0.00 C ATOM 0 H ILE A 9 -0.419 -0.029 5.699 1.00 0.00 H new ATOM 0 HA ILE A 9 2.378 -0.444 4.952 1.00 0.00 H new ATOM 0 HB ILE A 9 1.099 0.017 7.680 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.929 1.882 5.908 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.566 2.293 7.488 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.399 0.526 8.402 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.251 -1.144 7.805 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.997 0.105 6.779 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.892 3.327 5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.869 2.143 6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.222 1.726 5.009 1.00 0.00 H new ATOM 104 N ALA A 10 2.239 -2.922 5.263 1.00 0.00 N ATOM 105 CA ALA A 10 2.325 -4.352 5.533 1.00 0.00 C ATOM 106 C ALA A 10 3.483 -4.663 6.476 1.00 0.00 C ATOM 107 O ALA A 10 4.644 -4.415 6.151 1.00 0.00 O ATOM 108 CB ALA A 10 2.479 -5.127 4.233 1.00 0.00 C ATOM 0 H ALA A 10 2.703 -2.626 4.404 1.00 0.00 H new ATOM 0 HA ALA A 10 1.400 -4.661 6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.542 -6.193 4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.618 -4.937 3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.388 -4.806 3.724 1.00 0.00 H new ATOM 114 N CYS A 11 3.158 -5.206 7.644 1.00 0.00 N ATOM 115 CA CYS A 11 4.171 -5.549 8.636 1.00 0.00 C ATOM 116 C CYS A 11 4.608 -7.003 8.486 1.00 0.00 C ATOM 117 O CYS A 11 3.854 -7.923 8.804 1.00 0.00 O ATOM 118 CB CYS A 11 3.636 -5.308 10.048 1.00 0.00 C ATOM 119 SG CYS A 11 4.738 -5.878 11.362 1.00 0.00 S ATOM 0 H CYS A 11 2.201 -5.418 7.927 1.00 0.00 H new ATOM 0 HA CYS A 11 5.037 -4.909 8.470 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.454 -4.241 10.179 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.674 -5.811 10.151 1.00 0.00 H new ATOM 0 HG CYS A 11 4.200 -5.629 12.519 1.00 0.00 H new ATOM 125 N VAL A 12 5.829 -7.202 8.000 1.00 0.00 N ATOM 126 CA VAL A 12 6.365 -8.544 7.807 1.00 0.00 C ATOM 127 C VAL A 12 7.463 -8.848 8.821 1.00 0.00 C ATOM 128 O VAL A 12 8.168 -7.947 9.275 1.00 0.00 O ATOM 129 CB VAL A 12 6.929 -8.724 6.385 1.00 0.00 C ATOM 130 CG1 VAL A 12 5.997 -9.584 5.546 1.00 0.00 C ATOM 131 CG2 VAL A 12 7.156 -7.372 5.728 1.00 0.00 C ATOM 0 H VAL A 12 6.465 -6.451 7.733 1.00 0.00 H new ATOM 0 HA VAL A 12 5.538 -9.239 7.952 1.00 0.00 H new ATOM 0 HB VAL A 12 7.890 -9.234 6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.412 -9.700 4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.890 -10.564 6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.020 -9.105 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.555 -7.518 4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.210 -6.833 5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.866 -6.794 6.320 1.00 0.00 H new ATOM 141 N ALA A 13 7.602 -10.122 9.169 1.00 0.00 N ATOM 142 CA ALA A 13 8.617 -10.545 10.127 1.00 0.00 C ATOM 143 C ALA A 13 9.704 -11.371 9.447 1.00 0.00 C ATOM 144 O ALA A 13 10.630 -11.851 10.098 1.00 0.00 O ATOM 145 CB ALA A 13 7.978 -11.340 11.257 1.00 0.00 C ATOM 0 H ALA A 13 7.025 -10.879 8.803 1.00 0.00 H new ATOM 0 HA ALA A 13 9.082 -9.652 10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.747 -11.649 11.965 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.243 -10.719 11.769 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.485 -12.222 10.848 1.00 0.00 H new ATOM 151 N ASN A 14 9.582 -11.532 8.133 1.00 0.00 N ATOM 152 CA ASN A 14 10.555 -12.301 7.365 1.00 0.00 C ATOM 153 C ASN A 14 11.566 -11.380 6.690 1.00 0.00 C ATOM 154 O ASN A 14 11.284 -10.789 5.647 1.00 0.00 O ATOM 155 CB ASN A 14 9.844 -13.156 6.313 1.00 0.00 C ATOM 156 CG ASN A 14 9.234 -14.411 6.904 1.00 0.00 C ATOM 157 OD1 ASN A 14 9.891 -15.146 7.641 1.00 0.00 O ATOM 158 ND2 ASN A 14 7.970 -14.664 6.581 1.00 0.00 N ATOM 0 H ASN A 14 8.820 -11.141 7.579 1.00 0.00 H new ATOM 0 HA ASN A 14 11.090 -12.955 8.054 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.062 -12.565 5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.554 -13.433 5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.507 -15.495 6.948 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.463 -14.027 5.966 1.00 0.00 H new ATOM 165 N ASP A 15 12.745 -11.263 7.290 1.00 0.00 N ATOM 166 CA ASP A 15 13.799 -10.415 6.747 1.00 0.00 C ATOM 167 C ASP A 15 14.050 -10.735 5.277 1.00 0.00 C ATOM 168 O ASP A 15 14.373 -9.849 4.485 1.00 0.00 O ATOM 169 CB ASP A 15 15.091 -10.594 7.547 1.00 0.00 C ATOM 170 CG ASP A 15 15.328 -12.036 7.947 1.00 0.00 C ATOM 171 OD1 ASP A 15 15.533 -12.876 7.046 1.00 0.00 O ATOM 172 OD2 ASP A 15 15.312 -12.325 9.162 1.00 0.00 O ATOM 0 H ASP A 15 12.995 -11.745 8.153 1.00 0.00 H new ATOM 0 HA ASP A 15 13.473 -9.378 6.825 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.934 -10.241 6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.050 -9.974 8.442 1.00 0.00 H new ATOM 177 N ASP A 16 13.900 -12.005 4.919 1.00 0.00 N ATOM 178 CA ASP A 16 14.110 -12.442 3.543 1.00 0.00 C ATOM 179 C ASP A 16 13.217 -11.663 2.583 1.00 0.00 C ATOM 180 O ASP A 16 13.603 -11.383 1.448 1.00 0.00 O ATOM 181 CB ASP A 16 13.833 -13.941 3.414 1.00 0.00 C ATOM 182 CG ASP A 16 14.741 -14.775 4.297 1.00 0.00 C ATOM 183 OD1 ASP A 16 15.953 -14.480 4.350 1.00 0.00 O ATOM 184 OD2 ASP A 16 14.239 -15.725 4.935 1.00 0.00 O ATOM 0 H ASP A 16 13.634 -12.751 5.562 1.00 0.00 H new ATOM 0 HA ASP A 16 15.150 -12.248 3.281 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.794 -14.139 3.676 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.963 -14.244 2.375 1.00 0.00 H new ATOM 189 N VAL A 17 12.019 -11.317 3.046 1.00 0.00 N ATOM 190 CA VAL A 17 11.071 -10.570 2.229 1.00 0.00 C ATOM 191 C VAL A 17 11.667 -9.246 1.766 1.00 0.00 C ATOM 192 O VAL A 17 11.184 -8.634 0.812 1.00 0.00 O ATOM 193 CB VAL A 17 9.766 -10.291 2.998 1.00 0.00 C ATOM 194 CG1 VAL A 17 8.785 -9.524 2.124 1.00 0.00 C ATOM 195 CG2 VAL A 17 9.150 -11.592 3.490 1.00 0.00 C ATOM 0 H VAL A 17 11.683 -11.542 3.982 1.00 0.00 H new ATOM 0 HA VAL A 17 10.848 -11.188 1.359 1.00 0.00 H new ATOM 0 HB VAL A 17 10.000 -9.675 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.869 -9.336 2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.229 -8.574 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.553 -10.111 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.229 -11.377 4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.928 -12.235 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.851 -12.098 4.154 1.00 0.00 H new ATOM 205 N PHE A 18 12.721 -8.808 2.446 1.00 0.00 N ATOM 206 CA PHE A 18 13.385 -7.554 2.105 1.00 0.00 C ATOM 207 C PHE A 18 14.519 -7.792 1.113 1.00 0.00 C ATOM 208 O PHE A 18 14.842 -6.923 0.303 1.00 0.00 O ATOM 209 CB PHE A 18 13.930 -6.881 3.367 1.00 0.00 C ATOM 210 CG PHE A 18 12.866 -6.542 4.372 1.00 0.00 C ATOM 211 CD1 PHE A 18 12.231 -7.541 5.092 1.00 0.00 C ATOM 212 CD2 PHE A 18 12.502 -5.225 4.597 1.00 0.00 C ATOM 213 CE1 PHE A 18 11.252 -7.232 6.016 1.00 0.00 C ATOM 214 CE2 PHE A 18 11.523 -4.909 5.521 1.00 0.00 C ATOM 215 CZ PHE A 18 10.897 -5.914 6.232 1.00 0.00 C ATOM 0 H PHE A 18 13.134 -9.302 3.237 1.00 0.00 H new ATOM 0 HA PHE A 18 12.650 -6.897 1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.662 -7.540 3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.456 -5.969 3.085 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.505 -8.573 4.929 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.989 -4.435 4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.764 -8.020 6.570 1.00 0.00 H new ATOM 0 HE2 PHE A 18 11.248 -3.878 5.686 1.00 0.00 H new ATOM 0 HZ PHE A 18 10.132 -5.671 6.955 1.00 0.00 H new ATOM 262 N GLU A 22 14.405 -13.537 -3.731 1.00 0.00 N ATOM 263 CA GLU A 22 13.193 -13.890 -4.463 1.00 0.00 C ATOM 264 C GLU A 22 11.962 -13.753 -3.572 1.00 0.00 C ATOM 265 O GLU A 22 10.923 -13.248 -4.000 1.00 0.00 O ATOM 266 CB GLU A 22 13.292 -15.318 -5.001 1.00 0.00 C ATOM 267 CG GLU A 22 12.803 -15.465 -6.432 1.00 0.00 C ATOM 268 CD GLU A 22 11.419 -14.879 -6.638 1.00 0.00 C ATOM 269 OE1 GLU A 22 10.584 -14.994 -5.718 1.00 0.00 O ATOM 270 OE2 GLU A 22 11.173 -14.306 -7.720 1.00 0.00 O ATOM 0 HA GLU A 22 13.092 -13.202 -5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.330 -15.647 -4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.712 -15.980 -4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.506 -14.973 -7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.790 -16.521 -6.701 1.00 0.00 H new ATOM 277 N THR A 23 12.085 -14.209 -2.329 1.00 0.00 N ATOM 278 CA THR A 23 10.983 -14.141 -1.377 1.00 0.00 C ATOM 279 C THR A 23 10.212 -12.833 -1.520 1.00 0.00 C ATOM 280 O THR A 23 8.991 -12.802 -1.372 1.00 0.00 O ATOM 281 CB THR A 23 11.483 -14.272 0.073 1.00 0.00 C ATOM 282 OG1 THR A 23 12.407 -15.361 0.175 1.00 0.00 O ATOM 283 CG2 THR A 23 10.322 -14.495 1.030 1.00 0.00 C ATOM 0 H THR A 23 12.937 -14.629 -1.958 1.00 0.00 H new ATOM 0 HA THR A 23 10.321 -14.977 -1.602 1.00 0.00 H new ATOM 0 HB THR A 23 11.983 -13.343 0.346 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.599 -15.539 1.119 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.702 -14.584 2.048 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.635 -13.651 0.972 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.796 -15.410 0.757 1.00 0.00 H new ATOM 291 N ARG A 24 10.935 -11.755 -1.809 1.00 0.00 N ATOM 292 CA ARG A 24 10.319 -10.444 -1.972 1.00 0.00 C ATOM 293 C ARG A 24 9.159 -10.507 -2.961 1.00 0.00 C ATOM 294 O ARG A 24 8.065 -10.018 -2.682 1.00 0.00 O ATOM 295 CB ARG A 24 11.355 -9.426 -2.450 1.00 0.00 C ATOM 296 CG ARG A 24 10.761 -8.073 -2.806 1.00 0.00 C ATOM 297 CD ARG A 24 11.365 -7.519 -4.087 1.00 0.00 C ATOM 298 NE ARG A 24 12.573 -6.740 -3.830 1.00 0.00 N ATOM 299 CZ ARG A 24 12.561 -5.506 -3.338 1.00 0.00 C ATOM 300 NH1 ARG A 24 11.410 -4.915 -3.049 1.00 0.00 N ATOM 301 NH2 ARG A 24 13.702 -4.862 -3.131 1.00 0.00 N ATOM 0 H ARG A 24 11.947 -11.764 -1.935 1.00 0.00 H new ATOM 0 HA ARG A 24 9.931 -10.130 -1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.105 -9.290 -1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.871 -9.828 -3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.681 -8.168 -2.923 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.933 -7.373 -1.989 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.601 -8.342 -4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.630 -6.892 -4.593 1.00 0.00 H new ATOM 0 HE ARG A 24 13.475 -7.167 -4.040 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.531 -5.408 -3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.404 -3.968 -2.671 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.590 -5.314 -3.350 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.692 -3.915 -2.753 1.00 0.00 H new ATOM 315 N ALA A 25 9.406 -11.112 -4.118 1.00 0.00 N ATOM 316 CA ALA A 25 8.384 -11.241 -5.148 1.00 0.00 C ATOM 317 C ALA A 25 7.140 -11.937 -4.603 1.00 0.00 C ATOM 318 O ALA A 25 6.014 -11.514 -4.866 1.00 0.00 O ATOM 319 CB ALA A 25 8.933 -11.999 -6.347 1.00 0.00 C ATOM 0 H ALA A 25 10.307 -11.521 -4.365 1.00 0.00 H new ATOM 0 HA ALA A 25 8.098 -10.239 -5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.158 -12.087 -7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.786 -11.460 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.249 -12.994 -6.035 1.00 0.00 H new ATOM 325 N LYS A 26 7.353 -13.006 -3.843 1.00 0.00 N ATOM 326 CA LYS A 26 6.249 -13.761 -3.260 1.00 0.00 C ATOM 327 C LYS A 26 5.310 -12.842 -2.486 1.00 0.00 C ATOM 328 O LYS A 26 4.122 -13.132 -2.341 1.00 0.00 O ATOM 329 CB LYS A 26 6.787 -14.856 -2.336 1.00 0.00 C ATOM 330 CG LYS A 26 7.505 -15.975 -3.070 1.00 0.00 C ATOM 331 CD LYS A 26 8.341 -16.818 -2.121 1.00 0.00 C ATOM 332 CE LYS A 26 9.641 -17.265 -2.771 1.00 0.00 C ATOM 333 NZ LYS A 26 9.692 -18.742 -2.953 1.00 0.00 N ATOM 0 H LYS A 26 8.279 -13.369 -3.616 1.00 0.00 H new ATOM 0 HA LYS A 26 5.687 -14.223 -4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.472 -14.408 -1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.959 -15.279 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.775 -16.608 -3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.146 -15.552 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.562 -16.244 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.769 -17.692 -1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.750 -16.776 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.483 -16.946 -2.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.594 -19.006 -3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.614 -19.209 -2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.904 -19.044 -3.560 1.00 0.00 H new ATOM 347 N PHE A 27 5.850 -11.734 -1.991 1.00 0.00 N ATOM 348 CA PHE A 27 5.059 -10.772 -1.232 1.00 0.00 C ATOM 349 C PHE A 27 4.437 -9.728 -2.156 1.00 0.00 C ATOM 350 O PHE A 27 3.287 -9.330 -1.974 1.00 0.00 O ATOM 351 CB PHE A 27 5.928 -10.082 -0.178 1.00 0.00 C ATOM 352 CG PHE A 27 5.321 -8.823 0.370 1.00 0.00 C ATOM 353 CD1 PHE A 27 5.178 -7.702 -0.431 1.00 0.00 C ATOM 354 CD2 PHE A 27 4.894 -8.760 1.687 1.00 0.00 C ATOM 355 CE1 PHE A 27 4.620 -6.541 0.070 1.00 0.00 C ATOM 356 CE2 PHE A 27 4.335 -7.602 2.193 1.00 0.00 C ATOM 357 CZ PHE A 27 4.198 -6.491 1.384 1.00 0.00 C ATOM 0 H PHE A 27 6.832 -11.480 -2.101 1.00 0.00 H new ATOM 0 HA PHE A 27 4.256 -11.315 -0.733 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.108 -10.776 0.643 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.898 -9.847 -0.616 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.506 -7.736 -1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.999 -9.625 2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.514 -5.674 -0.565 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.005 -7.566 3.221 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.762 -5.585 1.778 1.00 0.00 H new ATOM 367 N GLU A 28 5.208 -9.290 -3.147 1.00 0.00 N ATOM 368 CA GLU A 28 4.734 -8.291 -4.098 1.00 0.00 C ATOM 369 C GLU A 28 3.495 -8.789 -4.836 1.00 0.00 C ATOM 370 O GLU A 28 2.419 -8.200 -4.734 1.00 0.00 O ATOM 371 CB GLU A 28 5.836 -7.947 -5.101 1.00 0.00 C ATOM 372 CG GLU A 28 6.533 -6.628 -4.812 1.00 0.00 C ATOM 373 CD GLU A 28 7.310 -6.106 -6.005 1.00 0.00 C ATOM 374 OE1 GLU A 28 6.992 -6.509 -7.143 1.00 0.00 O ATOM 375 OE2 GLU A 28 8.236 -5.294 -5.800 1.00 0.00 O ATOM 0 H GLU A 28 6.162 -9.611 -3.312 1.00 0.00 H new ATOM 0 HA GLU A 28 4.467 -7.393 -3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.577 -8.747 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.406 -7.909 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.791 -5.887 -4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.212 -6.757 -3.969 1.00 0.00 H new ATOM 382 N SER A 29 3.655 -9.879 -5.581 1.00 0.00 N ATOM 383 CA SER A 29 2.552 -10.454 -6.341 1.00 0.00 C ATOM 384 C SER A 29 1.252 -10.392 -5.544 1.00 0.00 C ATOM 385 O SER A 29 0.193 -10.073 -6.085 1.00 0.00 O ATOM 386 CB SER A 29 2.864 -11.905 -6.715 1.00 0.00 C ATOM 387 OG SER A 29 1.907 -12.413 -7.628 1.00 0.00 O ATOM 0 H SER A 29 4.538 -10.381 -5.674 1.00 0.00 H new ATOM 0 HA SER A 29 2.428 -9.869 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.859 -11.964 -7.156 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.876 -12.521 -5.816 1.00 0.00 H new ATOM 0 HG SER A 29 2.129 -13.341 -7.852 1.00 0.00 H new ATOM 393 N LEU A 30 1.341 -10.699 -4.255 1.00 0.00 N ATOM 394 CA LEU A 30 0.173 -10.677 -3.380 1.00 0.00 C ATOM 395 C LEU A 30 -0.726 -9.489 -3.702 1.00 0.00 C ATOM 396 O LEU A 30 -1.935 -9.641 -3.882 1.00 0.00 O ATOM 397 CB LEU A 30 0.609 -10.620 -1.915 1.00 0.00 C ATOM 398 CG LEU A 30 1.613 -11.685 -1.471 1.00 0.00 C ATOM 399 CD1 LEU A 30 1.930 -11.537 0.009 1.00 0.00 C ATOM 400 CD2 LEU A 30 1.078 -13.079 -1.766 1.00 0.00 C ATOM 0 H LEU A 30 2.210 -10.966 -3.792 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.393 -11.593 -3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.043 -9.638 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.279 -10.703 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 30 2.535 -11.544 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.646 -12.303 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.357 -10.551 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.015 -11.650 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.806 -13.824 -1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.141 -13.230 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.903 -13.183 -2.837 1.00 0.00 H new ATOM 412 N PHE A 31 -0.129 -8.304 -3.775 1.00 0.00 N ATOM 413 CA PHE A 31 -0.876 -7.088 -4.076 1.00 0.00 C ATOM 414 C PHE A 31 -0.842 -6.786 -5.572 1.00 0.00 C ATOM 415 O PHE A 31 -1.871 -6.490 -6.179 1.00 0.00 O ATOM 416 CB PHE A 31 -0.303 -5.905 -3.293 1.00 0.00 C ATOM 417 CG PHE A 31 -0.013 -6.223 -1.854 1.00 0.00 C ATOM 418 CD1 PHE A 31 1.191 -6.803 -1.487 1.00 0.00 C ATOM 419 CD2 PHE A 31 -0.945 -5.942 -0.868 1.00 0.00 C ATOM 420 CE1 PHE A 31 1.460 -7.097 -0.164 1.00 0.00 C ATOM 421 CE2 PHE A 31 -0.681 -6.234 0.458 1.00 0.00 C ATOM 422 CZ PHE A 31 0.523 -6.811 0.810 1.00 0.00 C ATOM 0 H PHE A 31 0.870 -8.160 -3.630 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.913 -7.245 -3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.616 -5.571 -3.775 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.007 -5.074 -3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.928 -7.028 -2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.888 -5.490 -1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.402 -7.550 0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.416 -6.011 1.217 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.732 -7.038 1.845 1.00 0.00 H new ATOM 432 N ARG A 32 0.348 -6.864 -6.159 1.00 0.00 N ATOM 433 CA ARG A 32 0.517 -6.597 -7.582 1.00 0.00 C ATOM 434 C ARG A 32 -0.573 -7.288 -8.397 1.00 0.00 C ATOM 435 O ARG A 32 -0.973 -6.803 -9.456 1.00 0.00 O ATOM 436 CB ARG A 32 1.895 -7.066 -8.051 1.00 0.00 C ATOM 437 CG ARG A 32 2.447 -6.266 -9.220 1.00 0.00 C ATOM 438 CD ARG A 32 1.678 -6.549 -10.501 1.00 0.00 C ATOM 439 NE ARG A 32 2.478 -6.276 -11.691 1.00 0.00 N ATOM 440 CZ ARG A 32 3.568 -6.962 -12.017 1.00 0.00 C ATOM 441 NH1 ARG A 32 3.984 -7.956 -11.246 1.00 0.00 N ATOM 442 NH2 ARG A 32 4.243 -6.653 -13.117 1.00 0.00 N ATOM 0 H ARG A 32 1.209 -7.110 -5.671 1.00 0.00 H new ATOM 0 HA ARG A 32 0.436 -5.521 -7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.594 -7.003 -7.217 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.834 -8.116 -8.337 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.395 -5.202 -8.991 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.499 -6.510 -9.365 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.359 -7.591 -10.510 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.775 -5.939 -10.524 1.00 0.00 H new ATOM 0 HE ARG A 32 2.184 -5.517 -12.306 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.467 -8.196 -10.400 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.821 -8.481 -11.498 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.925 -5.888 -13.713 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.080 -7.180 -13.367 1.00 0.00 H new ATOM 456 N THR A 33 -1.048 -8.424 -7.897 1.00 0.00 N ATOM 457 CA THR A 33 -2.089 -9.183 -8.579 1.00 0.00 C ATOM 458 C THR A 33 -3.293 -8.303 -8.896 1.00 0.00 C ATOM 459 O THR A 33 -3.855 -8.374 -9.989 1.00 0.00 O ATOM 460 CB THR A 33 -2.553 -10.384 -7.735 1.00 0.00 C ATOM 461 OG1 THR A 33 -3.085 -11.406 -8.586 1.00 0.00 O ATOM 462 CG2 THR A 33 -3.607 -9.959 -6.723 1.00 0.00 C ATOM 0 H THR A 33 -0.728 -8.839 -7.022 1.00 0.00 H new ATOM 0 HA THR A 33 -1.655 -9.549 -9.510 1.00 0.00 H new ATOM 0 HB THR A 33 -1.691 -10.775 -7.195 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.376 -12.167 -8.041 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.920 -10.824 -6.138 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.189 -9.203 -6.058 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.468 -9.545 -7.247 1.00 0.00 H new ATOM 470 N TYR A 34 -3.683 -7.474 -7.934 1.00 0.00 N ATOM 471 CA TYR A 34 -4.822 -6.581 -8.110 1.00 0.00 C ATOM 472 C TYR A 34 -4.465 -5.419 -9.032 1.00 0.00 C ATOM 473 O TYR A 34 -4.982 -5.313 -10.145 1.00 0.00 O ATOM 474 CB TYR A 34 -5.291 -6.046 -6.756 1.00 0.00 C ATOM 475 CG TYR A 34 -5.470 -7.123 -5.709 1.00 0.00 C ATOM 476 CD1 TYR A 34 -6.637 -7.876 -5.653 1.00 0.00 C ATOM 477 CD2 TYR A 34 -4.474 -7.386 -4.777 1.00 0.00 C ATOM 478 CE1 TYR A 34 -6.805 -8.859 -4.697 1.00 0.00 C ATOM 479 CE2 TYR A 34 -4.633 -8.368 -3.820 1.00 0.00 C ATOM 480 CZ TYR A 34 -5.801 -9.102 -3.783 1.00 0.00 C ATOM 481 OH TYR A 34 -5.965 -10.083 -2.831 1.00 0.00 O ATOM 0 H TYR A 34 -3.227 -7.402 -7.024 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.631 -7.150 -8.568 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.568 -5.315 -6.393 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.236 -5.520 -6.890 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.425 -7.690 -6.368 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.559 -6.812 -4.802 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.718 -9.435 -4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.848 -8.561 -3.104 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.166 -10.127 -2.266 1.00 0.00 H new ATOM 491 N ASP A 35 -3.578 -4.550 -8.562 1.00 0.00 N ATOM 492 CA ASP A 35 -3.150 -3.396 -9.344 1.00 0.00 C ATOM 493 C ASP A 35 -1.727 -3.587 -9.861 1.00 0.00 C ATOM 494 O ASP A 35 -0.866 -4.115 -9.158 1.00 0.00 O ATOM 495 CB ASP A 35 -3.233 -2.122 -8.501 1.00 0.00 C ATOM 496 CG ASP A 35 -3.936 -0.991 -9.227 1.00 0.00 C ATOM 497 OD1 ASP A 35 -3.353 -0.454 -10.190 1.00 0.00 O ATOM 498 OD2 ASP A 35 -5.068 -0.645 -8.830 1.00 0.00 O ATOM 0 H ASP A 35 -3.141 -4.622 -7.643 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.818 -3.300 -10.200 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.762 -2.338 -7.573 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.227 -1.804 -8.228 1.00 0.00 H new ATOM 503 N LYS A 36 -1.488 -3.153 -11.094 1.00 0.00 N ATOM 504 CA LYS A 36 -0.170 -3.275 -11.706 1.00 0.00 C ATOM 505 C LYS A 36 0.657 -2.016 -11.471 1.00 0.00 C ATOM 506 O LYS A 36 1.875 -2.018 -11.658 1.00 0.00 O ATOM 507 CB LYS A 36 -0.305 -3.538 -13.208 1.00 0.00 C ATOM 508 CG LYS A 36 -0.941 -4.877 -13.536 1.00 0.00 C ATOM 509 CD LYS A 36 -0.264 -5.539 -14.725 1.00 0.00 C ATOM 510 CE LYS A 36 -1.253 -5.818 -15.846 1.00 0.00 C ATOM 511 NZ LYS A 36 -0.656 -5.571 -17.188 1.00 0.00 N ATOM 0 H LYS A 36 -2.190 -2.714 -11.689 1.00 0.00 H new ATOM 0 HA LYS A 36 0.343 -4.117 -11.241 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.901 -2.743 -13.655 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.683 -3.492 -13.667 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.878 -5.533 -12.668 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.000 -4.735 -13.752 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.535 -4.896 -15.095 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.200 -6.473 -14.407 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.590 -6.853 -15.784 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.133 -5.188 -15.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.362 -5.773 -17.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.357 -4.577 -17.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.169 -6.190 -17.320 1.00 0.00 H new ATOM 525 N ASP A 37 -0.009 -0.944 -11.061 1.00 0.00 N ATOM 526 CA ASP A 37 0.666 0.322 -10.798 1.00 0.00 C ATOM 527 C ASP A 37 0.897 0.514 -9.302 1.00 0.00 C ATOM 528 O ASP A 37 1.016 1.642 -8.821 1.00 0.00 O ATOM 529 CB ASP A 37 -0.154 1.487 -11.354 1.00 0.00 C ATOM 530 CG ASP A 37 0.610 2.292 -12.386 1.00 0.00 C ATOM 531 OD1 ASP A 37 1.851 2.370 -12.278 1.00 0.00 O ATOM 532 OD2 ASP A 37 -0.034 2.846 -13.302 1.00 0.00 O ATOM 0 H ASP A 37 -1.017 -0.925 -10.903 1.00 0.00 H new ATOM 0 HA ASP A 37 1.635 0.300 -11.297 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.069 1.102 -11.803 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.452 2.141 -10.535 1.00 0.00 H new ATOM 537 N THR A 38 0.959 -0.594 -8.571 1.00 0.00 N ATOM 538 CA THR A 38 1.173 -0.548 -7.130 1.00 0.00 C ATOM 539 C THR A 38 2.656 -0.423 -6.798 1.00 0.00 C ATOM 540 O THR A 38 3.460 -1.282 -7.165 1.00 0.00 O ATOM 541 CB THR A 38 0.607 -1.801 -6.436 1.00 0.00 C ATOM 542 OG1 THR A 38 0.357 -2.826 -7.406 1.00 0.00 O ATOM 543 CG2 THR A 38 -0.680 -1.474 -5.694 1.00 0.00 C ATOM 0 H THR A 38 0.864 -1.535 -8.953 1.00 0.00 H new ATOM 0 HA THR A 38 0.645 0.331 -6.761 1.00 0.00 H new ATOM 0 HB THR A 38 1.344 -2.154 -5.714 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.610 -2.944 -7.515 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.061 -2.374 -5.212 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.481 -0.714 -4.938 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.421 -1.099 -6.399 1.00 0.00 H new ATOM 551 N THR A 39 3.015 0.650 -6.101 1.00 0.00 N ATOM 552 CA THR A 39 4.400 0.886 -5.719 1.00 0.00 C ATOM 553 C THR A 39 4.705 0.287 -4.351 1.00 0.00 C ATOM 554 O THR A 39 3.927 0.440 -3.409 1.00 0.00 O ATOM 555 CB THR A 39 4.727 2.391 -5.693 1.00 0.00 C ATOM 556 OG1 THR A 39 3.710 3.101 -4.978 1.00 0.00 O ATOM 557 CG2 THR A 39 4.841 2.946 -7.104 1.00 0.00 C ATOM 0 H THR A 39 2.364 1.370 -5.789 1.00 0.00 H new ATOM 0 HA THR A 39 5.021 0.399 -6.471 1.00 0.00 H new ATOM 0 HB THR A 39 5.685 2.522 -5.190 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.926 4.057 -4.965 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.072 4.010 -7.059 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.636 2.424 -7.637 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.897 2.802 -7.629 1.00 0.00 H new ATOM 565 N PHE A 40 5.842 -0.394 -4.247 1.00 0.00 N ATOM 566 CA PHE A 40 6.248 -1.016 -2.993 1.00 0.00 C ATOM 567 C PHE A 40 7.482 -0.325 -2.419 1.00 0.00 C ATOM 568 O PHE A 40 8.455 -0.080 -3.130 1.00 0.00 O ATOM 569 CB PHE A 40 6.536 -2.504 -3.207 1.00 0.00 C ATOM 570 CG PHE A 40 5.388 -3.253 -3.821 1.00 0.00 C ATOM 571 CD1 PHE A 40 5.041 -3.051 -5.148 1.00 0.00 C ATOM 572 CD2 PHE A 40 4.656 -4.160 -3.072 1.00 0.00 C ATOM 573 CE1 PHE A 40 3.986 -3.739 -5.715 1.00 0.00 C ATOM 574 CE2 PHE A 40 3.599 -4.851 -3.634 1.00 0.00 C ATOM 575 CZ PHE A 40 3.265 -4.642 -4.957 1.00 0.00 C ATOM 0 H PHE A 40 6.498 -0.529 -5.016 1.00 0.00 H new ATOM 0 HA PHE A 40 5.429 -0.910 -2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.412 -2.608 -3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.786 -2.959 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.602 -2.348 -5.745 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.914 -4.329 -2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.725 -3.571 -6.749 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.035 -5.554 -3.039 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.442 -5.183 -5.399 1.00 0.00 H new ATOM 585 N GLN A 41 7.431 -0.015 -1.127 1.00 0.00 N ATOM 586 CA GLN A 41 8.543 0.649 -0.457 1.00 0.00 C ATOM 587 C GLN A 41 8.929 -0.091 0.820 1.00 0.00 C ATOM 588 O GLN A 41 8.223 -0.020 1.827 1.00 0.00 O ATOM 589 CB GLN A 41 8.178 2.098 -0.131 1.00 0.00 C ATOM 590 CG GLN A 41 8.891 3.117 -1.007 1.00 0.00 C ATOM 591 CD GLN A 41 8.537 4.546 -0.645 1.00 0.00 C ATOM 592 OE1 GLN A 41 8.071 4.821 0.461 1.00 0.00 O ATOM 593 NE2 GLN A 41 8.759 5.464 -1.577 1.00 0.00 N ATOM 0 H GLN A 41 6.632 -0.213 -0.524 1.00 0.00 H new ATOM 0 HA GLN A 41 9.398 0.641 -1.132 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.101 2.226 -0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.417 2.298 0.913 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.968 2.979 -0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.634 2.936 -2.051 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.147 5.191 -2.480 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.542 6.443 -1.390 1.00 0.00 H new ATOM 602 N TYR A 42 10.051 -0.800 0.771 1.00 0.00 N ATOM 603 CA TYR A 42 10.528 -1.555 1.923 1.00 0.00 C ATOM 604 C TYR A 42 11.498 -0.722 2.756 1.00 0.00 C ATOM 605 O TYR A 42 12.473 -0.179 2.238 1.00 0.00 O ATOM 606 CB TYR A 42 11.210 -2.845 1.466 1.00 0.00 C ATOM 607 CG TYR A 42 10.289 -3.787 0.725 1.00 0.00 C ATOM 608 CD1 TYR A 42 10.036 -3.620 -0.631 1.00 0.00 C ATOM 609 CD2 TYR A 42 9.673 -4.846 1.381 1.00 0.00 C ATOM 610 CE1 TYR A 42 9.194 -4.478 -1.312 1.00 0.00 C ATOM 611 CE2 TYR A 42 8.831 -5.710 0.707 1.00 0.00 C ATOM 612 CZ TYR A 42 8.594 -5.522 -0.638 1.00 0.00 C ATOM 613 OH TYR A 42 7.756 -6.380 -1.314 1.00 0.00 O ATOM 0 H TYR A 42 10.647 -0.868 -0.054 1.00 0.00 H new ATOM 0 HA TYR A 42 9.667 -1.806 2.543 1.00 0.00 H new ATOM 0 HB2 TYR A 42 12.052 -2.592 0.822 1.00 0.00 H new ATOM 0 HB3 TYR A 42 11.618 -3.359 2.337 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.506 -2.805 -1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.855 -4.996 2.435 1.00 0.00 H new ATOM 0 HE1 TYR A 42 9.007 -4.332 -2.366 1.00 0.00 H new ATOM 0 HE2 TYR A 42 8.361 -6.529 1.231 1.00 0.00 H new ATOM 0 HH TYR A 42 7.012 -6.637 -0.731 1.00 0.00 H new ATOM 623 N PHE A 43 11.222 -0.626 4.053 1.00 0.00 N ATOM 624 CA PHE A 43 12.066 0.140 4.960 1.00 0.00 C ATOM 625 C PHE A 43 12.814 -0.783 5.918 1.00 0.00 C ATOM 626 O PHE A 43 12.278 -1.196 6.947 1.00 0.00 O ATOM 627 CB PHE A 43 11.225 1.142 5.753 1.00 0.00 C ATOM 628 CG PHE A 43 10.512 2.142 4.888 1.00 0.00 C ATOM 629 CD1 PHE A 43 11.219 2.941 4.003 1.00 0.00 C ATOM 630 CD2 PHE A 43 9.136 2.285 4.962 1.00 0.00 C ATOM 631 CE1 PHE A 43 10.566 3.862 3.206 1.00 0.00 C ATOM 632 CE2 PHE A 43 8.477 3.204 4.167 1.00 0.00 C ATOM 633 CZ PHE A 43 9.194 3.995 3.288 1.00 0.00 C ATOM 0 H PHE A 43 10.419 -1.070 4.499 1.00 0.00 H new ATOM 0 HA PHE A 43 12.797 0.684 4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.491 0.598 6.347 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.871 1.673 6.452 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.292 2.843 3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.572 1.671 5.649 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.128 4.477 2.519 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.404 3.304 4.232 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.682 4.715 2.667 1.00 0.00 H new ATOM 643 N LYS A 44 14.056 -1.104 5.572 1.00 0.00 N ATOM 644 CA LYS A 44 14.880 -1.979 6.400 1.00 0.00 C ATOM 645 C LYS A 44 15.121 -1.359 7.773 1.00 0.00 C ATOM 646 O LYS A 44 15.541 -2.042 8.707 1.00 0.00 O ATOM 647 CB LYS A 44 16.217 -2.255 5.710 1.00 0.00 C ATOM 648 CG LYS A 44 16.463 -3.727 5.428 1.00 0.00 C ATOM 649 CD LYS A 44 16.566 -4.532 6.713 1.00 0.00 C ATOM 650 CE LYS A 44 17.853 -5.342 6.763 1.00 0.00 C ATOM 651 NZ LYS A 44 17.924 -6.339 5.658 1.00 0.00 N ATOM 0 H LYS A 44 14.515 -0.772 4.724 1.00 0.00 H new ATOM 0 HA LYS A 44 14.347 -2.920 6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.253 -1.703 4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.024 -1.873 6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.653 -4.121 4.815 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.382 -3.839 4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.525 -3.859 7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.710 -5.202 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.708 -4.669 6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.921 -5.857 7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.648 -7.052 5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.001 -6.805 5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.173 -5.857 4.771 1.00 0.00 H new ATOM 665 N SER A 45 14.852 -0.063 7.887 1.00 0.00 N ATOM 666 CA SER A 45 15.042 0.650 9.146 1.00 0.00 C ATOM 667 C SER A 45 13.903 0.351 10.116 1.00 0.00 C ATOM 668 O SER A 45 14.133 0.068 11.293 1.00 0.00 O ATOM 669 CB SER A 45 15.133 2.156 8.895 1.00 0.00 C ATOM 670 OG SER A 45 16.332 2.489 8.217 1.00 0.00 O ATOM 0 H SER A 45 14.502 0.516 7.123 1.00 0.00 H new ATOM 0 HA SER A 45 15.975 0.307 9.593 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.276 2.482 8.306 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.088 2.689 9.845 1.00 0.00 H new ATOM 0 HG SER A 45 16.365 3.457 8.067 1.00 0.00 H new ATOM 676 N PHE A 46 12.675 0.415 9.615 1.00 0.00 N ATOM 677 CA PHE A 46 11.499 0.154 10.436 1.00 0.00 C ATOM 678 C PHE A 46 10.870 -1.188 10.073 1.00 0.00 C ATOM 679 O PHE A 46 9.729 -1.471 10.440 1.00 0.00 O ATOM 680 CB PHE A 46 10.472 1.276 10.266 1.00 0.00 C ATOM 681 CG PHE A 46 11.053 2.651 10.426 1.00 0.00 C ATOM 682 CD1 PHE A 46 11.674 3.283 9.360 1.00 0.00 C ATOM 683 CD2 PHE A 46 10.978 3.312 11.641 1.00 0.00 C ATOM 684 CE1 PHE A 46 12.210 4.548 9.506 1.00 0.00 C ATOM 685 CE2 PHE A 46 11.513 4.578 11.791 1.00 0.00 C ATOM 686 CZ PHE A 46 12.129 5.197 10.723 1.00 0.00 C ATOM 0 H PHE A 46 12.468 0.646 8.643 1.00 0.00 H new ATOM 0 HA PHE A 46 11.815 0.117 11.479 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.018 1.195 9.278 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.674 1.141 10.996 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.740 2.782 8.406 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.496 2.833 12.481 1.00 0.00 H new ATOM 0 HE1 PHE A 46 12.693 5.030 8.668 1.00 0.00 H new ATOM 0 HE2 PHE A 46 11.449 5.082 12.744 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.547 6.186 10.838 1.00 0.00 H new ATOM 696 N LYS A 47 11.621 -2.010 9.348 1.00 0.00 N ATOM 697 CA LYS A 47 11.139 -3.322 8.935 1.00 0.00 C ATOM 698 C LYS A 47 9.678 -3.254 8.502 1.00 0.00 C ATOM 699 O LYS A 47 8.930 -4.221 8.655 1.00 0.00 O ATOM 700 CB LYS A 47 11.297 -4.329 10.076 1.00 0.00 C ATOM 701 CG LYS A 47 12.740 -4.715 10.352 1.00 0.00 C ATOM 702 CD LYS A 47 13.198 -5.844 9.445 1.00 0.00 C ATOM 703 CE LYS A 47 13.119 -7.192 10.148 1.00 0.00 C ATOM 704 NZ LYS A 47 12.244 -8.148 9.415 1.00 0.00 N ATOM 0 H LYS A 47 12.566 -1.790 9.034 1.00 0.00 H new ATOM 0 HA LYS A 47 11.737 -3.649 8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.862 -3.909 10.983 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.729 -5.228 9.837 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.384 -3.847 10.208 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.843 -5.019 11.394 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.580 -5.864 8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.223 -5.660 9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.120 -7.613 10.240 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.738 -7.053 11.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.569 -9.120 9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.264 -8.045 9.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.288 -7.947 8.396 1.00 0.00 H new ATOM 718 N ARG A 48 9.279 -2.108 7.960 1.00 0.00 N ATOM 719 CA ARG A 48 7.909 -1.915 7.504 1.00 0.00 C ATOM 720 C ARG A 48 7.832 -1.948 5.981 1.00 0.00 C ATOM 721 O ARG A 48 8.851 -1.860 5.294 1.00 0.00 O ATOM 722 CB ARG A 48 7.357 -0.586 8.024 1.00 0.00 C ATOM 723 CG ARG A 48 6.719 -0.688 9.399 1.00 0.00 C ATOM 724 CD ARG A 48 6.085 0.630 9.817 1.00 0.00 C ATOM 725 NE ARG A 48 5.007 0.435 10.784 1.00 0.00 N ATOM 726 CZ ARG A 48 4.397 1.433 11.415 1.00 0.00 C ATOM 727 NH1 ARG A 48 4.756 2.687 11.181 1.00 0.00 N ATOM 728 NH2 ARG A 48 3.425 1.176 12.280 1.00 0.00 N ATOM 0 H ARG A 48 9.886 -1.299 7.826 1.00 0.00 H new ATOM 0 HA ARG A 48 7.304 -2.731 7.899 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.166 0.144 8.061 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.618 -0.208 7.317 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.962 -1.472 9.393 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.473 -0.979 10.131 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.847 1.278 10.249 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.695 1.140 8.936 1.00 0.00 H new ATOM 0 HE ARG A 48 4.706 -0.519 10.986 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.502 2.888 10.515 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.286 3.451 11.667 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.145 0.212 12.461 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.957 1.942 12.764 1.00 0.00 H new ATOM 742 N VAL A 49 6.617 -2.078 5.456 1.00 0.00 N ATOM 743 CA VAL A 49 6.407 -2.122 4.014 1.00 0.00 C ATOM 744 C VAL A 49 5.266 -1.201 3.596 1.00 0.00 C ATOM 745 O VAL A 49 4.113 -1.418 3.965 1.00 0.00 O ATOM 746 CB VAL A 49 6.097 -3.553 3.537 1.00 0.00 C ATOM 747 CG1 VAL A 49 6.200 -3.644 2.021 1.00 0.00 C ATOM 748 CG2 VAL A 49 7.032 -4.551 4.203 1.00 0.00 C ATOM 0 H VAL A 49 5.763 -2.155 6.009 1.00 0.00 H new ATOM 0 HA VAL A 49 7.332 -1.783 3.548 1.00 0.00 H new ATOM 0 HB VAL A 49 5.075 -3.800 3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.978 -4.662 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.486 -2.957 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.210 -3.378 1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.799 -5.557 3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.064 -4.309 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.905 -4.503 5.284 1.00 0.00 H new ATOM 758 N ARG A 50 5.598 -0.171 2.823 1.00 0.00 N ATOM 759 CA ARG A 50 4.602 0.784 2.356 1.00 0.00 C ATOM 760 C ARG A 50 4.185 0.476 0.921 1.00 0.00 C ATOM 761 O ARG A 50 4.997 0.549 -0.002 1.00 0.00 O ATOM 762 CB ARG A 50 5.151 2.210 2.443 1.00 0.00 C ATOM 763 CG ARG A 50 4.270 3.154 3.244 1.00 0.00 C ATOM 764 CD ARG A 50 4.321 4.570 2.691 1.00 0.00 C ATOM 765 NE ARG A 50 4.327 5.572 3.754 1.00 0.00 N ATOM 766 CZ ARG A 50 4.690 6.837 3.567 1.00 0.00 C ATOM 767 NH1 ARG A 50 5.072 7.251 2.368 1.00 0.00 N ATOM 768 NH2 ARG A 50 4.668 7.690 4.583 1.00 0.00 N ATOM 0 H ARG A 50 6.549 0.022 2.508 1.00 0.00 H new ATOM 0 HA ARG A 50 3.725 0.699 2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.143 2.181 2.894 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.271 2.606 1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.241 2.794 3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.592 3.157 4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.214 4.688 2.077 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.462 4.736 2.041 1.00 0.00 H new ATOM 0 HE ARG A 50 4.037 5.286 4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.088 6.598 1.584 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.350 8.222 2.228 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.373 7.375 5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.946 8.661 4.440 1.00 0.00 H new ATOM 782 N ILE A 51 2.915 0.131 0.741 1.00 0.00 N ATOM 783 CA ILE A 51 2.390 -0.187 -0.581 1.00 0.00 C ATOM 784 C ILE A 51 1.365 0.849 -1.031 1.00 0.00 C ATOM 785 O ILE A 51 0.299 0.982 -0.433 1.00 0.00 O ATOM 786 CB ILE A 51 1.737 -1.582 -0.606 1.00 0.00 C ATOM 787 CG1 ILE A 51 2.728 -2.642 -0.123 1.00 0.00 C ATOM 788 CG2 ILE A 51 1.243 -1.911 -2.007 1.00 0.00 C ATOM 789 CD1 ILE A 51 2.245 -3.415 1.085 1.00 0.00 C ATOM 0 H ILE A 51 2.230 0.064 1.494 1.00 0.00 H new ATOM 0 HA ILE A 51 3.237 -0.178 -1.267 1.00 0.00 H new ATOM 0 HB ILE A 51 0.881 -1.578 0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.925 -3.341 -0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.675 -2.159 0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.784 -2.900 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.507 -1.169 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.083 -1.900 -2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.998 -4.149 1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.075 -2.727 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.314 -3.927 0.841 1.00 0.00 H new ATOM 801 N ASN A 52 1.697 1.580 -2.091 1.00 0.00 N ATOM 802 CA ASN A 52 0.806 2.604 -2.622 1.00 0.00 C ATOM 803 C ASN A 52 0.045 2.085 -3.838 1.00 0.00 C ATOM 804 O ASN A 52 0.644 1.714 -4.848 1.00 0.00 O ATOM 805 CB ASN A 52 1.600 3.855 -3.000 1.00 0.00 C ATOM 806 CG ASN A 52 0.914 5.132 -2.555 1.00 0.00 C ATOM 807 OD1 ASN A 52 -0.057 5.575 -3.169 1.00 0.00 O ATOM 808 ND2 ASN A 52 1.416 5.732 -1.481 1.00 0.00 N ATOM 0 H ASN A 52 2.576 1.482 -2.598 1.00 0.00 H new ATOM 0 HA ASN A 52 0.085 2.860 -1.846 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.591 3.803 -2.550 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.742 3.879 -4.081 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.995 6.594 -1.135 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.222 5.330 -1.002 1.00 0.00 H new ATOM 815 N PHE A 53 -1.280 2.063 -3.735 1.00 0.00 N ATOM 816 CA PHE A 53 -2.124 1.589 -4.826 1.00 0.00 C ATOM 817 C PHE A 53 -2.597 2.753 -5.693 1.00 0.00 C ATOM 818 O PHE A 53 -2.425 3.918 -5.335 1.00 0.00 O ATOM 819 CB PHE A 53 -3.329 0.828 -4.274 1.00 0.00 C ATOM 820 CG PHE A 53 -2.956 -0.387 -3.472 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.201 -0.264 -2.317 1.00 0.00 C ATOM 822 CD2 PHE A 53 -3.361 -1.649 -3.874 1.00 0.00 C ATOM 823 CE1 PHE A 53 -1.855 -1.381 -1.578 1.00 0.00 C ATOM 824 CE2 PHE A 53 -3.017 -2.769 -3.138 1.00 0.00 C ATOM 825 CZ PHE A 53 -2.266 -2.634 -1.988 1.00 0.00 C ATOM 0 H PHE A 53 -1.792 2.368 -2.907 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.530 0.916 -5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.917 1.500 -3.649 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.967 0.524 -5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.879 0.714 -1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.952 -1.760 -4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.264 -1.273 -0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.336 -3.748 -3.463 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.000 -3.507 -1.410 1.00 0.00 H new ATOM 835 N SER A 54 -3.192 2.428 -6.836 1.00 0.00 N ATOM 836 CA SER A 54 -3.686 3.445 -7.758 1.00 0.00 C ATOM 837 C SER A 54 -5.139 3.795 -7.451 1.00 0.00 C ATOM 838 O SER A 54 -5.682 4.762 -7.985 1.00 0.00 O ATOM 839 CB SER A 54 -3.560 2.960 -9.202 1.00 0.00 C ATOM 840 OG SER A 54 -4.206 3.849 -10.097 1.00 0.00 O ATOM 0 H SER A 54 -3.344 1.468 -7.146 1.00 0.00 H new ATOM 0 HA SER A 54 -3.079 4.342 -7.631 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.507 2.872 -9.469 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.996 1.965 -9.294 1.00 0.00 H new ATOM 0 HG SER A 54 -4.774 4.467 -9.591 1.00 0.00 H new ATOM 846 N ASN A 55 -5.763 3.001 -6.587 1.00 0.00 N ATOM 847 CA ASN A 55 -7.154 3.226 -6.210 1.00 0.00 C ATOM 848 C ASN A 55 -7.417 2.739 -4.787 1.00 0.00 C ATOM 849 O ASN A 55 -6.860 1.739 -4.334 1.00 0.00 O ATOM 850 CB ASN A 55 -8.091 2.511 -7.186 1.00 0.00 C ATOM 851 CG ASN A 55 -7.827 1.020 -7.254 1.00 0.00 C ATOM 852 OD1 ASN A 55 -6.752 0.550 -6.879 1.00 0.00 O ATOM 853 ND2 ASN A 55 -8.809 0.266 -7.733 1.00 0.00 N ATOM 0 H ASN A 55 -5.328 2.197 -6.135 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.347 4.298 -6.251 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.124 2.681 -6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.975 2.943 -8.180 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.689 -0.745 -7.802 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.684 0.697 -8.032 1.00 0.00 H new ATOM 860 N PRO A 56 -8.286 3.462 -4.066 1.00 0.00 N ATOM 861 CA PRO A 56 -8.645 3.123 -2.686 1.00 0.00 C ATOM 862 C PRO A 56 -9.480 1.851 -2.599 1.00 0.00 C ATOM 863 O PRO A 56 -9.604 1.248 -1.531 1.00 0.00 O ATOM 864 CB PRO A 56 -9.462 4.332 -2.223 1.00 0.00 C ATOM 865 CG PRO A 56 -10.019 4.913 -3.477 1.00 0.00 C ATOM 866 CD PRO A 56 -8.988 4.666 -4.543 1.00 0.00 C ATOM 0 HA PRO A 56 -7.765 2.927 -2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.256 4.035 -1.537 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.838 5.053 -1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.968 4.444 -3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.212 5.979 -3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.449 4.503 -5.517 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.309 5.512 -4.649 1.00 0.00 H new ATOM 874 N LEU A 57 -10.051 1.447 -3.728 1.00 0.00 N ATOM 875 CA LEU A 57 -10.876 0.243 -3.780 1.00 0.00 C ATOM 876 C LEU A 57 -10.045 -0.999 -3.476 1.00 0.00 C ATOM 877 O LEU A 57 -10.282 -1.690 -2.486 1.00 0.00 O ATOM 878 CB LEU A 57 -11.532 0.111 -5.155 1.00 0.00 C ATOM 879 CG LEU A 57 -12.696 1.059 -5.439 1.00 0.00 C ATOM 880 CD1 LEU A 57 -12.537 1.705 -6.807 1.00 0.00 C ATOM 881 CD2 LEU A 57 -14.023 0.319 -5.347 1.00 0.00 C ATOM 0 H LEU A 57 -9.959 1.934 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.654 0.330 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.768 0.269 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.888 -0.913 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.690 1.846 -4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.375 2.377 -6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.606 2.270 -6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.516 0.931 -7.575 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.840 1.010 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.040 -0.490 -6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.140 -0.094 -4.345 1.00 0.00 H new ATOM 893 N SER A 58 -9.070 -1.277 -4.336 1.00 0.00 N ATOM 894 CA SER A 58 -8.205 -2.437 -4.160 1.00 0.00 C ATOM 895 C SER A 58 -7.582 -2.447 -2.768 1.00 0.00 C ATOM 896 O SER A 58 -7.648 -3.446 -2.053 1.00 0.00 O ATOM 897 CB SER A 58 -7.104 -2.445 -5.224 1.00 0.00 C ATOM 898 OG SER A 58 -7.044 -3.695 -5.888 1.00 0.00 O ATOM 0 H SER A 58 -8.860 -0.715 -5.161 1.00 0.00 H new ATOM 0 HA SER A 58 -8.816 -3.333 -4.271 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.290 -1.653 -5.950 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.142 -2.231 -4.758 1.00 0.00 H new ATOM 0 HG SER A 58 -6.935 -3.549 -6.851 1.00 0.00 H new ATOM 904 N ALA A 59 -6.977 -1.325 -2.390 1.00 0.00 N ATOM 905 CA ALA A 59 -6.343 -1.201 -1.083 1.00 0.00 C ATOM 906 C ALA A 59 -7.153 -1.921 -0.011 1.00 0.00 C ATOM 907 O ALA A 59 -6.592 -2.517 0.909 1.00 0.00 O ATOM 908 CB ALA A 59 -6.167 0.265 -0.719 1.00 0.00 C ATOM 0 H ALA A 59 -6.913 -0.489 -2.971 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.361 -1.671 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.693 0.343 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.541 0.753 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.142 0.752 -0.689 1.00 0.00 H new ATOM 914 N ALA A 60 -8.475 -1.862 -0.134 1.00 0.00 N ATOM 915 CA ALA A 60 -9.362 -2.508 0.824 1.00 0.00 C ATOM 916 C ALA A 60 -9.285 -4.027 0.704 1.00 0.00 C ATOM 917 O ALA A 60 -8.879 -4.713 1.642 1.00 0.00 O ATOM 918 CB ALA A 60 -10.793 -2.033 0.623 1.00 0.00 C ATOM 0 H ALA A 60 -8.955 -1.372 -0.889 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.037 -2.231 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.444 -2.524 1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.841 -0.953 0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.120 -2.280 -0.387 1.00 0.00 H new ATOM 924 N ASP A 61 -9.678 -4.544 -0.453 1.00 0.00 N ATOM 925 CA ASP A 61 -9.653 -5.983 -0.696 1.00 0.00 C ATOM 926 C ASP A 61 -8.282 -6.565 -0.368 1.00 0.00 C ATOM 927 O ASP A 61 -8.169 -7.523 0.397 1.00 0.00 O ATOM 928 CB ASP A 61 -10.014 -6.283 -2.151 1.00 0.00 C ATOM 929 CG ASP A 61 -11.228 -7.182 -2.273 1.00 0.00 C ATOM 930 OD1 ASP A 61 -11.061 -8.417 -2.203 1.00 0.00 O ATOM 931 OD2 ASP A 61 -12.346 -6.650 -2.439 1.00 0.00 O ATOM 0 H ASP A 61 -10.018 -3.989 -1.239 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.391 -6.450 -0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.205 -5.347 -2.675 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.164 -6.756 -2.643 1.00 0.00 H new ATOM 936 N ALA A 62 -7.241 -5.981 -0.953 1.00 0.00 N ATOM 937 CA ALA A 62 -5.877 -6.442 -0.724 1.00 0.00 C ATOM 938 C ALA A 62 -5.668 -6.830 0.737 1.00 0.00 C ATOM 939 O ALA A 62 -4.820 -7.665 1.051 1.00 0.00 O ATOM 940 CB ALA A 62 -4.881 -5.367 -1.134 1.00 0.00 C ATOM 0 H ALA A 62 -7.316 -5.187 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.711 -7.328 -1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.867 -5.725 -0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.007 -5.139 -2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.055 -4.466 -0.546 1.00 0.00 H new ATOM 946 N ARG A 63 -6.446 -6.219 1.624 1.00 0.00 N ATOM 947 CA ARG A 63 -6.343 -6.500 3.051 1.00 0.00 C ATOM 948 C ARG A 63 -7.221 -7.687 3.435 1.00 0.00 C ATOM 949 O ARG A 63 -6.744 -8.664 4.014 1.00 0.00 O ATOM 950 CB ARG A 63 -6.747 -5.269 3.865 1.00 0.00 C ATOM 951 CG ARG A 63 -6.833 -5.529 5.359 1.00 0.00 C ATOM 952 CD ARG A 63 -7.699 -4.490 6.057 1.00 0.00 C ATOM 953 NE ARG A 63 -8.473 -5.069 7.152 1.00 0.00 N ATOM 954 CZ ARG A 63 -9.291 -4.364 7.925 1.00 0.00 C ATOM 955 NH1 ARG A 63 -9.442 -3.062 7.723 1.00 0.00 N ATOM 956 NH2 ARG A 63 -9.962 -4.962 8.902 1.00 0.00 N ATOM 0 H ARG A 63 -7.154 -5.527 1.380 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.306 -6.750 3.273 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.026 -4.472 3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.714 -4.911 3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.244 -6.523 5.533 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.832 -5.518 5.790 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.066 -3.691 6.443 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.377 -4.038 5.333 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.380 -6.069 7.333 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.929 -2.600 6.972 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.071 -2.523 8.318 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.849 -5.963 9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.590 -4.420 9.495 1.00 0.00 H new ATOM 970 N LEU A 64 -8.506 -7.596 3.111 1.00 0.00 N ATOM 971 CA LEU A 64 -9.451 -8.662 3.422 1.00 0.00 C ATOM 972 C LEU A 64 -8.946 -10.006 2.907 1.00 0.00 C ATOM 973 O LEU A 64 -9.246 -11.054 3.479 1.00 0.00 O ATOM 974 CB LEU A 64 -10.820 -8.353 2.812 1.00 0.00 C ATOM 975 CG LEU A 64 -11.233 -9.212 1.617 1.00 0.00 C ATOM 976 CD1 LEU A 64 -11.703 -10.582 2.083 1.00 0.00 C ATOM 977 CD2 LEU A 64 -12.321 -8.519 0.811 1.00 0.00 C ATOM 0 H LEU A 64 -8.917 -6.794 2.633 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.548 -8.721 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.575 -8.462 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.830 -7.308 2.503 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.364 -9.347 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.993 -11.180 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.894 -11.082 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.559 -10.466 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.602 -9.146 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.193 -8.352 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.949 -7.562 0.446 1.00 0.00 H new ATOM 989 N ARG A 65 -8.175 -9.967 1.825 1.00 0.00 N ATOM 990 CA ARG A 65 -7.626 -11.182 1.234 1.00 0.00 C ATOM 991 C ARG A 65 -6.302 -11.557 1.893 1.00 0.00 C ATOM 992 O ARG A 65 -5.992 -12.736 2.062 1.00 0.00 O ATOM 993 CB ARG A 65 -7.426 -10.996 -0.271 1.00 0.00 C ATOM 994 CG ARG A 65 -8.694 -11.195 -1.084 1.00 0.00 C ATOM 995 CD ARG A 65 -8.447 -12.082 -2.295 1.00 0.00 C ATOM 996 NE ARG A 65 -9.071 -13.394 -2.148 1.00 0.00 N ATOM 997 CZ ARG A 65 -8.813 -14.424 -2.947 1.00 0.00 C ATOM 998 NH1 ARG A 65 -7.948 -14.293 -3.944 1.00 0.00 N ATOM 999 NH2 ARG A 65 -9.421 -15.587 -2.750 1.00 0.00 N ATOM 0 H ARG A 65 -7.916 -9.108 1.340 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.336 -11.992 1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.040 -9.994 -0.456 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.668 -11.699 -0.618 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.464 -11.642 -0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.073 -10.227 -1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.837 -11.593 -3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.374 -12.205 -2.441 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.741 -13.527 -1.391 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.479 -13.400 -4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.751 -15.085 -4.556 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.087 -15.691 -1.985 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.222 -16.377 -3.364 1.00 0.00 H new ATOM 1013 N LEU A 66 -5.523 -10.545 2.261 1.00 0.00 N ATOM 1014 CA LEU A 66 -4.231 -10.768 2.901 1.00 0.00 C ATOM 1015 C LEU A 66 -4.327 -10.560 4.408 1.00 0.00 C ATOM 1016 O LEU A 66 -5.337 -10.892 5.029 1.00 0.00 O ATOM 1017 CB LEU A 66 -3.179 -9.827 2.310 1.00 0.00 C ATOM 1018 CG LEU A 66 -3.157 -9.716 0.786 1.00 0.00 C ATOM 1019 CD1 LEU A 66 -2.441 -8.446 0.353 1.00 0.00 C ATOM 1020 CD2 LEU A 66 -2.495 -10.940 0.172 1.00 0.00 C ATOM 0 H LEU A 66 -5.763 -9.563 2.127 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.933 -11.800 2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.338 -8.831 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.196 -10.158 2.644 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.186 -9.667 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.435 -8.384 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.959 -7.579 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.415 -8.463 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.488 -10.844 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.471 -11.020 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.051 -11.834 0.453 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.270 -10.006 4.993 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.235 -9.750 6.429 1.00 0.00 C ATOM 1034 C HIS A 67 -2.779 -10.992 7.190 1.00 0.00 C ATOM 1035 O HIS A 67 -1.937 -11.752 6.712 1.00 0.00 O ATOM 1036 CB HIS A 67 -4.615 -9.314 6.923 1.00 0.00 C ATOM 1037 CG HIS A 67 -4.565 -8.405 8.113 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -3.386 -7.929 8.646 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -5.556 -7.883 8.871 1.00 0.00 C ATOM 1040 CE1 HIS A 67 -3.654 -7.155 9.683 1.00 0.00 C ATOM 1041 NE2 HIS A 67 -4.965 -7.110 9.840 1.00 0.00 N ATOM 0 H HIS A 67 -2.425 -9.725 4.495 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.520 -8.948 6.614 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.139 -8.809 6.112 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.198 -10.200 7.177 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -6.616 -8.044 8.739 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.926 -6.646 10.297 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.458 -6.586 10.563 1.00 0.00 H new ATOM 1049 N LYS A 68 -3.338 -11.189 8.379 1.00 0.00 N ATOM 1050 CA LYS A 68 -2.989 -12.338 9.207 1.00 0.00 C ATOM 1051 C LYS A 68 -2.684 -13.558 8.345 1.00 0.00 C ATOM 1052 O LYS A 68 -1.844 -14.387 8.699 1.00 0.00 O ATOM 1053 CB LYS A 68 -4.130 -12.658 10.178 1.00 0.00 C ATOM 1054 CG LYS A 68 -4.554 -11.473 11.028 1.00 0.00 C ATOM 1055 CD LYS A 68 -6.050 -11.221 10.926 1.00 0.00 C ATOM 1056 CE LYS A 68 -6.851 -12.382 11.492 1.00 0.00 C ATOM 1057 NZ LYS A 68 -7.181 -13.391 10.448 1.00 0.00 N ATOM 0 H LYS A 68 -4.035 -10.568 8.791 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.095 -12.085 9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.990 -13.014 9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.821 -13.473 10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.285 -11.655 12.068 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.011 -10.583 10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.303 -10.307 11.463 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.323 -11.064 9.883 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.284 -12.859 12.291 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.772 -12.005 11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.113 -13.807 10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.201 -12.932 9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.460 -14.141 10.449 1.00 0.00 H new ATOM 1071 N THR A 69 -3.369 -13.662 7.211 1.00 0.00 N ATOM 1072 CA THR A 69 -3.170 -14.781 6.298 1.00 0.00 C ATOM 1073 C THR A 69 -1.703 -15.190 6.241 1.00 0.00 C ATOM 1074 O THR A 69 -0.836 -14.378 5.922 1.00 0.00 O ATOM 1075 CB THR A 69 -3.651 -14.438 4.875 1.00 0.00 C ATOM 1076 OG1 THR A 69 -2.864 -13.371 4.336 1.00 0.00 O ATOM 1077 CG2 THR A 69 -5.119 -14.038 4.883 1.00 0.00 C ATOM 0 H THR A 69 -4.067 -12.985 6.903 1.00 0.00 H new ATOM 0 HA THR A 69 -3.761 -15.612 6.683 1.00 0.00 H new ATOM 0 HB THR A 69 -3.535 -15.325 4.252 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.013 -13.316 4.818 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.437 -13.800 3.868 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.719 -14.863 5.267 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.254 -13.164 5.520 1.00 0.00 H new ATOM 1085 N GLU A 70 -1.433 -16.454 6.553 1.00 0.00 N ATOM 1086 CA GLU A 70 -0.069 -16.969 6.536 1.00 0.00 C ATOM 1087 C GLU A 70 0.553 -16.818 5.151 1.00 0.00 C ATOM 1088 O GLU A 70 0.307 -17.627 4.255 1.00 0.00 O ATOM 1089 CB GLU A 70 -0.051 -18.440 6.957 1.00 0.00 C ATOM 1090 CG GLU A 70 0.248 -18.647 8.433 1.00 0.00 C ATOM 1091 CD GLU A 70 -0.562 -19.777 9.039 1.00 0.00 C ATOM 1092 OE1 GLU A 70 -0.931 -20.709 8.293 1.00 0.00 O ATOM 1093 OE2 GLU A 70 -0.827 -19.729 10.258 1.00 0.00 O ATOM 0 H GLU A 70 -2.140 -17.139 6.820 1.00 0.00 H new ATOM 0 HA GLU A 70 0.520 -16.388 7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.017 -18.888 6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.696 -18.969 6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.310 -18.858 8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.040 -17.724 8.975 1.00 0.00 H new ATOM 1100 N PHE A 71 1.360 -15.776 4.982 1.00 0.00 N ATOM 1101 CA PHE A 71 2.017 -15.517 3.706 1.00 0.00 C ATOM 1102 C PHE A 71 3.198 -16.461 3.500 1.00 0.00 C ATOM 1103 O PHE A 71 3.065 -17.512 2.873 1.00 0.00 O ATOM 1104 CB PHE A 71 2.493 -14.064 3.640 1.00 0.00 C ATOM 1105 CG PHE A 71 3.683 -13.863 2.745 1.00 0.00 C ATOM 1106 CD1 PHE A 71 3.672 -14.329 1.440 1.00 0.00 C ATOM 1107 CD2 PHE A 71 4.813 -13.209 3.210 1.00 0.00 C ATOM 1108 CE1 PHE A 71 4.767 -14.147 0.616 1.00 0.00 C ATOM 1109 CE2 PHE A 71 5.910 -13.023 2.390 1.00 0.00 C ATOM 1110 CZ PHE A 71 5.886 -13.492 1.091 1.00 0.00 C ATOM 0 H PHE A 71 1.575 -15.097 5.712 1.00 0.00 H new ATOM 0 HA PHE A 71 1.293 -15.692 2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.674 -13.437 3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.743 -13.726 4.646 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.799 -14.840 1.063 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.837 -12.840 4.225 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.747 -14.517 -0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.785 -12.512 2.764 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.741 -13.347 0.448 1.00 0.00 H new ATOM 1120 N LEU A 72 4.353 -16.077 4.032 1.00 0.00 N ATOM 1121 CA LEU A 72 5.559 -16.888 3.908 1.00 0.00 C ATOM 1122 C LEU A 72 5.736 -17.792 5.124 1.00 0.00 C ATOM 1123 O LEU A 72 6.845 -17.961 5.629 1.00 0.00 O ATOM 1124 CB LEU A 72 6.787 -15.990 3.743 1.00 0.00 C ATOM 1125 CG LEU A 72 7.721 -16.336 2.582 1.00 0.00 C ATOM 1126 CD1 LEU A 72 8.388 -17.683 2.816 1.00 0.00 C ATOM 1127 CD2 LEU A 72 6.957 -16.339 1.266 1.00 0.00 C ATOM 0 H LEU A 72 4.480 -15.209 4.553 1.00 0.00 H new ATOM 0 HA LEU A 72 5.454 -17.516 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.446 -14.963 3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.363 -16.022 4.668 1.00 0.00 H new ATOM 0 HG LEU A 72 8.498 -15.574 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.049 -17.912 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.969 -17.646 3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.625 -18.457 2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.637 -16.587 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.159 -17.080 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.527 -15.352 1.092 1.00 0.00 H new ATOM 1139 N GLY A 73 4.635 -18.373 5.588 1.00 0.00 N ATOM 1140 CA GLY A 73 4.689 -19.255 6.740 1.00 0.00 C ATOM 1141 C GLY A 73 4.431 -18.523 8.042 1.00 0.00 C ATOM 1142 O GLY A 73 4.068 -19.136 9.045 1.00 0.00 O ATOM 0 H GLY A 73 3.705 -18.249 5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.952 -20.049 6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.668 -19.732 6.783 1.00 0.00 H new ATOM 1146 N LYS A 74 4.622 -17.208 8.028 1.00 0.00 N ATOM 1147 CA LYS A 74 4.409 -16.391 9.217 1.00 0.00 C ATOM 1148 C LYS A 74 3.215 -15.460 9.030 1.00 0.00 C ATOM 1149 O LYS A 74 2.866 -15.104 7.905 1.00 0.00 O ATOM 1150 CB LYS A 74 5.664 -15.573 9.530 1.00 0.00 C ATOM 1151 CG LYS A 74 6.645 -16.289 10.441 1.00 0.00 C ATOM 1152 CD LYS A 74 6.883 -15.513 11.725 1.00 0.00 C ATOM 1153 CE LYS A 74 8.301 -15.711 12.241 1.00 0.00 C ATOM 1154 NZ LYS A 74 9.318 -15.193 11.284 1.00 0.00 N ATOM 0 H LYS A 74 4.924 -16.685 7.206 1.00 0.00 H new ATOM 0 HA LYS A 74 4.200 -17.058 10.054 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.166 -15.321 8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.368 -14.633 9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.263 -17.281 10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.592 -16.429 9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.703 -14.452 11.549 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.170 -15.835 12.484 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.413 -15.204 13.199 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.478 -16.772 12.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.182 -14.935 11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.541 -15.928 10.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.942 -14.354 10.798 1.00 0.00 H new ATOM 1168 N GLU A 75 2.596 -15.069 10.139 1.00 0.00 N ATOM 1169 CA GLU A 75 1.442 -14.178 10.095 1.00 0.00 C ATOM 1170 C GLU A 75 1.863 -12.760 9.723 1.00 0.00 C ATOM 1171 O GLU A 75 2.651 -12.131 10.428 1.00 0.00 O ATOM 1172 CB GLU A 75 0.724 -14.171 11.446 1.00 0.00 C ATOM 1173 CG GLU A 75 -0.382 -13.133 11.543 1.00 0.00 C ATOM 1174 CD GLU A 75 -0.879 -12.941 12.963 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -0.226 -12.197 13.724 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -1.922 -13.534 13.311 1.00 0.00 O ATOM 0 H GLU A 75 2.874 -15.355 11.078 1.00 0.00 H new ATOM 0 HA GLU A 75 0.759 -14.548 9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.300 -15.159 11.628 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.454 -13.987 12.235 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.016 -12.181 11.158 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.215 -13.435 10.908 1.00 0.00 H new ATOM 1183 N MET A 76 1.332 -12.265 8.610 1.00 0.00 N ATOM 1184 CA MET A 76 1.652 -10.920 8.144 1.00 0.00 C ATOM 1185 C MET A 76 0.574 -9.927 8.567 1.00 0.00 C ATOM 1186 O MET A 76 -0.602 -10.277 8.667 1.00 0.00 O ATOM 1187 CB MET A 76 1.804 -10.908 6.621 1.00 0.00 C ATOM 1188 CG MET A 76 1.513 -9.555 5.992 1.00 0.00 C ATOM 1189 SD MET A 76 2.114 -9.434 4.298 1.00 0.00 S ATOM 1190 CE MET A 76 0.710 -10.079 3.392 1.00 0.00 C ATOM 0 H MET A 76 0.679 -12.774 8.014 1.00 0.00 H new ATOM 0 HA MET A 76 2.596 -10.620 8.599 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.819 -11.209 6.363 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.133 -11.651 6.191 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.438 -9.376 6.006 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.974 -8.772 6.594 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.930 -10.068 2.324 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.510 -11.102 3.711 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.165 -9.460 3.589 1.00 0.00 H new ATOM 1200 N LYS A 77 0.983 -8.687 8.814 1.00 0.00 N ATOM 1201 CA LYS A 77 0.053 -7.642 9.225 1.00 0.00 C ATOM 1202 C LYS A 77 -0.079 -6.575 8.144 1.00 0.00 C ATOM 1203 O LYS A 77 0.787 -6.442 7.278 1.00 0.00 O ATOM 1204 CB LYS A 77 0.519 -7.002 10.534 1.00 0.00 C ATOM 1205 CG LYS A 77 -0.359 -7.344 11.725 1.00 0.00 C ATOM 1206 CD LYS A 77 0.302 -6.952 13.037 1.00 0.00 C ATOM 1207 CE LYS A 77 0.931 -8.155 13.724 1.00 0.00 C ATOM 1208 NZ LYS A 77 2.258 -7.824 14.314 1.00 0.00 N ATOM 0 H LYS A 77 1.953 -8.381 8.737 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.924 -8.100 9.379 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.540 -7.323 10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.544 -5.919 10.411 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.316 -6.831 11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.569 -8.414 11.728 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.066 -6.198 12.850 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.438 -6.500 13.698 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.265 -8.516 14.508 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.045 -8.966 13.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.654 -8.669 14.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.902 -7.504 13.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.146 -7.068 15.019 1.00 0.00 H new ATOM 1222 N LEU A 78 -1.166 -5.814 8.199 1.00 0.00 N ATOM 1223 CA LEU A 78 -1.411 -4.756 7.224 1.00 0.00 C ATOM 1224 C LEU A 78 -2.195 -3.608 7.853 1.00 0.00 C ATOM 1225 O LEU A 78 -3.242 -3.820 8.466 1.00 0.00 O ATOM 1226 CB LEU A 78 -2.173 -5.311 6.020 1.00 0.00 C ATOM 1227 CG LEU A 78 -1.318 -5.856 4.877 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -2.045 -6.977 4.153 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -0.951 -4.742 3.907 1.00 0.00 C ATOM 0 H LEU A 78 -1.893 -5.909 8.909 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.447 -4.373 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.830 -6.108 6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.812 -4.521 5.624 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.398 -6.261 5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.420 -7.352 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.256 -7.786 4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.982 -6.598 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.342 -5.149 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.860 -4.307 3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.388 -3.972 4.434 1.00 0.00 H new ATOM 1241 N TYR A 79 -1.684 -2.393 7.693 1.00 0.00 N ATOM 1242 CA TYR A 79 -2.336 -1.211 8.244 1.00 0.00 C ATOM 1243 C TYR A 79 -2.647 -0.198 7.147 1.00 0.00 C ATOM 1244 O TYR A 79 -2.239 -0.366 5.998 1.00 0.00 O ATOM 1245 CB TYR A 79 -1.451 -0.566 9.313 1.00 0.00 C ATOM 1246 CG TYR A 79 -1.153 -1.476 10.482 1.00 0.00 C ATOM 1247 CD1 TYR A 79 -0.141 -2.425 10.410 1.00 0.00 C ATOM 1248 CD2 TYR A 79 -1.883 -1.386 11.661 1.00 0.00 C ATOM 1249 CE1 TYR A 79 0.134 -3.259 11.477 1.00 0.00 C ATOM 1250 CE2 TYR A 79 -1.615 -2.216 12.734 1.00 0.00 C ATOM 1251 CZ TYR A 79 -0.605 -3.150 12.636 1.00 0.00 C ATOM 1252 OH TYR A 79 -0.333 -3.978 13.701 1.00 0.00 O ATOM 0 H TYR A 79 -0.820 -2.200 7.186 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.275 -1.525 8.700 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.511 -0.256 8.856 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.939 0.336 9.681 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.441 -2.512 9.504 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.674 -0.655 11.741 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.924 -3.992 11.403 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.193 -2.133 13.643 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.943 -3.772 14.440 1.00 0.00 H new ATOM 1262 N PHE A 80 -3.373 0.854 7.511 1.00 0.00 N ATOM 1263 CA PHE A 80 -3.740 1.895 6.557 1.00 0.00 C ATOM 1264 C PHE A 80 -2.828 3.110 6.701 1.00 0.00 C ATOM 1265 O PHE A 80 -2.898 3.838 7.691 1.00 0.00 O ATOM 1266 CB PHE A 80 -5.198 2.311 6.761 1.00 0.00 C ATOM 1267 CG PHE A 80 -6.121 1.804 5.689 1.00 0.00 C ATOM 1268 CD1 PHE A 80 -5.916 2.145 4.362 1.00 0.00 C ATOM 1269 CD2 PHE A 80 -7.194 0.989 6.011 1.00 0.00 C ATOM 1270 CE1 PHE A 80 -6.763 1.680 3.374 1.00 0.00 C ATOM 1271 CE2 PHE A 80 -8.044 0.521 5.026 1.00 0.00 C ATOM 1272 CZ PHE A 80 -7.829 0.867 3.707 1.00 0.00 C ATOM 0 H PHE A 80 -3.719 1.008 8.458 1.00 0.00 H new ATOM 0 HA PHE A 80 -3.622 1.491 5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.541 1.943 7.728 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.256 3.399 6.795 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.085 2.781 4.097 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.368 0.717 7.041 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -6.592 1.952 2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -8.876 -0.115 5.289 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.493 0.503 2.937 1.00 0.00 H new