USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.58! C(o=-3.6!,f=-6.2!) USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 0.318 (180deg=-0.147!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 120:sc= -2.95! USER MOD Single : A 40 SER OG : rot 42:sc= 0.0435 USER MOD Single : A 42 THR OG1 : rot 137:sc= 0.0364 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-8.4!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 171:sc= -11! (180deg=-11.4!) USER MOD Single : A 55 THR OG1 : rot -21:sc= -2.21! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -3.34! C(o=-3.3!,f=-4.5!) USER MOD Single : A 67 THR OG1 : rot 81:sc= 0.264 USER MOD Single : A 73 ASN : amide:sc= -3.65! C(o=-3.7!,f=-5!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASP A 7 -1.398 -10.573 -0.293 1.00 16.66 N ATOM 86 CA ASP A 7 -1.998 -11.934 -0.383 1.00 16.66 C ATOM 87 C ASP A 7 -2.996 -12.125 0.760 1.00 16.66 C ATOM 88 O ASP A 7 -4.100 -12.593 0.563 1.00 16.66 O ATOM 89 CB ASP A 7 -0.895 -12.987 -0.278 1.00 16.66 C ATOM 90 CG ASP A 7 -0.114 -13.043 -1.593 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.518 -12.370 -2.528 1.00 50.00 O ATOM 92 OD2 ASP A 7 0.873 -13.758 -1.644 1.00 50.00 O ATOM 0 HA ASP A 7 -2.512 -12.043 -1.338 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.224 -12.744 0.546 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.329 -13.963 -0.059 1.00 16.66 H new ATOM 97 N LYS A 8 -2.615 -11.764 1.951 1.00 16.66 N ATOM 98 CA LYS A 8 -3.538 -11.919 3.110 1.00 16.66 C ATOM 99 C LYS A 8 -4.894 -11.309 2.765 1.00 16.66 C ATOM 100 O LYS A 8 -5.931 -11.816 3.144 1.00 16.66 O ATOM 101 CB LYS A 8 -2.952 -11.202 4.326 1.00 16.66 C ATOM 102 CG LYS A 8 -2.108 -12.187 5.136 1.00 16.66 C ATOM 103 CD LYS A 8 -2.164 -11.810 6.618 1.00 16.66 C ATOM 104 CE LYS A 8 -1.077 -12.573 7.378 1.00 50.00 C ATOM 105 NZ LYS A 8 0.194 -11.794 7.344 1.00 50.00 N ATOM 0 H LYS A 8 -1.702 -11.367 2.174 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.663 -12.978 3.337 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.340 -10.359 4.005 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.753 -10.797 4.945 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.479 -13.202 4.994 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -1.076 -12.172 4.785 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -2.021 -10.736 6.737 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -3.145 -12.048 7.028 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -1.387 -12.738 8.410 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.926 -13.555 6.930 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 0.933 -12.313 7.861 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.492 -11.659 6.357 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 0.045 -10.867 7.791 1.00 50.00 H new ATOM 119 N ALA A 9 -4.894 -10.225 2.042 1.00 16.66 N ATOM 120 CA ALA A 9 -6.184 -9.586 1.667 1.00 16.66 C ATOM 121 C ALA A 9 -7.039 -10.611 0.933 1.00 16.66 C ATOM 122 O ALA A 9 -8.214 -10.768 1.200 1.00 16.66 O ATOM 123 CB ALA A 9 -5.918 -8.387 0.755 1.00 16.66 C ATOM 0 H ALA A 9 -4.058 -9.755 1.695 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.703 -9.241 2.561 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.865 -7.921 0.482 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.295 -7.663 1.279 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.405 -8.722 -0.146 1.00 16.66 H new ATOM 129 N GLU A 10 -6.452 -11.318 0.013 1.00 16.66 N ATOM 130 CA GLU A 10 -7.219 -12.347 -0.741 1.00 16.66 C ATOM 131 C GLU A 10 -7.609 -13.477 0.212 1.00 16.66 C ATOM 132 O GLU A 10 -8.693 -14.019 0.141 1.00 16.66 O ATOM 133 CB GLU A 10 -6.355 -12.905 -1.873 1.00 16.66 C ATOM 134 CG GLU A 10 -5.763 -11.749 -2.680 1.00 16.66 C ATOM 135 CD GLU A 10 -5.183 -12.287 -3.991 1.00 16.66 C ATOM 136 OE1 GLU A 10 -4.968 -13.485 -4.073 1.00 16.66 O ATOM 137 OE2 GLU A 10 -4.962 -11.491 -4.889 1.00 16.66 O ATOM 0 H GLU A 10 -5.471 -11.229 -0.251 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.117 -11.898 -1.165 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.556 -13.524 -1.464 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -6.954 -13.545 -2.520 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.532 -11.005 -2.888 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -4.985 -11.250 -2.103 1.00 16.66 H new ATOM 144 N ARG A 11 -6.730 -13.831 1.107 1.00 16.66 N ATOM 145 CA ARG A 11 -7.044 -14.923 2.072 1.00 16.66 C ATOM 146 C ARG A 11 -8.155 -14.464 3.015 1.00 16.66 C ATOM 147 O ARG A 11 -9.053 -15.212 3.349 1.00 16.66 O ATOM 148 CB ARG A 11 -5.798 -15.250 2.896 1.00 16.66 C ATOM 149 CG ARG A 11 -4.776 -15.979 2.024 1.00 16.66 C ATOM 150 CD ARG A 11 -3.645 -16.506 2.909 1.00 50.00 C ATOM 151 NE ARG A 11 -2.508 -16.949 2.056 1.00 50.00 N ATOM 152 CZ ARG A 11 -2.305 -18.221 1.854 1.00 50.00 C ATOM 153 NH1 ARG A 11 -2.329 -19.052 2.860 1.00 50.00 N ATOM 154 NH2 ARG A 11 -2.076 -18.663 0.648 1.00 50.00 N ATOM 0 H ARG A 11 -5.806 -13.411 1.213 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.366 -15.808 1.523 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.363 -14.333 3.293 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -6.069 -15.870 3.751 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.254 -16.803 1.495 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.377 -15.303 1.268 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.315 -15.727 3.597 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -4.002 -17.337 3.517 1.00 50.00 H new ATOM 0 HE ARG A 11 -1.889 -16.259 1.631 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -2.506 -18.706 3.803 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -2.170 -20.047 2.703 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -2.056 -18.013 -0.138 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -1.917 -19.658 0.491 1.00 50.00 H new ATOM 168 N GLU A 12 -8.097 -13.237 3.447 1.00 16.66 N ATOM 169 CA GLU A 12 -9.140 -12.719 4.373 1.00 16.66 C ATOM 170 C GLU A 12 -10.486 -12.678 3.653 1.00 16.66 C ATOM 171 O GLU A 12 -11.510 -13.024 4.208 1.00 16.66 O ATOM 172 CB GLU A 12 -8.761 -11.310 4.827 1.00 16.66 C ATOM 173 CG GLU A 12 -7.889 -11.394 6.082 1.00 16.66 C ATOM 174 CD GLU A 12 -7.661 -9.988 6.639 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.326 -9.075 6.180 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.825 -9.849 7.518 1.00 50.00 O ATOM 0 H GLU A 12 -7.369 -12.568 3.198 1.00 16.66 H new ATOM 0 HA GLU A 12 -9.214 -13.374 5.241 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -8.224 -10.793 4.032 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.660 -10.729 5.034 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -8.372 -12.020 6.832 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.934 -11.862 5.844 1.00 16.66 H new ATOM 183 N ARG A 13 -10.495 -12.257 2.421 1.00 16.66 N ATOM 184 CA ARG A 13 -11.777 -12.196 1.668 1.00 16.66 C ATOM 185 C ARG A 13 -12.289 -13.614 1.429 1.00 16.66 C ATOM 186 O ARG A 13 -13.467 -13.889 1.545 1.00 16.66 O ATOM 187 CB ARG A 13 -11.550 -11.499 0.325 1.00 16.66 C ATOM 188 CG ARG A 13 -11.011 -10.088 0.567 1.00 16.66 C ATOM 189 CD ARG A 13 -10.465 -9.518 -0.743 1.00 16.66 C ATOM 190 NE ARG A 13 -11.598 -9.055 -1.593 1.00 50.00 N ATOM 191 CZ ARG A 13 -12.017 -7.822 -1.508 1.00 50.00 C ATOM 192 NH1 ARG A 13 -13.230 -7.571 -1.099 1.00 50.00 N ATOM 193 NH2 ARG A 13 -11.221 -6.840 -1.831 1.00 50.00 N ATOM 0 H ARG A 13 -9.671 -11.953 1.903 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.513 -11.635 2.244 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.845 -12.070 -0.279 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.484 -11.452 -0.235 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.803 -9.446 0.953 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.224 -10.112 1.321 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.788 -8.689 -0.537 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -9.888 -10.278 -1.270 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.046 -9.702 -2.242 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -13.852 -8.339 -0.845 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -13.557 -6.607 -1.033 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -10.272 -7.036 -2.150 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -11.548 -5.876 -1.765 1.00 50.00 H new ATOM 207 N ILE A 14 -11.412 -14.520 1.108 1.00 16.66 N ATOM 208 CA ILE A 14 -11.845 -15.922 0.871 1.00 16.66 C ATOM 209 C ILE A 14 -12.255 -16.552 2.202 1.00 16.66 C ATOM 210 O ILE A 14 -13.270 -17.215 2.302 1.00 16.66 O ATOM 211 CB ILE A 14 -10.688 -16.714 0.261 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.231 -16.035 -1.030 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.153 -18.138 -0.046 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.810 -16.488 -1.369 1.00 50.00 C ATOM 0 H ILE A 14 -10.412 -14.350 0.999 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.692 -15.936 0.185 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.857 -16.748 0.966 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -10.909 -16.287 -1.846 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.261 -14.952 -0.914 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.329 -18.704 -0.481 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.479 -18.621 0.875 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -11.983 -18.105 -0.752 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.484 -16.004 -2.290 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.137 -16.214 -0.557 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.795 -17.570 -1.503 1.00 50.00 H new ATOM 226 N PHE A 15 -11.477 -16.347 3.230 1.00 16.66 N ATOM 227 CA PHE A 15 -11.831 -16.933 4.551 1.00 16.66 C ATOM 228 C PHE A 15 -13.084 -16.244 5.089 1.00 16.66 C ATOM 229 O PHE A 15 -13.919 -16.858 5.721 1.00 16.66 O ATOM 230 CB PHE A 15 -10.676 -16.738 5.534 1.00 16.66 C ATOM 231 CG PHE A 15 -11.029 -17.410 6.841 1.00 16.66 C ATOM 232 CD1 PHE A 15 -11.786 -16.728 7.801 1.00 16.66 C ATOM 233 CD2 PHE A 15 -10.610 -18.724 7.085 1.00 16.66 C ATOM 234 CE1 PHE A 15 -12.120 -17.360 9.008 1.00 16.66 C ATOM 235 CE2 PHE A 15 -10.946 -19.356 8.288 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.701 -18.674 9.250 1.00 16.66 C ATOM 0 H PHE A 15 -10.615 -15.801 3.211 1.00 16.66 H new ATOM 0 HA PHE A 15 -12.021 -18.000 4.433 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.758 -17.163 5.127 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.492 -15.676 5.694 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -12.113 -15.716 7.612 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -10.027 -19.250 6.344 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -12.700 -16.833 9.751 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -10.623 -20.370 8.474 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.960 -19.161 10.178 1.00 16.66 H new ATOM 246 N LYS A 16 -13.223 -14.973 4.837 1.00 16.66 N ATOM 247 CA LYS A 16 -14.425 -14.246 5.330 1.00 16.66 C ATOM 248 C LYS A 16 -15.672 -14.815 4.652 1.00 16.66 C ATOM 249 O LYS A 16 -16.742 -14.851 5.228 1.00 16.66 O ATOM 250 CB LYS A 16 -14.295 -12.757 5.000 1.00 50.00 C ATOM 251 CG LYS A 16 -13.423 -12.075 6.055 1.00 50.00 C ATOM 252 CD LYS A 16 -13.349 -10.575 5.765 1.00 50.00 C ATOM 253 CE LYS A 16 -12.361 -9.918 6.730 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.775 -8.508 6.981 1.00 50.00 N ATOM 0 H LYS A 16 -12.557 -14.407 4.312 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.509 -14.369 6.410 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.854 -12.630 4.011 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.281 -12.292 4.972 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.837 -12.244 7.049 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.422 -12.507 6.049 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -13.034 -10.408 4.735 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.335 -10.123 5.874 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -12.330 -10.472 7.668 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.355 -9.944 6.311 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -12.104 -8.061 7.637 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -12.783 -7.983 6.083 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -13.728 -8.495 7.398 1.00 50.00 H new ATOM 268 N ARG A 17 -15.542 -15.270 3.437 1.00 16.66 N ATOM 269 CA ARG A 17 -16.717 -15.846 2.729 1.00 16.66 C ATOM 270 C ARG A 17 -17.056 -17.204 3.342 1.00 16.66 C ATOM 271 O ARG A 17 -18.207 -17.580 3.450 1.00 16.66 O ATOM 272 CB ARG A 17 -16.384 -16.025 1.247 1.00 16.66 C ATOM 273 CG ARG A 17 -16.324 -14.656 0.569 1.00 16.66 C ATOM 274 CD ARG A 17 -16.279 -14.842 -0.949 1.00 50.00 C ATOM 275 NE ARG A 17 -15.898 -13.554 -1.595 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.943 -13.527 -2.485 1.00 50.00 C ATOM 277 NH1 ARG A 17 -13.828 -14.168 -2.263 1.00 50.00 N ATOM 278 NH2 ARG A 17 -15.102 -12.860 -3.594 1.00 50.00 N ATOM 0 H ARG A 17 -14.672 -15.267 2.904 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.570 -15.174 2.829 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.429 -16.539 1.137 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -17.138 -16.648 0.766 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -17.194 -14.061 0.848 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.443 -14.109 0.906 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.560 -15.619 -1.210 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.251 -15.171 -1.315 1.00 50.00 H new ATOM 0 HE ARG A 17 -16.383 -12.693 -1.342 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -13.703 -14.689 -1.395 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -13.081 -14.148 -2.957 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -15.973 -12.359 -3.767 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -14.355 -12.840 -4.288 1.00 50.00 H new ATOM 292 N PHE A 18 -16.060 -17.943 3.746 1.00 16.66 N ATOM 293 CA PHE A 18 -16.322 -19.279 4.353 1.00 16.66 C ATOM 294 C PHE A 18 -16.998 -19.099 5.713 1.00 16.66 C ATOM 295 O PHE A 18 -17.963 -19.766 6.028 1.00 16.66 O ATOM 296 CB PHE A 18 -15.001 -20.028 4.530 1.00 16.66 C ATOM 297 CG PHE A 18 -14.587 -20.634 3.210 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.301 -21.717 2.684 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.491 -20.112 2.513 1.00 16.66 C ATOM 300 CE1 PHE A 18 -14.919 -22.278 1.459 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.108 -20.675 1.289 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.823 -21.758 0.762 1.00 16.66 C ATOM 0 H PHE A 18 -15.077 -17.680 3.682 1.00 16.66 H new ATOM 0 HA PHE A 18 -16.977 -19.853 3.698 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.229 -19.347 4.888 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.111 -20.809 5.283 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.146 -22.120 3.223 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -12.941 -19.276 2.919 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.471 -23.113 1.052 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.261 -20.274 0.752 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.528 -22.192 -0.182 1.00 16.66 H new ATOM 312 N ASP A 19 -16.505 -18.202 6.517 1.00 16.66 N ATOM 313 CA ASP A 19 -17.130 -17.982 7.852 1.00 16.66 C ATOM 314 C ASP A 19 -18.553 -17.451 7.649 1.00 16.66 C ATOM 315 O ASP A 19 -18.754 -16.301 7.312 1.00 16.66 O ATOM 316 CB ASP A 19 -16.302 -16.970 8.650 1.00 16.66 C ATOM 317 CG ASP A 19 -16.583 -17.158 10.135 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.319 -18.069 10.457 1.00 16.66 O ATOM 319 OD2 ASP A 19 -16.052 -16.392 10.924 1.00 16.66 O ATOM 0 H ASP A 19 -15.699 -17.612 6.310 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.164 -18.920 8.406 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.240 -17.110 8.447 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.554 -15.954 8.345 1.00 16.66 H new ATOM 324 N ALA A 20 -19.542 -18.288 7.828 1.00 16.66 N ATOM 325 CA ALA A 20 -20.953 -17.847 7.618 1.00 16.66 C ATOM 326 C ALA A 20 -21.371 -16.807 8.665 1.00 16.66 C ATOM 327 O ALA A 20 -21.867 -15.751 8.327 1.00 16.66 O ATOM 328 CB ALA A 20 -21.879 -19.060 7.720 1.00 50.00 C ATOM 0 H ALA A 20 -19.432 -19.262 8.112 1.00 16.66 H new ATOM 0 HA ALA A 20 -21.027 -17.392 6.630 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.911 -18.744 7.567 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.607 -19.791 6.958 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.780 -19.511 8.707 1.00 50.00 H new ATOM 334 N ASN A 21 -21.190 -17.086 9.929 1.00 16.66 N ATOM 335 CA ASN A 21 -21.602 -16.089 10.959 1.00 16.66 C ATOM 336 C ASN A 21 -20.472 -15.081 11.177 1.00 16.66 C ATOM 337 O ASN A 21 -20.701 -13.949 11.556 1.00 16.66 O ATOM 338 CB ASN A 21 -21.961 -16.801 12.271 1.00 16.66 C ATOM 339 CG ASN A 21 -20.717 -17.400 12.931 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.788 -17.796 12.256 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.692 -17.481 14.232 1.00 16.66 N ATOM 0 H ASN A 21 -20.781 -17.948 10.289 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.486 -15.553 10.612 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.434 -16.095 12.954 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.687 -17.590 12.074 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.881 -17.883 14.702 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.483 -17.142 14.779 1.00 16.66 H new ATOM 348 N GLY A 22 -19.257 -15.474 10.919 1.00 16.66 N ATOM 349 CA GLY A 22 -18.118 -14.528 11.087 1.00 16.66 C ATOM 350 C GLY A 22 -17.605 -14.558 12.528 1.00 16.66 C ATOM 351 O GLY A 22 -17.307 -13.533 13.109 1.00 16.66 O ATOM 0 H GLY A 22 -19.002 -16.409 10.599 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.313 -14.794 10.402 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.435 -13.518 10.829 1.00 16.66 H new ATOM 355 N ASP A 23 -17.481 -15.719 13.106 1.00 16.66 N ATOM 356 CA ASP A 23 -16.966 -15.792 14.504 1.00 16.66 C ATOM 357 C ASP A 23 -15.478 -16.158 14.478 1.00 16.66 C ATOM 358 O ASP A 23 -14.861 -16.364 15.505 1.00 16.66 O ATOM 359 CB ASP A 23 -17.753 -16.830 15.313 1.00 16.66 C ATOM 360 CG ASP A 23 -17.628 -18.213 14.671 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.197 -18.284 13.536 1.00 16.66 O ATOM 362 OD2 ASP A 23 -17.976 -19.180 15.329 1.00 16.66 O ATOM 0 H ASP A 23 -17.711 -16.615 12.677 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.092 -14.821 14.982 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.379 -16.862 16.336 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.802 -16.540 15.366 1.00 16.66 H new ATOM 367 N GLY A 24 -14.893 -16.221 13.309 1.00 16.66 N ATOM 368 CA GLY A 24 -13.440 -16.549 13.215 1.00 16.66 C ATOM 369 C GLY A 24 -13.243 -18.051 12.996 1.00 16.66 C ATOM 370 O GLY A 24 -12.152 -18.501 12.706 1.00 16.66 O ATOM 0 H GLY A 24 -15.359 -16.059 12.416 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -12.988 -15.993 12.393 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -12.931 -16.239 14.128 1.00 16.66 H new ATOM 374 N LYS A 25 -14.275 -18.835 13.138 1.00 16.66 N ATOM 375 CA LYS A 25 -14.119 -20.304 12.943 1.00 16.66 C ATOM 376 C LYS A 25 -15.146 -20.806 11.927 1.00 16.66 C ATOM 377 O LYS A 25 -16.291 -20.388 11.918 1.00 16.66 O ATOM 378 CB LYS A 25 -14.323 -21.026 14.281 1.00 50.00 C ATOM 379 CG LYS A 25 -15.810 -21.048 14.636 1.00 50.00 C ATOM 380 CD LYS A 25 -16.025 -21.943 15.856 1.00 50.00 C ATOM 381 CE LYS A 25 -17.525 -22.141 16.081 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.182 -22.473 14.785 1.00 50.00 N ATOM 0 H LYS A 25 -15.216 -18.524 13.380 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.116 -20.510 12.569 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -13.940 -22.044 14.217 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.760 -20.522 15.066 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -16.161 -20.037 14.846 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.392 -21.418 13.792 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.538 -22.906 15.705 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.570 -21.491 16.737 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -17.693 -22.941 16.802 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.963 -21.236 16.502 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -19.140 -22.837 14.964 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -18.241 -21.617 14.197 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.624 -23.197 14.288 1.00 50.00 H new ATOM 396 N ILE A 26 -14.742 -21.710 11.077 1.00 16.66 N ATOM 397 CA ILE A 26 -15.683 -22.257 10.063 1.00 16.66 C ATOM 398 C ILE A 26 -15.937 -23.735 10.351 1.00 16.66 C ATOM 399 O ILE A 26 -15.025 -24.498 10.605 1.00 16.66 O ATOM 400 CB ILE A 26 -15.075 -22.105 8.669 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.301 -20.790 8.592 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.191 -22.101 7.623 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.773 -20.600 7.171 1.00 16.66 C ATOM 0 H ILE A 26 -13.797 -22.094 11.042 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.625 -21.711 10.109 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.398 -22.937 8.475 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -14.948 -19.957 8.867 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.474 -20.799 9.302 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.757 -21.993 6.629 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.744 -23.039 7.677 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.868 -21.269 7.816 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.220 -19.663 7.111 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.113 -21.428 6.914 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.609 -20.573 6.473 1.00 16.66 H new ATOM 415 N SER A 27 -17.172 -24.143 10.311 1.00 16.66 N ATOM 416 CA SER A 27 -17.502 -25.568 10.578 1.00 16.66 C ATOM 417 C SER A 27 -17.896 -26.242 9.265 1.00 16.66 C ATOM 418 O SER A 27 -18.073 -25.593 8.254 1.00 16.66 O ATOM 419 CB SER A 27 -18.673 -25.648 11.559 1.00 50.00 C ATOM 420 OG SER A 27 -19.888 -25.395 10.868 1.00 50.00 O ATOM 0 H SER A 27 -17.973 -23.546 10.103 1.00 16.66 H new ATOM 0 HA SER A 27 -16.636 -26.071 11.008 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.705 -26.633 12.024 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.540 -24.921 12.361 1.00 50.00 H new ATOM 0 HG SER A 27 -20.639 -25.448 11.496 1.00 50.00 H new ATOM 426 N ALA A 28 -18.037 -27.537 9.267 1.00 16.66 N ATOM 427 CA ALA A 28 -18.422 -28.233 8.012 1.00 16.66 C ATOM 428 C ALA A 28 -19.655 -27.554 7.425 1.00 16.66 C ATOM 429 O ALA A 28 -19.712 -27.252 6.250 1.00 16.66 O ATOM 430 CB ALA A 28 -18.734 -29.701 8.311 1.00 50.00 C ATOM 0 H ALA A 28 -17.903 -28.140 10.079 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.600 -28.183 7.297 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -19.016 -30.208 7.388 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.852 -30.182 8.734 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.557 -29.760 9.024 1.00 50.00 H new ATOM 436 N ALA A 29 -20.645 -27.312 8.235 1.00 16.66 N ATOM 437 CA ALA A 29 -21.876 -26.651 7.725 1.00 16.66 C ATOM 438 C ALA A 29 -21.507 -25.320 7.074 1.00 16.66 C ATOM 439 O ALA A 29 -22.061 -24.939 6.061 1.00 16.66 O ATOM 440 CB ALA A 29 -22.845 -26.404 8.882 1.00 50.00 C ATOM 0 H ALA A 29 -20.655 -27.543 9.228 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.353 -27.296 6.987 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.746 -25.920 8.505 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.110 -27.355 9.344 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.370 -25.761 9.623 1.00 50.00 H new ATOM 446 N GLU A 30 -20.574 -24.611 7.641 1.00 16.66 N ATOM 447 CA GLU A 30 -20.173 -23.309 7.045 1.00 16.66 C ATOM 448 C GLU A 30 -19.275 -23.566 5.839 1.00 16.66 C ATOM 449 O GLU A 30 -19.533 -23.097 4.748 1.00 16.66 O ATOM 450 CB GLU A 30 -19.419 -22.478 8.083 1.00 16.66 C ATOM 451 CG GLU A 30 -20.346 -22.172 9.261 1.00 16.66 C ATOM 452 CD GLU A 30 -19.624 -21.265 10.259 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.601 -21.671 10.763 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.108 -20.182 10.504 1.00 16.66 O ATOM 0 H GLU A 30 -20.073 -24.876 8.489 1.00 16.66 H new ATOM 0 HA GLU A 30 -21.061 -22.762 6.729 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.539 -23.020 8.430 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -19.065 -21.550 7.634 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.255 -21.687 8.905 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.649 -23.098 9.749 1.00 16.66 H new ATOM 461 N LEU A 31 -18.219 -24.306 6.023 1.00 16.66 N ATOM 462 CA LEU A 31 -17.303 -24.591 4.887 1.00 16.66 C ATOM 463 C LEU A 31 -18.084 -25.312 3.793 1.00 16.66 C ATOM 464 O LEU A 31 -18.001 -24.978 2.629 1.00 16.66 O ATOM 465 CB LEU A 31 -16.155 -25.477 5.375 1.00 16.66 C ATOM 466 CG LEU A 31 -15.044 -25.505 4.324 1.00 16.66 C ATOM 467 CD1 LEU A 31 -13.725 -25.909 4.987 1.00 16.66 C ATOM 468 CD2 LEU A 31 -15.397 -26.520 3.235 1.00 16.66 C ATOM 0 H LEU A 31 -17.951 -24.726 6.913 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.895 -23.661 4.492 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.766 -25.097 6.320 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.517 -26.488 5.563 1.00 16.66 H new ATOM 0 HG LEU A 31 -14.940 -24.515 3.879 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -12.933 -25.929 4.239 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -13.472 -25.187 5.764 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -13.829 -26.899 5.432 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -14.605 -26.540 2.486 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -15.501 -27.510 3.680 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -16.337 -26.234 2.762 1.00 16.66 H new ATOM 480 N GLY A 32 -18.854 -26.295 4.164 1.00 16.66 N ATOM 481 CA GLY A 32 -19.653 -27.034 3.153 1.00 16.66 C ATOM 482 C GLY A 32 -20.622 -26.066 2.478 1.00 16.66 C ATOM 483 O GLY A 32 -20.790 -26.075 1.275 1.00 16.66 O ATOM 0 H GLY A 32 -18.964 -26.618 5.125 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.995 -27.486 2.411 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.203 -27.846 3.629 1.00 16.66 H new ATOM 487 N GLU A 33 -21.262 -25.232 3.247 1.00 16.66 N ATOM 488 CA GLU A 33 -22.225 -24.260 2.660 1.00 16.66 C ATOM 489 C GLU A 33 -21.521 -23.402 1.614 1.00 16.66 C ATOM 490 O GLU A 33 -22.035 -23.176 0.537 1.00 16.66 O ATOM 491 CB GLU A 33 -22.777 -23.361 3.766 1.00 50.00 C ATOM 492 CG GLU A 33 -24.096 -23.939 4.285 1.00 50.00 C ATOM 493 CD GLU A 33 -24.818 -22.883 5.127 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.347 -21.759 5.161 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.828 -23.220 5.722 1.00 50.00 O ATOM 0 H GLU A 33 -21.160 -25.181 4.261 1.00 16.66 H new ATOM 0 HA GLU A 33 -23.042 -24.805 2.187 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.056 -23.284 4.580 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -22.935 -22.352 3.384 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.725 -24.246 3.449 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.905 -24.829 4.884 1.00 50.00 H new ATOM 502 N ALA A 34 -20.345 -22.930 1.912 1.00 16.66 N ATOM 503 CA ALA A 34 -19.616 -22.096 0.921 1.00 16.66 C ATOM 504 C ALA A 34 -19.169 -22.988 -0.232 1.00 16.66 C ATOM 505 O ALA A 34 -19.210 -22.605 -1.385 1.00 16.66 O ATOM 506 CB ALA A 34 -18.392 -21.460 1.585 1.00 50.00 C ATOM 0 H ALA A 34 -19.859 -23.085 2.795 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.268 -21.306 0.549 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.859 -20.849 0.856 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.714 -20.834 2.417 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.730 -22.243 1.955 1.00 50.00 H new ATOM 512 N LEU A 35 -18.740 -24.180 0.073 1.00 99.99 N ATOM 513 CA LEU A 35 -18.285 -25.106 -0.998 1.00 99.99 C ATOM 514 C LEU A 35 -19.424 -25.344 -1.989 1.00 99.99 C ATOM 515 O LEU A 35 -19.197 -25.554 -3.164 1.00 99.99 O ATOM 516 CB LEU A 35 -17.868 -26.443 -0.378 1.00 99.99 C ATOM 517 CG LEU A 35 -16.374 -26.429 -0.035 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.929 -27.844 0.339 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.564 -25.950 -1.242 1.00 99.99 C ATOM 0 H LEU A 35 -18.685 -24.553 1.021 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.435 -24.663 -1.518 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.453 -26.632 0.522 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -18.081 -27.256 -1.073 1.00 99.99 H new ATOM 0 HG LEU A 35 -16.206 -25.752 0.802 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.867 -27.839 0.584 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.499 -28.188 1.202 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -16.104 -28.515 -0.502 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.504 -25.943 -0.989 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.732 -26.623 -2.083 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.878 -24.943 -1.515 1.00 99.99 H new ATOM 531 N LYS A 36 -20.648 -25.324 -1.529 1.00 99.99 N ATOM 532 CA LYS A 36 -21.796 -25.559 -2.453 1.00 99.99 C ATOM 533 C LYS A 36 -21.571 -24.804 -3.762 1.00 99.99 C ATOM 534 O LYS A 36 -22.067 -25.187 -4.804 1.00 99.99 O ATOM 535 CB LYS A 36 -23.083 -25.060 -1.796 1.00 99.99 C ATOM 536 CG LYS A 36 -23.886 -26.251 -1.270 1.00 99.99 C ATOM 537 CD LYS A 36 -25.206 -25.755 -0.678 1.00 99.99 C ATOM 538 CE LYS A 36 -26.083 -25.190 -1.798 1.00 99.99 C ATOM 539 NZ LYS A 36 -26.318 -23.738 -1.562 1.00 99.99 N ATOM 0 H LYS A 36 -20.901 -25.155 -0.555 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.877 -26.626 -2.663 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.846 -24.379 -0.979 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.677 -24.498 -2.517 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -24.080 -26.957 -2.077 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.312 -26.783 -0.511 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -25.722 -26.573 -0.174 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.016 -24.988 0.072 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -25.599 -25.339 -2.763 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -27.034 -25.722 -1.833 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -26.914 -23.355 -2.323 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -26.797 -23.608 -0.648 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -25.407 -23.236 -1.550 1.00 99.99 H new ATOM 553 N THR A 37 -20.831 -23.733 -3.721 1.00 99.99 N ATOM 554 CA THR A 37 -20.578 -22.953 -4.961 1.00 99.99 C ATOM 555 C THR A 37 -20.126 -23.904 -6.068 1.00 99.99 C ATOM 556 O THR A 37 -20.285 -23.632 -7.242 1.00 99.99 O ATOM 557 CB THR A 37 -19.488 -21.911 -4.692 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.489 -20.947 -5.734 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.121 -22.596 -4.626 1.00 99.99 C ATOM 0 H THR A 37 -20.389 -23.364 -2.879 1.00 99.99 H new ATOM 0 HA THR A 37 -21.490 -22.444 -5.272 1.00 99.99 H new ATOM 0 HB THR A 37 -19.687 -21.418 -3.740 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.667 -20.059 -5.358 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.349 -21.850 -4.435 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.121 -23.332 -3.822 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.917 -23.094 -5.574 1.00 99.99 H new ATOM 567 N LEU A 38 -19.568 -25.022 -5.700 1.00 16.66 N ATOM 568 CA LEU A 38 -19.108 -25.998 -6.727 1.00 16.66 C ATOM 569 C LEU A 38 -20.305 -26.463 -7.554 1.00 16.66 C ATOM 570 O LEU A 38 -20.205 -26.685 -8.744 1.00 16.66 O ATOM 571 CB LEU A 38 -18.471 -27.207 -6.040 1.00 50.00 C ATOM 572 CG LEU A 38 -17.117 -26.808 -5.451 1.00 50.00 C ATOM 573 CD1 LEU A 38 -16.998 -27.364 -4.030 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.996 -27.382 -6.320 1.00 50.00 C ATOM 0 H LEU A 38 -19.410 -25.303 -4.732 1.00 16.66 H new ATOM 0 HA LEU A 38 -18.374 -25.520 -7.376 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -19.127 -27.578 -5.252 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -18.343 -28.019 -6.756 1.00 50.00 H new ATOM 0 HG LEU A 38 -17.036 -25.721 -5.424 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -16.034 -27.081 -3.608 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -17.798 -26.957 -3.412 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -17.077 -28.451 -4.057 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -15.030 -27.099 -5.902 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -16.076 -28.469 -6.346 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.083 -26.988 -7.333 1.00 50.00 H new ATOM 586 N GLY A 39 -21.440 -26.612 -6.930 1.00 16.66 N ATOM 587 CA GLY A 39 -22.647 -27.065 -7.674 1.00 16.66 C ATOM 588 C GLY A 39 -22.578 -28.579 -7.886 1.00 16.66 C ATOM 589 O GLY A 39 -23.487 -29.181 -8.421 1.00 16.66 O ATOM 0 H GLY A 39 -21.584 -26.439 -5.935 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -23.548 -26.806 -7.118 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.707 -26.555 -8.635 1.00 16.66 H new ATOM 593 N SER A 40 -21.506 -29.200 -7.472 1.00 16.66 N ATOM 594 CA SER A 40 -21.384 -30.673 -7.656 1.00 16.66 C ATOM 595 C SER A 40 -20.414 -31.243 -6.618 1.00 16.66 C ATOM 596 O SER A 40 -19.340 -31.706 -6.948 1.00 16.66 O ATOM 597 CB SER A 40 -20.855 -30.963 -9.060 1.00 16.66 C ATOM 598 OG SER A 40 -21.915 -31.440 -9.876 1.00 16.66 O ATOM 0 H SER A 40 -20.712 -28.751 -7.016 1.00 16.66 H new ATOM 0 HA SER A 40 -22.362 -31.138 -7.528 1.00 16.66 H new ATOM 0 HB2 SER A 40 -20.427 -30.059 -9.493 1.00 16.66 H new ATOM 0 HB3 SER A 40 -20.056 -31.703 -9.014 1.00 16.66 H new ATOM 0 HG SER A 40 -22.725 -30.917 -9.699 1.00 16.66 H new ATOM 604 N ILE A 41 -20.783 -31.218 -5.367 1.00 16.66 N ATOM 605 CA ILE A 41 -19.880 -31.764 -4.315 1.00 16.66 C ATOM 606 C ILE A 41 -20.718 -32.326 -3.161 1.00 16.66 C ATOM 607 O ILE A 41 -21.910 -32.107 -3.083 1.00 16.66 O ATOM 608 CB ILE A 41 -18.959 -30.649 -3.799 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.732 -31.272 -3.129 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.703 -29.778 -2.782 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.654 -30.201 -2.945 1.00 16.66 C ATOM 0 H ILE A 41 -21.669 -30.844 -5.028 1.00 16.66 H new ATOM 0 HA ILE A 41 -19.271 -32.564 -4.737 1.00 16.66 H new ATOM 0 HB ILE A 41 -18.647 -30.029 -4.640 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -18.007 -31.696 -2.163 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -17.347 -32.090 -3.738 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -19.040 -28.991 -2.423 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.575 -29.329 -3.257 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -20.024 -30.393 -1.941 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.779 -30.643 -2.468 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -16.372 -29.798 -3.918 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -17.042 -29.398 -2.318 1.00 16.66 H new ATOM 623 N THR A 42 -20.103 -33.050 -2.268 1.00 16.66 N ATOM 624 CA THR A 42 -20.863 -33.627 -1.121 1.00 16.66 C ATOM 625 C THR A 42 -20.288 -33.088 0.184 1.00 16.66 C ATOM 626 O THR A 42 -19.209 -32.528 0.215 1.00 16.66 O ATOM 627 CB THR A 42 -20.746 -35.165 -1.117 1.00 16.66 C ATOM 628 OG1 THR A 42 -20.119 -35.597 0.085 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.915 -35.640 -2.311 1.00 16.66 C ATOM 0 H THR A 42 -19.107 -33.268 -2.282 1.00 16.66 H new ATOM 0 HA THR A 42 -21.912 -33.347 -1.219 1.00 16.66 H new ATOM 0 HB THR A 42 -21.748 -35.588 -1.185 1.00 16.66 H new ATOM 0 HG1 THR A 42 -20.592 -36.380 0.438 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.842 -36.727 -2.294 1.00 16.66 H new ATOM 0 HG22 THR A 42 -20.395 -35.323 -3.237 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.916 -35.208 -2.254 1.00 16.66 H new ATOM 637 N PRO A 43 -21.012 -33.296 1.288 1.00 16.66 N ATOM 638 CA PRO A 43 -20.561 -32.866 2.609 1.00 16.66 C ATOM 639 C PRO A 43 -19.405 -33.747 3.074 1.00 16.66 C ATOM 640 O PRO A 43 -18.549 -33.329 3.829 1.00 16.66 O ATOM 641 CB PRO A 43 -21.784 -33.085 3.498 1.00 50.00 C ATOM 642 CG PRO A 43 -22.568 -34.149 2.806 1.00 50.00 C ATOM 643 CD PRO A 43 -22.324 -33.966 1.334 1.00 50.00 C ATOM 0 HA PRO A 43 -20.204 -31.836 2.627 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.494 -33.396 4.502 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.366 -32.169 3.604 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -22.251 -35.139 3.132 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.630 -34.062 3.038 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -22.307 -34.920 0.807 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -23.102 -33.360 0.870 1.00 50.00 H new ATOM 651 N ASP A 44 -19.380 -34.973 2.622 1.00 16.66 N ATOM 652 CA ASP A 44 -18.289 -35.902 3.026 1.00 16.66 C ATOM 653 C ASP A 44 -16.938 -35.335 2.588 1.00 16.66 C ATOM 654 O ASP A 44 -15.924 -35.584 3.208 1.00 16.66 O ATOM 655 CB ASP A 44 -18.507 -37.264 2.365 1.00 50.00 C ATOM 656 CG ASP A 44 -19.788 -37.897 2.912 1.00 50.00 C ATOM 657 OD1 ASP A 44 -20.293 -37.402 3.906 1.00 50.00 O ATOM 658 OD2 ASP A 44 -20.241 -38.867 2.329 1.00 50.00 O ATOM 0 H ASP A 44 -20.072 -35.371 1.987 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.298 -36.016 4.110 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.579 -37.148 1.284 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.655 -37.915 2.560 1.00 50.00 H new ATOM 663 N GLU A 45 -16.911 -34.567 1.533 1.00 16.66 N ATOM 664 CA GLU A 45 -15.620 -33.985 1.078 1.00 16.66 C ATOM 665 C GLU A 45 -15.318 -32.760 1.933 1.00 16.66 C ATOM 666 O GLU A 45 -14.182 -32.468 2.248 1.00 16.66 O ATOM 667 CB GLU A 45 -15.730 -33.574 -0.391 1.00 16.66 C ATOM 668 CG GLU A 45 -15.962 -34.816 -1.252 1.00 16.66 C ATOM 669 CD GLU A 45 -15.748 -34.463 -2.726 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.513 -33.300 -3.008 1.00 16.66 O ATOM 671 OE2 GLU A 45 -15.821 -35.363 -3.546 1.00 16.66 O ATOM 0 H GLU A 45 -17.724 -34.319 0.970 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.821 -34.719 1.179 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.551 -32.869 -0.522 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.819 -33.065 -0.706 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -15.278 -35.611 -0.954 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.974 -35.193 -1.100 1.00 16.66 H new ATOM 678 N VAL A 46 -16.338 -32.047 2.318 1.00 16.66 N ATOM 679 CA VAL A 46 -16.129 -30.843 3.165 1.00 16.66 C ATOM 680 C VAL A 46 -15.602 -31.278 4.531 1.00 16.66 C ATOM 681 O VAL A 46 -14.788 -30.612 5.139 1.00 16.66 O ATOM 682 CB VAL A 46 -17.456 -30.109 3.342 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.299 -29.011 4.396 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.864 -29.483 2.010 1.00 50.00 C ATOM 0 H VAL A 46 -17.310 -32.247 2.082 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.409 -30.178 2.688 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.222 -30.812 3.667 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.247 -28.488 4.521 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -17.003 -29.458 5.345 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.535 -28.304 4.074 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.811 -28.957 2.130 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -17.096 -28.779 1.689 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.976 -30.265 1.259 1.00 50.00 H new ATOM 694 N LYS A 47 -16.057 -32.401 5.010 1.00 16.66 N ATOM 695 CA LYS A 47 -15.578 -32.893 6.330 1.00 16.66 C ATOM 696 C LYS A 47 -14.114 -33.307 6.198 1.00 16.66 C ATOM 697 O LYS A 47 -13.312 -33.090 7.083 1.00 16.66 O ATOM 698 CB LYS A 47 -16.415 -34.095 6.771 1.00 16.66 C ATOM 699 CG LYS A 47 -15.782 -34.729 8.011 1.00 16.66 C ATOM 700 CD LYS A 47 -16.654 -35.891 8.493 1.00 16.66 C ATOM 701 CE LYS A 47 -16.300 -37.155 7.707 1.00 50.00 C ATOM 702 NZ LYS A 47 -17.452 -37.539 6.843 1.00 50.00 N ATOM 0 H LYS A 47 -16.740 -32.999 4.545 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.675 -32.103 7.075 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -17.435 -33.780 6.991 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.474 -34.826 5.965 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -14.779 -35.086 7.778 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -15.680 -33.985 8.801 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -16.500 -36.058 9.559 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -17.708 -35.649 8.358 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -15.415 -36.980 7.095 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -16.059 -37.967 8.393 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -17.213 -38.398 6.308 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -18.286 -37.722 7.437 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -17.662 -36.765 6.180 1.00 50.00 H new ATOM 716 N HIS A 48 -13.762 -33.895 5.089 1.00 16.66 N ATOM 717 CA HIS A 48 -12.350 -34.316 4.888 1.00 16.66 C ATOM 718 C HIS A 48 -11.471 -33.073 4.764 1.00 16.66 C ATOM 719 O HIS A 48 -10.375 -33.021 5.286 1.00 16.66 O ATOM 720 CB HIS A 48 -12.241 -35.146 3.609 1.00 16.66 C ATOM 721 CG HIS A 48 -10.791 -35.413 3.308 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.343 -35.707 2.030 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.676 -35.434 4.109 1.00 16.66 C ATOM 724 CE1 HIS A 48 -9.012 -35.890 2.098 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.555 -35.736 3.343 1.00 50.00 N ATOM 0 H HIS A 48 -14.392 -34.102 4.314 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.022 -34.916 5.736 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -12.779 -36.087 3.726 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.705 -34.615 2.777 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -9.670 -35.245 5.172 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.389 -36.132 1.249 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.591 -35.821 3.664 1.00 50.00 H new ATOM 733 N MET A 49 -11.945 -32.062 4.086 1.00 16.66 N ATOM 734 CA MET A 49 -11.135 -30.825 3.943 1.00 16.66 C ATOM 735 C MET A 49 -10.898 -30.235 5.330 1.00 16.66 C ATOM 736 O MET A 49 -9.793 -29.876 5.687 1.00 16.66 O ATOM 737 CB MET A 49 -11.891 -29.819 3.078 1.00 16.66 C ATOM 738 CG MET A 49 -11.609 -30.103 1.602 1.00 16.66 C ATOM 739 SD MET A 49 -11.744 -28.567 0.656 1.00 16.66 S ATOM 740 CE MET A 49 -12.570 -29.267 -0.794 1.00 16.66 C ATOM 0 H MET A 49 -12.856 -32.042 3.627 1.00 16.66 H new ATOM 0 HA MET A 49 -10.180 -31.055 3.470 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.961 -29.886 3.274 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.584 -28.804 3.329 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.612 -30.527 1.486 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.315 -30.841 1.221 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.754 -28.479 -1.524 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.935 -30.033 -1.240 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.518 -29.712 -0.493 1.00 16.66 H new ATOM 750 N MET A 50 -11.932 -30.140 6.115 1.00 16.66 N ATOM 751 CA MET A 50 -11.779 -29.583 7.483 1.00 16.66 C ATOM 752 C MET A 50 -10.851 -30.489 8.289 1.00 16.66 C ATOM 753 O MET A 50 -9.921 -30.036 8.924 1.00 16.66 O ATOM 754 CB MET A 50 -13.149 -29.519 8.156 1.00 16.66 C ATOM 755 CG MET A 50 -13.896 -28.278 7.666 1.00 16.66 C ATOM 756 SD MET A 50 -15.275 -27.925 8.782 1.00 16.66 S ATOM 757 CE MET A 50 -14.289 -27.318 10.172 1.00 50.00 C ATOM 0 H MET A 50 -12.879 -30.425 5.866 1.00 16.66 H new ATOM 0 HA MET A 50 -11.355 -28.580 7.432 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.722 -30.417 7.926 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.033 -29.484 9.239 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.219 -27.425 7.626 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.266 -28.439 6.653 1.00 16.66 H new ATOM 0 HE1 MET A 50 -14.949 -26.890 10.926 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.727 -28.144 10.608 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.596 -26.554 9.820 1.00 50.00 H new ATOM 767 N ALA A 51 -11.090 -31.767 8.259 1.00 16.66 N ATOM 768 CA ALA A 51 -10.216 -32.706 9.015 1.00 16.66 C ATOM 769 C ALA A 51 -8.776 -32.555 8.519 1.00 16.66 C ATOM 770 O ALA A 51 -7.836 -32.955 9.174 1.00 16.66 O ATOM 771 CB ALA A 51 -10.689 -34.143 8.788 1.00 50.00 C ATOM 0 H ALA A 51 -11.854 -32.204 7.743 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.265 -32.478 10.080 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -10.048 -34.829 9.342 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.717 -34.247 9.135 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.639 -34.379 7.725 1.00 50.00 H new ATOM 777 N GLU A 52 -8.601 -31.972 7.364 1.00 16.66 N ATOM 778 CA GLU A 52 -7.227 -31.785 6.822 1.00 16.66 C ATOM 779 C GLU A 52 -6.762 -30.358 7.112 1.00 16.66 C ATOM 780 O GLU A 52 -5.605 -30.113 7.391 1.00 16.66 O ATOM 781 CB GLU A 52 -7.234 -32.027 5.312 1.00 16.66 C ATOM 782 CG GLU A 52 -7.089 -33.524 5.035 1.00 16.66 C ATOM 783 CD GLU A 52 -6.522 -33.730 3.629 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.504 -32.772 2.873 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.117 -34.841 3.332 1.00 16.66 O ATOM 0 H GLU A 52 -9.352 -31.617 6.772 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.547 -32.494 7.295 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -8.161 -31.654 4.877 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.418 -31.478 4.841 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.430 -33.979 5.775 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -8.057 -34.017 5.124 1.00 16.66 H new ATOM 792 N ILE A 53 -7.661 -29.416 7.050 1.00 16.66 N ATOM 793 CA ILE A 53 -7.289 -28.003 7.324 1.00 16.66 C ATOM 794 C ILE A 53 -7.271 -27.759 8.833 1.00 16.66 C ATOM 795 O ILE A 53 -6.496 -26.972 9.338 1.00 16.66 O ATOM 796 CB ILE A 53 -8.322 -27.089 6.676 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.321 -27.320 5.166 1.00 16.66 C ATOM 798 CG2 ILE A 53 -7.971 -25.634 6.980 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.426 -26.485 4.523 1.00 50.00 C ATOM 0 H ILE A 53 -8.643 -29.567 6.820 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.299 -27.797 6.916 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.313 -27.309 7.073 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.353 -27.047 4.746 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.476 -28.377 4.949 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.708 -24.978 6.518 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -7.971 -25.477 8.059 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -6.982 -25.407 6.581 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.426 -26.649 3.445 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.391 -26.780 4.935 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.251 -25.429 4.729 1.00 50.00 H new ATOM 811 N ASP A 54 -8.120 -28.434 9.554 1.00 16.66 N ATOM 812 CA ASP A 54 -8.169 -28.261 11.029 1.00 16.66 C ATOM 813 C ASP A 54 -6.794 -28.595 11.620 1.00 16.66 C ATOM 814 O ASP A 54 -6.438 -29.746 11.777 1.00 16.66 O ATOM 815 CB ASP A 54 -9.229 -29.216 11.580 1.00 16.66 C ATOM 816 CG ASP A 54 -9.764 -28.698 12.916 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.364 -27.621 13.315 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.576 -29.385 13.513 1.00 16.66 O ATOM 0 H ASP A 54 -8.789 -29.106 9.179 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.422 -27.234 11.293 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.047 -29.314 10.866 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.800 -30.209 11.712 1.00 16.66 H new ATOM 823 N THR A 55 -6.014 -27.595 11.932 1.00 16.66 N ATOM 824 CA THR A 55 -4.654 -27.849 12.494 1.00 16.66 C ATOM 825 C THR A 55 -4.758 -28.411 13.911 1.00 16.66 C ATOM 826 O THR A 55 -4.100 -29.372 14.257 1.00 16.66 O ATOM 827 CB THR A 55 -3.868 -26.537 12.532 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.594 -25.575 13.282 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.654 -26.025 11.107 1.00 50.00 C ATOM 0 H THR A 55 -6.260 -26.611 11.822 1.00 16.66 H new ATOM 0 HA THR A 55 -4.143 -28.574 11.861 1.00 16.66 H new ATOM 0 HB THR A 55 -2.899 -26.707 13.001 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.540 -25.829 13.312 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.094 -25.090 11.136 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.095 -26.765 10.535 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.620 -25.854 10.633 1.00 50.00 H new ATOM 837 N ASP A 56 -5.572 -27.821 14.737 1.00 16.66 N ATOM 838 CA ASP A 56 -5.701 -28.330 16.135 1.00 16.66 C ATOM 839 C ASP A 56 -6.736 -29.456 16.177 1.00 16.66 C ATOM 840 O ASP A 56 -6.631 -30.377 16.963 1.00 16.66 O ATOM 841 CB ASP A 56 -6.122 -27.201 17.087 1.00 16.66 C ATOM 842 CG ASP A 56 -6.988 -26.180 16.347 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.047 -26.560 15.879 1.00 16.66 O ATOM 844 OD2 ASP A 56 -6.577 -25.035 16.262 1.00 16.66 O ATOM 0 H ASP A 56 -6.152 -27.013 14.510 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.732 -28.711 16.459 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -6.675 -27.614 17.930 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.238 -26.711 17.495 1.00 16.66 H new ATOM 849 N GLY A 57 -7.727 -29.399 15.333 1.00 16.66 N ATOM 850 CA GLY A 57 -8.756 -30.477 15.325 1.00 16.66 C ATOM 851 C GLY A 57 -9.932 -30.091 16.224 1.00 16.66 C ATOM 852 O GLY A 57 -10.603 -30.941 16.774 1.00 16.66 O ATOM 0 H GLY A 57 -7.870 -28.655 14.650 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.107 -30.647 14.307 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.316 -31.412 15.671 1.00 16.66 H new ATOM 856 N ASP A 58 -10.195 -28.822 16.382 1.00 16.66 N ATOM 857 CA ASP A 58 -11.334 -28.411 17.249 1.00 16.66 C ATOM 858 C ASP A 58 -12.638 -28.493 16.449 1.00 16.66 C ATOM 859 O ASP A 58 -13.713 -28.271 16.971 1.00 16.66 O ATOM 860 CB ASP A 58 -11.114 -26.982 17.762 1.00 50.00 C ATOM 861 CG ASP A 58 -11.418 -25.974 16.653 1.00 50.00 C ATOM 862 OD1 ASP A 58 -10.916 -26.161 15.559 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.141 -25.030 16.920 1.00 50.00 O ATOM 0 H ASP A 58 -9.674 -28.058 15.951 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.398 -29.081 18.106 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -11.756 -26.793 18.622 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.085 -26.863 18.100 1.00 50.00 H new ATOM 868 N GLY A 59 -12.553 -28.827 15.188 1.00 16.66 N ATOM 869 CA GLY A 59 -13.788 -28.944 14.362 1.00 16.66 C ATOM 870 C GLY A 59 -13.980 -27.690 13.506 1.00 16.66 C ATOM 871 O GLY A 59 -14.849 -27.639 12.660 1.00 16.66 O ATOM 0 H GLY A 59 -11.682 -29.024 14.696 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.722 -29.823 13.721 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.654 -29.086 15.009 1.00 16.66 H new ATOM 875 N PHE A 60 -13.193 -26.671 13.719 1.00 16.66 N ATOM 876 CA PHE A 60 -13.366 -25.430 12.911 1.00 16.66 C ATOM 877 C PHE A 60 -12.023 -24.924 12.376 1.00 16.66 C ATOM 878 O PHE A 60 -10.958 -25.183 12.930 1.00 16.66 O ATOM 879 CB PHE A 60 -13.993 -24.339 13.776 1.00 50.00 C ATOM 880 CG PHE A 60 -15.188 -24.892 14.513 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.390 -25.108 13.832 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.093 -25.180 15.878 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.499 -25.616 14.517 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.201 -25.688 16.563 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.406 -25.905 15.883 1.00 50.00 C ATOM 0 H PHE A 60 -12.444 -26.643 14.411 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.014 -25.666 12.067 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.259 -23.960 14.487 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.296 -23.498 13.153 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.462 -24.883 12.778 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.164 -25.010 16.403 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.427 -25.785 13.991 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.128 -25.913 17.617 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.263 -26.295 16.412 1.00 50.00 H new ATOM 895 N ILE A 61 -12.069 -24.179 11.305 1.00 16.66 N ATOM 896 CA ILE A 61 -10.825 -23.622 10.724 1.00 16.66 C ATOM 897 C ILE A 61 -10.789 -22.119 11.013 1.00 16.66 C ATOM 898 O ILE A 61 -11.737 -21.406 10.750 1.00 16.66 O ATOM 899 CB ILE A 61 -10.817 -23.851 9.210 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.142 -25.316 8.913 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.434 -23.510 8.651 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.097 -26.219 9.573 1.00 16.66 C ATOM 0 H ILE A 61 -12.925 -23.933 10.807 1.00 16.66 H new ATOM 0 HA ILE A 61 -9.955 -24.112 11.162 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.566 -23.212 8.742 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.136 -25.561 9.286 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.155 -25.485 7.836 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.427 -23.673 7.573 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.204 -22.466 8.862 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.685 -24.148 9.119 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.331 -27.262 9.360 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.109 -25.981 9.179 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.106 -26.058 10.651 1.00 16.66 H new ATOM 914 N SER A 62 -9.706 -21.631 11.540 1.00 16.66 N ATOM 915 CA SER A 62 -9.609 -20.179 11.836 1.00 16.66 C ATOM 916 C SER A 62 -8.909 -19.489 10.669 1.00 16.66 C ATOM 917 O SER A 62 -8.329 -20.131 9.816 1.00 16.66 O ATOM 918 CB SER A 62 -8.800 -19.969 13.117 1.00 16.66 C ATOM 919 OG SER A 62 -9.023 -21.058 14.001 1.00 16.66 O ATOM 0 H SER A 62 -8.879 -22.178 11.780 1.00 16.66 H new ATOM 0 HA SER A 62 -10.606 -19.759 11.973 1.00 16.66 H new ATOM 0 HB2 SER A 62 -7.739 -19.890 12.881 1.00 16.66 H new ATOM 0 HB3 SER A 62 -9.091 -19.033 13.595 1.00 16.66 H new ATOM 0 HG SER A 62 -8.504 -20.925 14.821 1.00 16.66 H new ATOM 925 N PHE A 63 -8.958 -18.192 10.616 1.00 16.66 N ATOM 926 CA PHE A 63 -8.293 -17.484 9.493 1.00 16.66 C ATOM 927 C PHE A 63 -6.827 -17.899 9.452 1.00 16.66 C ATOM 928 O PHE A 63 -6.268 -18.156 8.405 1.00 16.66 O ATOM 929 CB PHE A 63 -8.389 -15.974 9.697 1.00 16.66 C ATOM 930 CG PHE A 63 -7.702 -15.294 8.542 1.00 16.66 C ATOM 931 CD1 PHE A 63 -8.072 -15.614 7.233 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.692 -14.356 8.778 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.433 -14.995 6.157 1.00 16.66 C ATOM 934 CE2 PHE A 63 -6.051 -13.736 7.700 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.423 -14.056 6.389 1.00 16.66 C ATOM 0 H PHE A 63 -9.426 -17.594 11.297 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.783 -17.745 8.555 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.433 -15.664 9.753 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.921 -15.688 10.639 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.852 -16.340 7.054 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.407 -14.111 9.791 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.719 -15.241 5.145 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.270 -13.012 7.879 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.930 -13.577 5.556 1.00 16.66 H new ATOM 945 N GLN A 64 -6.203 -17.970 10.591 1.00 16.66 N ATOM 946 CA GLN A 64 -4.776 -18.374 10.637 1.00 16.66 C ATOM 947 C GLN A 64 -4.643 -19.802 10.102 1.00 16.66 C ATOM 948 O GLN A 64 -3.799 -20.093 9.278 1.00 16.66 O ATOM 949 CB GLN A 64 -4.293 -18.321 12.085 1.00 16.66 C ATOM 950 CG GLN A 64 -2.776 -18.516 12.128 1.00 16.66 C ATOM 951 CD GLN A 64 -2.442 -19.986 11.865 1.00 50.00 C ATOM 952 OE1 GLN A 64 -3.134 -20.870 12.331 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.404 -20.286 11.135 1.00 50.00 N ATOM 0 H GLN A 64 -6.624 -17.764 11.497 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.175 -17.700 10.026 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.559 -17.364 12.533 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.786 -19.096 12.672 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.296 -17.884 11.381 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.387 -18.212 13.100 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -0.824 -19.544 10.744 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -1.172 -21.263 10.955 1.00 50.00 H new ATOM 962 N GLU A 65 -5.481 -20.695 10.560 1.00 16.66 N ATOM 963 CA GLU A 65 -5.414 -22.101 10.074 1.00 16.66 C ATOM 964 C GLU A 65 -5.602 -22.112 8.559 1.00 16.66 C ATOM 965 O GLU A 65 -4.856 -22.739 7.832 1.00 16.66 O ATOM 966 CB GLU A 65 -6.536 -22.915 10.723 1.00 16.66 C ATOM 967 CG GLU A 65 -6.077 -23.451 12.083 1.00 16.66 C ATOM 968 CD GLU A 65 -7.205 -24.274 12.719 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.347 -24.037 12.391 1.00 16.66 O ATOM 970 OE2 GLU A 65 -6.910 -25.129 13.525 1.00 16.66 O ATOM 0 H GLU A 65 -6.209 -20.509 11.250 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.448 -22.535 10.333 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.422 -22.292 10.849 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.818 -23.743 10.073 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.187 -24.069 11.960 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.803 -22.624 12.738 1.00 16.66 H new ATOM 977 N PHE A 66 -6.598 -21.422 8.079 1.00 16.66 N ATOM 978 CA PHE A 66 -6.845 -21.385 6.612 1.00 16.66 C ATOM 979 C PHE A 66 -5.616 -20.814 5.906 1.00 16.66 C ATOM 980 O PHE A 66 -5.224 -21.270 4.851 1.00 16.66 O ATOM 981 CB PHE A 66 -8.057 -20.500 6.323 1.00 16.66 C ATOM 982 CG PHE A 66 -8.394 -20.570 4.853 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.788 -19.683 3.953 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.309 -21.522 4.389 1.00 16.66 C ATOM 985 CE1 PHE A 66 -8.100 -19.749 2.590 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.620 -21.587 3.026 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.016 -20.701 2.126 1.00 16.66 C ATOM 0 H PHE A 66 -7.254 -20.880 8.642 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.038 -22.394 6.248 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -8.910 -20.827 6.918 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -7.845 -19.470 6.609 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.081 -18.949 4.311 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.775 -22.206 5.083 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.634 -19.065 1.896 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.327 -22.321 2.668 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.256 -20.752 1.074 1.00 16.66 H new ATOM 997 N THR A 67 -5.005 -19.822 6.486 1.00 16.66 N ATOM 998 CA THR A 67 -3.800 -19.220 5.853 1.00 16.66 C ATOM 999 C THR A 67 -2.673 -20.256 5.827 1.00 16.66 C ATOM 1000 O THR A 67 -2.010 -20.442 4.826 1.00 16.66 O ATOM 1001 CB THR A 67 -3.359 -17.998 6.663 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.286 -16.941 6.460 1.00 50.00 O ATOM 1003 CG2 THR A 67 -1.968 -17.555 6.205 1.00 50.00 C ATOM 0 H THR A 67 -5.287 -19.401 7.371 1.00 16.66 H new ATOM 0 HA THR A 67 -4.033 -18.912 4.834 1.00 16.66 H new ATOM 0 HB THR A 67 -3.325 -18.255 7.722 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.069 -17.078 7.034 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.655 -16.685 6.782 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.258 -18.368 6.359 1.00 50.00 H new ATOM 0 HG23 THR A 67 -1.999 -17.296 5.147 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.451 -20.936 6.920 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.369 -21.959 6.953 1.00 25.00 C ATOM 1013 C ASP A 68 -1.644 -23.028 5.894 1.00 25.00 C ATOM 1014 O ASP A 68 -0.748 -23.497 5.221 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.323 -22.611 8.337 1.00 25.00 C ATOM 1016 CG ASP A 68 -0.075 -23.490 8.443 1.00 25.00 C ATOM 1017 OD1 ASP A 68 0.652 -23.574 7.467 1.00 50.00 O ATOM 1018 OD2 ASP A 68 0.132 -24.064 9.500 1.00 50.00 O ATOM 0 H ASP A 68 -2.972 -20.827 7.790 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.412 -21.481 6.746 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -1.308 -21.845 9.112 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -2.219 -23.211 8.499 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.879 -23.415 5.740 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.220 -24.447 4.727 1.00 25.00 C ATOM 1025 C PHE A 69 -3.118 -23.821 3.331 1.00 25.00 C ATOM 1026 O PHE A 69 -2.698 -24.456 2.383 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.645 -24.958 5.016 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.384 -25.240 3.732 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -5.876 -24.177 2.972 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.572 -26.557 3.303 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.559 -24.430 1.778 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.254 -26.812 2.112 1.00 50.00 C ATOM 1033 CZ PHE A 69 -6.748 -25.749 1.346 1.00 50.00 C ATOM 0 H PHE A 69 -3.670 -23.058 6.276 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.532 -25.291 4.772 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.596 -25.865 5.619 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.191 -24.216 5.599 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.729 -23.160 3.306 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.190 -27.377 3.893 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -6.940 -23.609 1.189 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.401 -27.830 1.781 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.274 -25.946 0.423 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.494 -22.581 3.202 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.415 -21.912 1.874 1.00 16.66 C ATOM 1045 C GLY A 70 -1.969 -21.941 1.376 1.00 16.66 C ATOM 1046 O GLY A 70 -1.711 -22.054 0.194 1.00 16.66 O ATOM 0 H GLY A 70 -3.853 -22.000 3.960 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.067 -22.416 1.161 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -3.764 -20.882 1.952 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.022 -21.840 2.270 1.00 25.00 N ATOM 1051 CA ARG A 71 0.406 -21.865 1.847 1.00 25.00 C ATOM 1052 C ARG A 71 0.738 -23.242 1.272 1.00 25.00 C ATOM 1053 O ARG A 71 1.591 -23.381 0.418 1.00 25.00 O ATOM 1054 CB ARG A 71 1.301 -21.586 3.056 1.00 50.00 C ATOM 1055 CG ARG A 71 1.054 -20.161 3.554 1.00 50.00 C ATOM 1056 CD ARG A 71 2.056 -19.827 4.660 1.00 50.00 C ATOM 1057 NE ARG A 71 1.925 -20.817 5.766 1.00 50.00 N ATOM 1058 CZ ARG A 71 2.251 -20.481 6.985 1.00 50.00 C ATOM 1059 NH1 ARG A 71 3.472 -20.664 7.407 1.00 50.00 N ATOM 1060 NH2 ARG A 71 1.356 -19.962 7.780 1.00 50.00 N ATOM 0 H ARG A 71 -1.176 -21.741 3.273 1.00 25.00 H new ATOM 0 HA ARG A 71 0.576 -21.102 1.088 1.00 25.00 H new ATOM 0 HB2 ARG A 71 1.091 -22.302 3.851 1.00 50.00 H new ATOM 0 HB3 ARG A 71 2.349 -21.711 2.783 1.00 50.00 H new ATOM 0 HG2 ARG A 71 1.156 -19.454 2.731 1.00 50.00 H new ATOM 0 HG3 ARG A 71 0.035 -20.067 3.931 1.00 50.00 H new ATOM 0 HD2 ARG A 71 3.071 -19.842 4.262 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.876 -18.820 5.036 1.00 50.00 H new ATOM 0 HE ARG A 71 1.581 -21.757 5.571 1.00 50.00 H new ATOM 0 HH11 ARG A 71 4.171 -21.069 6.785 1.00 50.00 H new ATOM 0 HH12 ARG A 71 3.727 -20.402 8.359 1.00 50.00 H new ATOM 0 HH21 ARG A 71 0.402 -19.819 7.449 1.00 50.00 H new ATOM 0 HH22 ARG A 71 1.611 -19.700 8.732 1.00 50.00 H new ATOM 1074 N ALA A 72 0.065 -24.260 1.732 1.00 25.00 N ATOM 1075 CA ALA A 72 0.334 -25.629 1.210 1.00 25.00 C ATOM 1076 C ALA A 72 -0.226 -25.744 -0.208 1.00 25.00 C ATOM 1077 O ALA A 72 0.192 -26.575 -0.989 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.350 -26.657 2.113 1.00 50.00 C ATOM 0 H ALA A 72 -0.660 -24.203 2.447 1.00 25.00 H new ATOM 0 HA ALA A 72 1.408 -25.815 1.196 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.156 -27.660 1.734 1.00 50.00 H new ATOM 0 HB2 ALA A 72 0.042 -26.569 3.126 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.425 -26.475 2.123 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.168 -24.907 -0.545 1.00 25.00 N ATOM 1085 CA ASN A 73 -1.761 -24.953 -1.909 1.00 25.00 C ATOM 1086 C ASN A 73 -2.221 -23.549 -2.299 1.00 25.00 C ATOM 1087 O ASN A 73 -3.380 -23.318 -2.581 1.00 25.00 O ATOM 1088 CB ASN A 73 -2.959 -25.906 -1.915 1.00 25.00 C ATOM 1089 CG ASN A 73 -2.700 -27.059 -0.944 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -1.834 -27.879 -1.172 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.422 -27.155 0.139 1.00 50.00 N ATOM 0 H ASN A 73 -1.554 -24.190 0.070 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.017 -25.308 -2.623 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -3.864 -25.371 -1.627 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.124 -26.293 -2.920 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.259 -27.919 0.795 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -4.149 -26.466 0.330 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.319 -22.606 -2.314 1.00 25.00 N ATOM 1099 CA ARG A 74 -1.702 -21.216 -2.683 1.00 25.00 C ATOM 1100 C ARG A 74 -2.475 -21.252 -3.996 1.00 25.00 C ATOM 1101 O ARG A 74 -3.448 -20.549 -4.179 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.441 -20.365 -2.849 1.00 25.00 C ATOM 1103 CG ARG A 74 0.230 -20.175 -1.488 1.00 25.00 C ATOM 1104 CD ARG A 74 1.301 -19.088 -1.593 1.00 25.00 C ATOM 1105 NE ARG A 74 2.314 -19.485 -2.612 1.00 25.00 N ATOM 1106 CZ ARG A 74 2.810 -18.589 -3.420 1.00 50.00 C ATOM 1107 NH1 ARG A 74 3.098 -17.396 -2.976 1.00 50.00 N ATOM 1108 NH2 ARG A 74 3.021 -18.886 -4.673 1.00 50.00 N ATOM 0 H ARG A 74 -0.334 -22.739 -2.086 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.324 -20.781 -1.901 1.00 25.00 H new ATOM 0 HB2 ARG A 74 0.248 -20.848 -3.542 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -0.697 -19.396 -3.278 1.00 25.00 H new ATOM 0 HG2 ARG A 74 -0.513 -19.897 -0.740 1.00 25.00 H new ATOM 0 HG3 ARG A 74 0.679 -21.112 -1.158 1.00 25.00 H new ATOM 0 HD2 ARG A 74 0.844 -18.138 -1.870 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.781 -18.941 -0.626 1.00 25.00 H new ATOM 0 HE ARG A 74 2.619 -20.456 -2.677 1.00 25.00 H new ATOM 0 HH11 ARG A 74 2.935 -17.163 -1.996 1.00 50.00 H new ATOM 0 HH12 ARG A 74 3.486 -16.696 -3.609 1.00 50.00 H new ATOM 0 HH21 ARG A 74 2.798 -19.819 -5.021 1.00 50.00 H new ATOM 0 HH22 ARG A 74 3.409 -18.185 -5.305 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.048 -22.074 -4.907 1.00 25.00 N ATOM 1123 CA GLY A 75 -2.750 -22.173 -6.212 1.00 25.00 C ATOM 1124 C GLY A 75 -4.197 -22.609 -5.977 1.00 25.00 C ATOM 1125 O GLY A 75 -5.090 -22.267 -6.726 1.00 25.00 O ATOM 0 H GLY A 75 -1.238 -22.685 -4.804 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -2.727 -21.211 -6.724 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.242 -22.890 -6.857 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.435 -23.363 -4.939 1.00 25.00 N ATOM 1130 CA LEU A 76 -5.823 -23.822 -4.653 1.00 25.00 C ATOM 1131 C LEU A 76 -6.689 -22.621 -4.273 1.00 25.00 C ATOM 1132 O LEU A 76 -7.799 -22.468 -4.744 1.00 25.00 O ATOM 1133 CB LEU A 76 -5.804 -24.823 -3.494 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.326 -26.184 -4.003 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -5.318 -27.186 -2.846 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.270 -26.679 -5.099 1.00 50.00 C ATOM 0 H LEU A 76 -3.728 -23.681 -4.276 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.235 -24.302 -5.540 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.145 -24.467 -2.703 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -6.800 -24.914 -3.062 1.00 25.00 H new ATOM 0 HG LEU A 76 -4.319 -26.087 -4.408 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -4.978 -28.156 -3.207 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -4.645 -26.834 -2.064 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -6.325 -27.283 -2.441 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -5.929 -27.649 -5.462 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -7.278 -26.776 -4.695 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.277 -25.965 -5.923 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.191 -21.772 -3.422 1.00 25.00 N ATOM 1149 CA LEU A 77 -6.983 -20.581 -3.005 1.00 25.00 C ATOM 1150 C LEU A 77 -7.288 -19.713 -4.227 1.00 25.00 C ATOM 1151 O LEU A 77 -8.353 -19.141 -4.344 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.183 -19.765 -1.988 1.00 25.00 C ATOM 1153 CG LEU A 77 -5.890 -20.629 -0.759 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -5.356 -19.745 0.370 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -7.176 -21.320 -0.301 1.00 50.00 C ATOM 0 H LEU A 77 -5.268 -21.850 -2.995 1.00 25.00 H new ATOM 0 HA LEU A 77 -7.918 -20.911 -2.552 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.250 -19.421 -2.435 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -6.744 -18.877 -1.696 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.145 -21.382 -1.015 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -5.147 -20.360 1.246 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -4.439 -19.253 0.045 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -6.101 -18.991 0.625 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -6.967 -21.935 0.574 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -7.922 -20.568 -0.046 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -7.557 -21.950 -1.105 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.362 -19.611 -5.137 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.599 -18.780 -6.352 1.00 25.00 C ATOM 1169 C LYS A 78 -7.770 -19.361 -7.145 1.00 25.00 C ATOM 1170 O LYS A 78 -8.427 -18.669 -7.899 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.343 -18.781 -7.224 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.188 -18.132 -6.461 1.00 25.00 C ATOM 1173 CD LYS A 78 -3.061 -17.788 -7.437 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.534 -19.072 -8.082 1.00 50.00 C ATOM 1175 NZ LYS A 78 -2.046 -18.773 -9.458 1.00 50.00 N ATOM 0 H LYS A 78 -5.450 -20.067 -5.094 1.00 25.00 H new ATOM 0 HA LYS A 78 -6.833 -17.758 -6.053 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.081 -19.802 -7.501 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.531 -18.238 -8.150 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.533 -17.230 -5.955 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -3.821 -18.809 -5.690 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.426 -17.106 -8.205 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.255 -17.275 -6.912 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -1.726 -19.489 -7.481 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -3.323 -19.823 -8.120 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -1.688 -19.645 -9.897 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -2.828 -18.394 -10.029 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.281 -18.070 -9.410 1.00 50.00 H new ATOM 1189 N ASP A 79 -8.038 -20.627 -6.984 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.166 -21.251 -7.731 1.00 25.00 C ATOM 1191 C ASP A 79 -10.490 -20.879 -7.062 1.00 25.00 C ATOM 1192 O ASP A 79 -11.491 -20.671 -7.717 1.00 25.00 O ATOM 1193 CB ASP A 79 -9.000 -22.773 -7.726 1.00 25.00 C ATOM 1194 CG ASP A 79 -10.149 -23.414 -8.506 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -10.856 -22.688 -9.186 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -10.302 -24.621 -8.410 1.00 50.00 O ATOM 0 H ASP A 79 -7.525 -21.257 -6.367 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.166 -20.889 -8.759 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.045 -23.047 -8.174 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -8.990 -23.145 -6.701 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.501 -20.796 -5.762 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.759 -20.438 -5.048 1.00 25.00 C ATOM 1203 C VAL A 80 -11.923 -18.917 -5.029 1.00 25.00 C ATOM 1204 O VAL A 80 -13.023 -18.401 -5.005 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.695 -20.961 -3.611 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -13.093 -20.924 -2.991 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -11.177 -22.400 -3.615 1.00 50.00 C ATOM 0 H VAL A 80 -9.693 -20.961 -5.162 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.608 -20.887 -5.563 1.00 25.00 H new ATOM 0 HB VAL A 80 -11.022 -20.334 -3.026 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -13.047 -21.297 -1.968 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -13.463 -19.899 -2.988 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -13.767 -21.551 -3.575 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -11.131 -22.773 -2.592 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -11.850 -23.027 -4.200 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -10.181 -22.427 -4.056 1.00 50.00 H new ATOM 1217 N ALA A 81 -10.837 -18.195 -5.038 1.00 25.00 N ATOM 1218 CA ALA A 81 -10.931 -16.708 -5.019 1.00 25.00 C ATOM 1219 C ALA A 81 -11.673 -16.225 -6.265 1.00 25.00 C ATOM 1220 O ALA A 81 -12.133 -15.103 -6.328 1.00 25.00 O ATOM 1221 CB ALA A 81 -9.524 -16.109 -5.000 1.00 50.00 C ATOM 0 H ALA A 81 -9.889 -18.570 -5.058 1.00 25.00 H new ATOM 0 HA ALA A 81 -11.474 -16.391 -4.129 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -9.592 -15.021 -4.986 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -8.995 -16.451 -4.110 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -8.981 -16.427 -5.890 1.00 50.00 H new ATOM 1227 N LYS A 82 -11.798 -17.064 -7.257 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.515 -16.649 -8.495 1.00 25.00 C ATOM 1229 C LYS A 82 -13.972 -17.101 -8.408 1.00 25.00 C ATOM 1230 O LYS A 82 -14.863 -16.473 -8.943 1.00 25.00 O ATOM 1231 CB LYS A 82 -11.851 -17.294 -9.712 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.378 -16.882 -9.769 1.00 25.00 C ATOM 1233 CD LYS A 82 -9.853 -17.061 -11.194 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.370 -16.687 -11.242 1.00 50.00 C ATOM 1235 NZ LYS A 82 -8.226 -15.288 -11.737 1.00 50.00 N ATOM 0 H LYS A 82 -11.435 -18.017 -7.263 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.474 -15.564 -8.595 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -11.934 -18.379 -9.652 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.361 -16.985 -10.624 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.268 -15.843 -9.457 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -9.793 -17.487 -9.076 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -9.989 -18.093 -11.516 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.419 -16.435 -11.883 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -7.928 -16.780 -10.250 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -7.832 -17.373 -11.896 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -7.218 -15.033 -11.770 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -8.633 -15.214 -12.691 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -8.726 -14.640 -11.096 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.220 -18.188 -7.732 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.617 -18.685 -7.604 1.00 25.00 C ATOM 1251 C ILE A 83 -16.479 -17.608 -6.944 1.00 25.00 C ATOM 1252 O ILE A 83 -17.634 -17.433 -7.275 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.630 -19.949 -6.742 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.854 -21.060 -7.455 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.078 -20.390 -6.516 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -15.177 -22.412 -6.813 1.00 50.00 C ATOM 0 H ILE A 83 -13.514 -18.754 -7.262 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.015 -18.916 -8.592 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.160 -19.744 -5.780 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -15.116 -21.078 -8.513 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.783 -20.865 -7.395 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -17.092 -21.291 -5.902 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.625 -19.596 -6.008 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.549 -20.598 -7.477 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -14.622 -23.199 -7.324 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.893 -22.392 -5.761 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -16.246 -22.608 -6.897 1.00 50.00 H new ATOM 1268 N PHE A 84 -15.922 -16.887 -6.014 1.00 25.00 N ATOM 1269 CA PHE A 84 -16.702 -15.819 -5.328 1.00 25.00 C ATOM 1270 C PHE A 84 -16.446 -14.477 -6.017 1.00 25.00 C ATOM 1271 O PHE A 84 -15.394 -13.905 -5.783 1.00 25.00 O ATOM 1272 CB PHE A 84 -16.267 -15.731 -3.865 1.00 50.00 C ATOM 1273 CG PHE A 84 -16.583 -17.032 -3.167 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -15.658 -18.084 -3.194 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -17.799 -17.186 -2.493 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -15.953 -19.290 -2.545 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.094 -18.391 -1.845 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.170 -19.443 -1.871 1.00 50.00 C ATOM 1279 OXT PHE A 84 -17.306 -14.044 -6.767 1.00 99.99 O ATOM 0 H PHE A 84 -14.958 -16.990 -5.698 1.00 25.00 H new ATOM 0 HA PHE A 84 -17.765 -16.056 -5.378 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.199 -15.523 -3.804 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -16.781 -14.907 -3.371 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -14.719 -17.965 -3.714 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -18.511 -16.374 -2.473 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.241 -20.102 -2.565 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.033 -18.509 -1.325 1.00 50.00 H new ATOM 0 HZ PHE A 84 -17.397 -20.373 -1.371 1.00 50.00 H new