USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 LYS NZ :NH3+ -179:sc= 0.863 (180deg=0) USER MOD Set 1.2: A 81 THR OG1 : rot 84:sc= 2.08 USER MOD Set 1.3: A 84 ASN : amide:sc= -2.96! C(o=-0.017!,f=-3.9!) USER MOD Single : A 6 THR OG1 : rot 23:sc= 0.252 USER MOD Single : A 8 GLN : amide:sc= 0.151 X(o=0.15,f=-0.055) USER MOD Single : A 15 GLN : amide:sc= 0.378 K(o=0.38,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.866 X(o=-0.87,f=-1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0051 X(o=-0.0051,f=0) USER MOD Single : A 29 TYR OH : rot 0:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.00726 X(o=-0.0073,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 91:sc= 0.927 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 30:sc= 1.09 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc=-0.00285 K(o=-0.0028,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 9.892 -6.362 1.550 1.00 0.00 N ATOM 83 CA THR A 6 9.571 -7.103 2.767 1.00 0.00 C ATOM 84 C THR A 6 10.677 -8.124 3.031 1.00 0.00 C ATOM 85 O THR A 6 11.571 -8.286 2.204 1.00 0.00 O ATOM 86 CB THR A 6 8.201 -7.773 2.594 1.00 0.00 C ATOM 87 OG1 THR A 6 7.250 -6.817 2.169 1.00 0.00 O ATOM 88 CG2 THR A 6 7.688 -8.384 3.895 1.00 0.00 C ATOM 0 HA THR A 6 9.514 -6.438 3.628 1.00 0.00 H new ATOM 0 HB THR A 6 8.330 -8.564 1.856 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.710 -6.070 1.733 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.716 -8.846 3.722 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.392 -9.140 4.244 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.589 -7.604 4.649 1.00 0.00 H new ATOM 96 N ASP A 7 10.630 -8.820 4.172 1.00 0.00 N ATOM 97 CA ASP A 7 11.647 -9.801 4.539 1.00 0.00 C ATOM 98 C ASP A 7 11.813 -10.880 3.468 1.00 0.00 C ATOM 99 O ASP A 7 12.826 -11.581 3.454 1.00 0.00 O ATOM 100 CB ASP A 7 11.294 -10.430 5.885 1.00 0.00 C ATOM 101 CG ASP A 7 9.990 -11.222 5.837 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.045 -12.402 5.428 1.00 0.00 O ATOM 103 OD2 ASP A 7 8.949 -10.633 6.209 1.00 0.00 O ATOM 0 H ASP A 7 9.887 -8.717 4.863 1.00 0.00 H new ATOM 0 HA ASP A 7 12.602 -9.282 4.621 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.104 -11.089 6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.212 -9.646 6.638 1.00 0.00 H new ATOM 108 N GLN A 8 10.834 -11.026 2.570 1.00 0.00 N ATOM 109 CA GLN A 8 10.921 -11.978 1.477 1.00 0.00 C ATOM 110 C GLN A 8 12.088 -11.609 0.561 1.00 0.00 C ATOM 111 O GLN A 8 12.949 -12.439 0.282 1.00 0.00 O ATOM 112 CB GLN A 8 9.600 -11.963 0.701 1.00 0.00 C ATOM 113 CG GLN A 8 9.650 -12.839 -0.555 1.00 0.00 C ATOM 114 CD GLN A 8 9.885 -14.304 -0.212 1.00 0.00 C ATOM 115 OE1 GLN A 8 8.937 -15.079 -0.111 1.00 0.00 O ATOM 116 NE2 GLN A 8 11.142 -14.695 -0.030 1.00 0.00 N ATOM 0 H GLN A 8 9.968 -10.488 2.586 1.00 0.00 H new ATOM 0 HA GLN A 8 11.097 -12.981 1.867 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.796 -12.310 1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.360 -10.938 0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.714 -12.740 -1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.445 -12.487 -1.212 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.904 -14.023 -0.122 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.345 -15.667 0.202 1.00 0.00 H new ATOM 125 N VAL A 9 12.109 -10.360 0.094 1.00 0.00 N ATOM 126 CA VAL A 9 13.118 -9.875 -0.842 1.00 0.00 C ATOM 127 C VAL A 9 14.362 -9.389 -0.099 1.00 0.00 C ATOM 128 O VAL A 9 15.458 -9.412 -0.660 1.00 0.00 O ATOM 129 CB VAL A 9 12.499 -8.786 -1.728 1.00 0.00 C ATOM 130 CG1 VAL A 9 11.765 -7.738 -0.891 1.00 0.00 C ATOM 131 CG2 VAL A 9 13.554 -8.079 -2.577 1.00 0.00 C ATOM 0 H VAL A 9 11.421 -9.654 0.357 1.00 0.00 H new ATOM 0 HA VAL A 9 13.447 -10.690 -1.487 1.00 0.00 H new ATOM 0 HB VAL A 9 11.791 -9.292 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.338 -6.981 -1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.967 -8.218 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.466 -7.267 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.076 -7.315 -3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.292 -7.611 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.048 -8.805 -3.222 1.00 0.00 H new ATOM 141 N LEU A 10 14.213 -8.957 1.153 1.00 0.00 N ATOM 142 CA LEU A 10 15.342 -8.510 1.951 1.00 0.00 C ATOM 143 C LEU A 10 16.227 -9.685 2.350 1.00 0.00 C ATOM 144 O LEU A 10 17.428 -9.494 2.532 1.00 0.00 O ATOM 145 CB LEU A 10 14.835 -7.767 3.187 1.00 0.00 C ATOM 146 CG LEU A 10 14.798 -6.254 2.967 1.00 0.00 C ATOM 147 CD1 LEU A 10 13.968 -5.859 1.751 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.204 -5.576 4.202 1.00 0.00 C ATOM 0 H LEU A 10 13.315 -8.909 1.634 1.00 0.00 H new ATOM 0 HA LEU A 10 15.948 -7.830 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.836 -8.122 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.478 -7.995 4.037 1.00 0.00 H new ATOM 0 HG LEU A 10 15.824 -5.930 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 10 13.976 -4.775 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.392 -6.317 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 10 12.942 -6.203 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.177 -4.497 4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.192 -5.944 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.820 -5.802 5.073 1.00 0.00 H new ATOM 160 N VAL A 11 15.673 -10.892 2.486 1.00 0.00 N ATOM 161 CA VAL A 11 16.498 -12.057 2.791 1.00 0.00 C ATOM 162 C VAL A 11 17.119 -12.604 1.512 1.00 0.00 C ATOM 163 O VAL A 11 18.216 -13.158 1.550 1.00 0.00 O ATOM 164 CB VAL A 11 15.692 -13.120 3.537 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.490 -14.416 3.667 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.391 -12.617 4.949 1.00 0.00 C ATOM 0 H VAL A 11 14.676 -11.084 2.392 1.00 0.00 H new ATOM 0 HA VAL A 11 17.308 -11.754 3.454 1.00 0.00 H new ATOM 0 HB VAL A 11 14.776 -13.309 2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.896 -15.157 4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 11 16.734 -14.794 2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.410 -14.223 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.816 -13.370 5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.327 -12.429 5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.815 -11.693 4.891 1.00 0.00 H new ATOM 176 N GLU A 12 16.444 -12.464 0.367 1.00 0.00 N ATOM 177 CA GLU A 12 17.041 -12.901 -0.882 1.00 0.00 C ATOM 178 C GLU A 12 18.227 -12.005 -1.230 1.00 0.00 C ATOM 179 O GLU A 12 19.261 -12.500 -1.673 1.00 0.00 O ATOM 180 CB GLU A 12 16.007 -12.849 -2.005 1.00 0.00 C ATOM 181 CG GLU A 12 14.969 -13.961 -1.845 1.00 0.00 C ATOM 182 CD GLU A 12 13.955 -13.930 -2.985 1.00 0.00 C ATOM 183 OE1 GLU A 12 12.998 -13.129 -2.892 1.00 0.00 O ATOM 184 OE2 GLU A 12 14.143 -14.711 -3.944 1.00 0.00 O ATOM 0 H GLU A 12 15.510 -12.062 0.286 1.00 0.00 H new ATOM 0 HA GLU A 12 17.388 -13.928 -0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.510 -11.879 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.506 -12.948 -2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.469 -14.930 -1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.453 -13.848 -0.891 1.00 0.00 H new ATOM 191 N ARG A 13 18.089 -10.687 -1.031 1.00 0.00 N ATOM 192 CA ARG A 13 19.100 -9.720 -1.435 1.00 0.00 C ATOM 193 C ARG A 13 20.367 -9.813 -0.591 1.00 0.00 C ATOM 194 O ARG A 13 21.461 -9.621 -1.116 1.00 0.00 O ATOM 195 CB ARG A 13 18.478 -8.324 -1.379 1.00 0.00 C ATOM 196 CG ARG A 13 19.464 -7.278 -1.892 1.00 0.00 C ATOM 197 CD ARG A 13 18.758 -5.953 -2.167 1.00 0.00 C ATOM 198 NE ARG A 13 19.661 -5.021 -2.844 1.00 0.00 N ATOM 199 CZ ARG A 13 19.311 -3.805 -3.274 1.00 0.00 C ATOM 200 NH1 ARG A 13 18.089 -3.325 -3.055 1.00 0.00 N ATOM 201 NH2 ARG A 13 20.198 -3.068 -3.931 1.00 0.00 N ATOM 0 H ARG A 13 17.272 -10.269 -0.586 1.00 0.00 H new ATOM 0 HA ARG A 13 19.418 -9.941 -2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.569 -8.300 -1.979 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.190 -8.089 -0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.255 -7.127 -1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.940 -7.637 -2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.876 -6.126 -2.783 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.412 -5.517 -1.230 1.00 0.00 H new ATOM 0 HE ARG A 13 20.624 -5.320 -2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.403 -3.887 -2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.839 -2.395 -3.390 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.136 -3.431 -4.103 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.942 -2.138 -4.264 1.00 0.00 H new ATOM 215 N VAL A 14 20.250 -10.110 0.704 1.00 0.00 N ATOM 216 CA VAL A 14 21.438 -10.283 1.534 1.00 0.00 C ATOM 217 C VAL A 14 22.156 -11.580 1.173 1.00 0.00 C ATOM 218 O VAL A 14 23.349 -11.710 1.438 1.00 0.00 O ATOM 219 CB VAL A 14 21.081 -10.244 3.020 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.467 -8.897 3.372 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.106 -11.344 3.406 1.00 0.00 C ATOM 0 H VAL A 14 19.363 -10.233 1.191 1.00 0.00 H new ATOM 0 HA VAL A 14 22.116 -9.453 1.338 1.00 0.00 H new ATOM 0 HB VAL A 14 22.006 -10.399 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.216 -8.878 4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.182 -8.103 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.563 -8.744 2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 14 19.883 -11.275 4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.185 -11.231 2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.550 -12.316 3.190 1.00 0.00 H new ATOM 231 N GLN A 15 21.448 -12.538 0.568 1.00 0.00 N ATOM 232 CA GLN A 15 22.065 -13.755 0.069 1.00 0.00 C ATOM 233 C GLN A 15 22.726 -13.500 -1.289 1.00 0.00 C ATOM 234 O GLN A 15 23.526 -14.316 -1.745 1.00 0.00 O ATOM 235 CB GLN A 15 21.027 -14.878 -0.007 1.00 0.00 C ATOM 236 CG GLN A 15 20.533 -15.290 1.387 1.00 0.00 C ATOM 237 CD GLN A 15 19.432 -16.347 1.308 1.00 0.00 C ATOM 238 OE1 GLN A 15 18.972 -16.701 0.225 1.00 0.00 O ATOM 239 NE2 GLN A 15 18.992 -16.864 2.454 1.00 0.00 N ATOM 0 H GLN A 15 20.441 -12.487 0.415 1.00 0.00 H new ATOM 0 HA GLN A 15 22.847 -14.070 0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.181 -14.551 -0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.462 -15.742 -0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.369 -15.678 1.969 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.158 -14.413 1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.390 -16.553 3.340 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.257 -17.571 2.446 1.00 0.00 H new ATOM 248 N LYS A 16 22.405 -12.373 -1.947 1.00 0.00 N ATOM 249 CA LYS A 16 23.092 -11.945 -3.161 1.00 0.00 C ATOM 250 C LYS A 16 24.417 -11.257 -2.825 1.00 0.00 C ATOM 251 O LYS A 16 25.202 -10.960 -3.724 1.00 0.00 O ATOM 252 CB LYS A 16 22.210 -10.996 -3.981 1.00 0.00 C ATOM 253 CG LYS A 16 20.849 -11.575 -4.374 1.00 0.00 C ATOM 254 CD LYS A 16 20.949 -12.960 -5.021 1.00 0.00 C ATOM 255 CE LYS A 16 19.543 -13.440 -5.371 1.00 0.00 C ATOM 256 NZ LYS A 16 19.579 -14.784 -5.981 1.00 0.00 N ATOM 0 H LYS A 16 21.663 -11.740 -1.647 1.00 0.00 H new ATOM 0 HA LYS A 16 23.299 -12.835 -3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 16 22.050 -10.083 -3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.746 -10.714 -4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.219 -11.640 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 16 20.356 -10.892 -5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 16 21.567 -12.914 -5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 16 21.429 -13.662 -4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.928 -13.461 -4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.076 -12.736 -6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.611 -15.087 -6.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 20.147 -14.755 -6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.004 -15.458 -5.312 1.00 0.00 H new ATOM 270 N GLY A 17 24.664 -11.003 -1.535 1.00 0.00 N ATOM 271 CA GLY A 17 25.888 -10.376 -1.061 1.00 0.00 C ATOM 272 C GLY A 17 25.694 -8.909 -0.682 1.00 0.00 C ATOM 273 O GLY A 17 26.659 -8.245 -0.307 1.00 0.00 O ATOM 0 H GLY A 17 24.008 -11.232 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.260 -10.924 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.651 -10.448 -1.836 1.00 0.00 H new ATOM 277 N ASP A 18 24.466 -8.395 -0.772 1.00 0.00 N ATOM 278 CA ASP A 18 24.156 -7.020 -0.408 1.00 0.00 C ATOM 279 C ASP A 18 23.883 -6.939 1.091 1.00 0.00 C ATOM 280 O ASP A 18 22.732 -6.978 1.521 1.00 0.00 O ATOM 281 CB ASP A 18 22.957 -6.538 -1.227 1.00 0.00 C ATOM 282 CG ASP A 18 23.327 -6.076 -2.638 1.00 0.00 C ATOM 283 OD1 ASP A 18 24.454 -6.380 -3.084 1.00 0.00 O ATOM 284 OD2 ASP A 18 22.464 -5.413 -3.257 1.00 0.00 O ATOM 0 H ASP A 18 23.659 -8.926 -1.101 1.00 0.00 H new ATOM 0 HA ASP A 18 25.002 -6.370 -0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.227 -7.345 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.474 -5.716 -0.699 1.00 0.00 H new ATOM 289 N GLN A 19 24.945 -6.819 1.894 1.00 0.00 N ATOM 290 CA GLN A 19 24.833 -6.732 3.343 1.00 0.00 C ATOM 291 C GLN A 19 24.084 -5.460 3.745 1.00 0.00 C ATOM 292 O GLN A 19 23.540 -5.374 4.842 1.00 0.00 O ATOM 293 CB GLN A 19 26.253 -6.788 3.924 1.00 0.00 C ATOM 294 CG GLN A 19 26.309 -7.059 5.432 1.00 0.00 C ATOM 295 CD GLN A 19 26.001 -5.834 6.286 1.00 0.00 C ATOM 296 OE1 GLN A 19 25.101 -5.862 7.124 1.00 0.00 O ATOM 297 NE2 GLN A 19 26.738 -4.745 6.087 1.00 0.00 N ATOM 0 H GLN A 19 25.905 -6.780 1.552 1.00 0.00 H new ATOM 0 HA GLN A 19 24.253 -7.564 3.744 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.814 -7.566 3.406 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.755 -5.842 3.718 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.600 -7.849 5.677 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.301 -7.430 5.689 1.00 0.00 H new ATOM 0 HE21 GLN A 19 27.478 -4.751 5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.563 -3.904 6.637 1.00 0.00 H new ATOM 306 N LYS A 20 24.048 -4.461 2.856 1.00 0.00 N ATOM 307 CA LYS A 20 23.322 -3.225 3.087 1.00 0.00 C ATOM 308 C LYS A 20 21.826 -3.485 3.255 1.00 0.00 C ATOM 309 O LYS A 20 21.131 -2.690 3.886 1.00 0.00 O ATOM 310 CB LYS A 20 23.592 -2.282 1.909 1.00 0.00 C ATOM 311 CG LYS A 20 23.137 -2.902 0.584 1.00 0.00 C ATOM 312 CD LYS A 20 23.582 -2.025 -0.584 1.00 0.00 C ATOM 313 CE LYS A 20 23.148 -2.654 -1.904 1.00 0.00 C ATOM 314 NZ LYS A 20 23.630 -1.865 -3.053 1.00 0.00 N ATOM 0 H LYS A 20 24.526 -4.495 1.956 1.00 0.00 H new ATOM 0 HA LYS A 20 23.665 -2.765 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.071 -1.338 2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.657 -2.054 1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.556 -3.903 0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 20 22.052 -3.009 0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 20 23.150 -1.029 -0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.665 -1.905 -0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 20 23.534 -3.671 -1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 20 22.061 -2.723 -1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 23.321 -2.316 -3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 23.241 -0.902 -3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 24.669 -1.820 -3.032 1.00 0.00 H new ATOM 328 N ALA A 21 21.322 -4.592 2.699 1.00 0.00 N ATOM 329 CA ALA A 21 19.920 -4.938 2.840 1.00 0.00 C ATOM 330 C ALA A 21 19.668 -5.633 4.175 1.00 0.00 C ATOM 331 O ALA A 21 18.528 -5.686 4.630 1.00 0.00 O ATOM 332 CB ALA A 21 19.486 -5.814 1.667 1.00 0.00 C ATOM 0 H ALA A 21 21.869 -5.256 2.151 1.00 0.00 H new ATOM 0 HA ALA A 21 19.324 -4.026 2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.433 -6.072 1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.632 -5.270 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.083 -6.726 1.653 1.00 0.00 H new ATOM 338 N PHE A 22 20.720 -6.162 4.811 1.00 0.00 N ATOM 339 CA PHE A 22 20.584 -6.792 6.114 1.00 0.00 C ATOM 340 C PHE A 22 20.484 -5.710 7.183 1.00 0.00 C ATOM 341 O PHE A 22 19.762 -5.870 8.160 1.00 0.00 O ATOM 342 CB PHE A 22 21.769 -7.721 6.378 1.00 0.00 C ATOM 343 CG PHE A 22 21.633 -8.470 7.681 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.624 -9.432 7.828 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.506 -8.200 8.743 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.492 -10.127 9.035 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.367 -8.890 9.957 1.00 0.00 C ATOM 348 CZ PHE A 22 21.362 -9.858 10.101 1.00 0.00 C ATOM 0 H PHE A 22 21.670 -6.163 4.439 1.00 0.00 H new ATOM 0 HA PHE A 22 19.677 -7.397 6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 22 21.857 -8.435 5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.689 -7.137 6.392 1.00 0.00 H new ATOM 0 HD1 PHE A 22 19.949 -9.636 7.010 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.285 -7.461 8.627 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.718 -10.872 9.146 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.033 -8.676 10.780 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.259 -10.395 11.032 1.00 0.00 H new ATOM 358 N ASN A 23 21.202 -4.603 7.002 1.00 0.00 N ATOM 359 CA ASN A 23 21.140 -3.480 7.922 1.00 0.00 C ATOM 360 C ASN A 23 19.727 -2.902 7.939 1.00 0.00 C ATOM 361 O ASN A 23 19.205 -2.553 8.996 1.00 0.00 O ATOM 362 CB ASN A 23 22.148 -2.436 7.445 1.00 0.00 C ATOM 363 CG ASN A 23 21.922 -1.079 8.088 1.00 0.00 C ATOM 364 OD1 ASN A 23 22.319 -0.844 9.225 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.277 -0.181 7.354 1.00 0.00 N ATOM 0 H ASN A 23 21.838 -4.464 6.217 1.00 0.00 H new ATOM 0 HA ASN A 23 21.382 -3.794 8.937 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.157 -2.779 7.672 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.080 -2.338 6.362 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.093 0.749 7.731 1.00 0.00 H new ATOM 0 HD22 ASN A 23 20.965 -0.421 6.413 1.00 0.00 H new ATOM 372 N LEU A 24 19.113 -2.808 6.756 1.00 0.00 N ATOM 373 CA LEU A 24 17.749 -2.322 6.627 1.00 0.00 C ATOM 374 C LEU A 24 16.739 -3.380 7.080 1.00 0.00 C ATOM 375 O LEU A 24 15.590 -3.054 7.374 1.00 0.00 O ATOM 376 CB LEU A 24 17.499 -1.942 5.166 1.00 0.00 C ATOM 377 CG LEU A 24 18.420 -0.812 4.691 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.209 -0.600 3.195 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.125 0.493 5.432 1.00 0.00 C ATOM 0 H LEU A 24 19.549 -3.066 5.871 1.00 0.00 H new ATOM 0 HA LEU A 24 17.620 -1.449 7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.648 -2.818 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.460 -1.635 5.046 1.00 0.00 H new ATOM 0 HG LEU A 24 19.452 -1.095 4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 24 18.859 0.202 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.447 -1.519 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.169 -0.331 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.794 1.275 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.092 0.789 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.278 0.347 6.501 1.00 0.00 H new ATOM 391 N LEU A 25 17.155 -4.648 7.139 1.00 0.00 N ATOM 392 CA LEU A 25 16.297 -5.730 7.595 1.00 0.00 C ATOM 393 C LEU A 25 16.293 -5.838 9.118 1.00 0.00 C ATOM 394 O LEU A 25 15.225 -5.946 9.717 1.00 0.00 O ATOM 395 CB LEU A 25 16.748 -7.033 6.929 1.00 0.00 C ATOM 396 CG LEU A 25 15.941 -8.252 7.390 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.455 -8.111 7.067 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.478 -9.489 6.675 1.00 0.00 C ATOM 0 H LEU A 25 18.093 -4.946 6.872 1.00 0.00 H new ATOM 0 HA LEU A 25 15.267 -5.523 7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.657 -6.932 5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.803 -7.199 7.146 1.00 0.00 H new ATOM 0 HG LEU A 25 16.045 -8.337 8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 25 13.922 -8.997 7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.056 -7.230 7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.325 -8.005 5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.914 -10.366 6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.374 -9.361 5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.530 -9.625 6.924 1.00 0.00 H new ATOM 410 N VAL A 26 17.462 -5.804 9.765 1.00 0.00 N ATOM 411 CA VAL A 26 17.501 -5.990 11.208 1.00 0.00 C ATOM 412 C VAL A 26 16.849 -4.826 11.933 1.00 0.00 C ATOM 413 O VAL A 26 16.380 -5.017 13.045 1.00 0.00 O ATOM 414 CB VAL A 26 18.925 -6.195 11.740 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.599 -7.382 11.068 1.00 0.00 C ATOM 416 CG2 VAL A 26 19.778 -4.934 11.590 1.00 0.00 C ATOM 0 H VAL A 26 18.368 -5.653 9.322 1.00 0.00 H new ATOM 0 HA VAL A 26 16.936 -6.900 11.408 1.00 0.00 H new ATOM 0 HB VAL A 26 18.838 -6.409 12.805 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.607 -7.502 11.466 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.022 -8.286 11.263 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.652 -7.210 9.993 1.00 0.00 H new ATOM 0 HG21 VAL A 26 20.778 -5.123 11.979 1.00 0.00 H new ATOM 0 HG22 VAL A 26 19.844 -4.662 10.536 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.320 -4.117 12.148 1.00 0.00 H new ATOM 426 N VAL A 27 16.803 -3.627 11.340 1.00 0.00 N ATOM 427 CA VAL A 27 16.224 -2.484 12.038 1.00 0.00 C ATOM 428 C VAL A 27 14.705 -2.631 12.160 1.00 0.00 C ATOM 429 O VAL A 27 14.109 -2.082 13.087 1.00 0.00 O ATOM 430 CB VAL A 27 16.645 -1.175 11.353 1.00 0.00 C ATOM 431 CG1 VAL A 27 16.065 -1.064 9.945 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.202 0.031 12.175 1.00 0.00 C ATOM 0 H VAL A 27 17.151 -3.430 10.402 1.00 0.00 H new ATOM 0 HA VAL A 27 16.611 -2.451 13.056 1.00 0.00 H new ATOM 0 HB VAL A 27 17.733 -1.188 11.281 1.00 0.00 H new ATOM 0 HG11 VAL A 27 16.385 -0.125 9.493 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.419 -1.898 9.339 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.977 -1.090 9.997 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.510 0.947 11.672 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.117 0.022 12.279 1.00 0.00 H new ATOM 0 HG23 VAL A 27 16.662 -0.013 13.162 1.00 0.00 H new ATOM 442 N ARG A 28 14.067 -3.369 11.241 1.00 0.00 N ATOM 443 CA ARG A 28 12.635 -3.638 11.331 1.00 0.00 C ATOM 444 C ARG A 28 12.365 -4.556 12.516 1.00 0.00 C ATOM 445 O ARG A 28 11.317 -4.472 13.154 1.00 0.00 O ATOM 446 CB ARG A 28 12.149 -4.320 10.047 1.00 0.00 C ATOM 447 CG ARG A 28 12.596 -3.577 8.788 1.00 0.00 C ATOM 448 CD ARG A 28 12.065 -4.262 7.525 1.00 0.00 C ATOM 449 NE ARG A 28 10.608 -4.130 7.402 1.00 0.00 N ATOM 450 CZ ARG A 28 9.952 -4.081 6.238 1.00 0.00 C ATOM 451 NH1 ARG A 28 10.604 -4.139 5.079 1.00 0.00 N ATOM 452 NH2 ARG A 28 8.627 -3.970 6.227 1.00 0.00 N ATOM 0 H ARG A 28 14.524 -3.787 10.430 1.00 0.00 H new ATOM 0 HA ARG A 28 12.104 -2.695 11.463 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.527 -5.342 10.016 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.061 -4.383 10.062 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.240 -2.547 8.824 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.685 -3.537 8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.544 -3.828 6.648 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.333 -5.318 7.545 1.00 0.00 H new ATOM 0 HE ARG A 28 10.060 -4.072 8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.621 -4.222 5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.087 -4.100 4.201 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.112 -3.922 7.106 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.126 -3.933 5.339 1.00 0.00 H new ATOM 466 N TYR A 29 13.323 -5.437 12.804 1.00 0.00 N ATOM 467 CA TYR A 29 13.202 -6.409 13.878 1.00 0.00 C ATOM 468 C TYR A 29 13.960 -5.991 15.135 1.00 0.00 C ATOM 469 O TYR A 29 13.815 -6.633 16.169 1.00 0.00 O ATOM 470 CB TYR A 29 13.661 -7.769 13.361 1.00 0.00 C ATOM 471 CG TYR A 29 12.720 -8.343 12.325 1.00 0.00 C ATOM 472 CD1 TYR A 29 12.808 -7.933 10.989 1.00 0.00 C ATOM 473 CD2 TYR A 29 11.749 -9.279 12.708 1.00 0.00 C ATOM 474 CE1 TYR A 29 11.914 -8.433 10.032 1.00 0.00 C ATOM 475 CE2 TYR A 29 10.859 -9.799 11.758 1.00 0.00 C ATOM 476 CZ TYR A 29 10.936 -9.373 10.417 1.00 0.00 C ATOM 477 OH TYR A 29 10.062 -9.870 9.493 1.00 0.00 O ATOM 0 H TYR A 29 14.205 -5.493 12.295 1.00 0.00 H new ATOM 0 HA TYR A 29 12.156 -6.470 14.180 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.657 -7.672 12.929 1.00 0.00 H new ATOM 0 HB3 TYR A 29 13.743 -8.463 14.197 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.570 -7.227 10.694 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.687 -9.600 13.737 1.00 0.00 H new ATOM 0 HE1 TYR A 29 11.974 -8.100 9.006 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.116 -10.525 12.053 1.00 0.00 H new ATOM 0 HH TYR A 29 10.252 -9.474 8.617 1.00 0.00 H new ATOM 487 N GLN A 30 14.763 -4.929 15.068 1.00 0.00 N ATOM 488 CA GLN A 30 15.576 -4.478 16.191 1.00 0.00 C ATOM 489 C GLN A 30 14.694 -4.049 17.359 1.00 0.00 C ATOM 490 O GLN A 30 15.110 -4.138 18.514 1.00 0.00 O ATOM 491 CB GLN A 30 16.471 -3.339 15.709 1.00 0.00 C ATOM 492 CG GLN A 30 17.480 -2.897 16.767 1.00 0.00 C ATOM 493 CD GLN A 30 18.430 -1.858 16.184 1.00 0.00 C ATOM 494 OE1 GLN A 30 18.430 -0.699 16.591 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.249 -2.269 15.218 1.00 0.00 N ATOM 0 H GLN A 30 14.866 -4.357 14.230 1.00 0.00 H new ATOM 0 HA GLN A 30 16.201 -5.294 16.555 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.005 -3.656 14.813 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.850 -2.489 15.427 1.00 0.00 H new ATOM 0 HG2 GLN A 30 16.957 -2.480 17.628 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.045 -3.758 17.124 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.222 -3.239 14.905 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.904 -1.614 14.791 1.00 0.00 H new ATOM 504 N HIS A 31 13.471 -3.591 17.066 1.00 0.00 N ATOM 505 CA HIS A 31 12.507 -3.263 18.104 1.00 0.00 C ATOM 506 C HIS A 31 11.728 -4.509 18.524 1.00 0.00 C ATOM 507 O HIS A 31 11.307 -4.618 19.674 1.00 0.00 O ATOM 508 CB HIS A 31 11.566 -2.178 17.578 1.00 0.00 C ATOM 509 CG HIS A 31 10.592 -1.693 18.621 1.00 0.00 C ATOM 510 ND1 HIS A 31 10.907 -0.835 19.678 1.00 0.00 N ATOM 511 CD2 HIS A 31 9.268 -2.019 18.681 1.00 0.00 C ATOM 512 CE1 HIS A 31 9.757 -0.668 20.350 1.00 0.00 C ATOM 513 NE2 HIS A 31 8.758 -1.364 19.776 1.00 0.00 N ATOM 0 H HIS A 31 13.132 -3.442 16.115 1.00 0.00 H new ATOM 0 HA HIS A 31 13.027 -2.890 18.986 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.156 -1.335 17.219 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.012 -2.567 16.723 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.729 -2.664 18.003 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.648 -0.057 21.234 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.791 -1.399 20.098 1.00 0.00 H new ATOM 521 N LYS A 32 11.536 -5.455 17.598 1.00 0.00 N ATOM 522 CA LYS A 32 10.753 -6.654 17.875 1.00 0.00 C ATOM 523 C LYS A 32 11.527 -7.665 18.718 1.00 0.00 C ATOM 524 O LYS A 32 10.964 -8.237 19.651 1.00 0.00 O ATOM 525 CB LYS A 32 10.305 -7.285 16.555 1.00 0.00 C ATOM 526 CG LYS A 32 9.487 -6.301 15.717 1.00 0.00 C ATOM 527 CD LYS A 32 9.021 -6.987 14.431 1.00 0.00 C ATOM 528 CE LYS A 32 8.227 -5.996 13.584 1.00 0.00 C ATOM 529 NZ LYS A 32 7.761 -6.620 12.333 1.00 0.00 N ATOM 0 H LYS A 32 11.914 -5.409 16.652 1.00 0.00 H new ATOM 0 HA LYS A 32 9.880 -6.360 18.457 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.179 -7.609 15.989 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.710 -8.175 16.759 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.626 -5.950 16.287 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.089 -5.425 15.476 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.881 -7.354 13.870 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.404 -7.853 14.671 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.372 -5.631 14.152 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.849 -5.131 13.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.224 -5.924 11.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.580 -6.946 11.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.149 -7.431 12.556 1.00 0.00 H new ATOM 543 N VAL A 33 12.809 -7.895 18.410 1.00 0.00 N ATOM 544 CA VAL A 33 13.587 -8.886 19.139 1.00 0.00 C ATOM 545 C VAL A 33 14.109 -8.320 20.453 1.00 0.00 C ATOM 546 O VAL A 33 14.351 -9.077 21.388 1.00 0.00 O ATOM 547 CB VAL A 33 14.735 -9.445 18.291 1.00 0.00 C ATOM 548 CG1 VAL A 33 14.218 -9.959 16.948 1.00 0.00 C ATOM 549 CG2 VAL A 33 15.845 -8.419 18.063 1.00 0.00 C ATOM 0 H VAL A 33 13.318 -7.412 17.670 1.00 0.00 H new ATOM 0 HA VAL A 33 12.916 -9.714 19.369 1.00 0.00 H new ATOM 0 HB VAL A 33 15.163 -10.274 18.854 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.050 -10.351 16.364 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.489 -10.751 17.118 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.745 -9.142 16.403 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.634 -8.865 17.457 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.437 -7.551 17.546 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.257 -8.109 19.023 1.00 0.00 H new ATOM 559 N ALA A 34 14.286 -6.997 20.538 1.00 0.00 N ATOM 560 CA ALA A 34 14.723 -6.382 21.780 1.00 0.00 C ATOM 561 C ALA A 34 13.602 -6.444 22.813 1.00 0.00 C ATOM 562 O ALA A 34 13.863 -6.375 24.013 1.00 0.00 O ATOM 563 CB ALA A 34 15.156 -4.941 21.529 1.00 0.00 C ATOM 0 H ALA A 34 14.134 -6.345 19.768 1.00 0.00 H new ATOM 0 HA ALA A 34 15.580 -6.930 22.170 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.481 -4.490 22.467 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.979 -4.928 20.815 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.317 -4.374 21.126 1.00 0.00 H new ATOM 569 N SER A 35 12.352 -6.577 22.357 1.00 0.00 N ATOM 570 CA SER A 35 11.206 -6.656 23.249 1.00 0.00 C ATOM 571 C SER A 35 11.109 -8.038 23.882 1.00 0.00 C ATOM 572 O SER A 35 10.849 -8.162 25.078 1.00 0.00 O ATOM 573 CB SER A 35 9.936 -6.358 22.450 1.00 0.00 C ATOM 574 OG SER A 35 8.819 -6.330 23.316 1.00 0.00 O ATOM 0 H SER A 35 12.114 -6.632 21.367 1.00 0.00 H new ATOM 0 HA SER A 35 11.324 -5.925 24.049 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.034 -5.401 21.938 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.793 -7.118 21.682 1.00 0.00 H new ATOM 0 HG SER A 35 8.009 -6.137 22.799 1.00 0.00 H new ATOM 580 N LEU A 36 11.317 -9.088 23.080 1.00 0.00 N ATOM 581 CA LEU A 36 11.204 -10.451 23.581 1.00 0.00 C ATOM 582 C LEU A 36 12.461 -10.887 24.325 1.00 0.00 C ATOM 583 O LEU A 36 12.386 -11.767 25.179 1.00 0.00 O ATOM 584 CB LEU A 36 10.834 -11.403 22.436 1.00 0.00 C ATOM 585 CG LEU A 36 11.923 -11.578 21.370 1.00 0.00 C ATOM 586 CD1 LEU A 36 12.974 -12.628 21.734 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.263 -12.050 20.076 1.00 0.00 C ATOM 0 H LEU A 36 11.562 -9.016 22.092 1.00 0.00 H new ATOM 0 HA LEU A 36 10.399 -10.487 24.315 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.596 -12.380 22.857 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.929 -11.035 21.954 1.00 0.00 H new ATOM 0 HG LEU A 36 12.421 -10.613 21.276 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.711 -12.697 20.934 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.470 -12.340 22.661 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.491 -13.596 21.867 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.023 -12.180 19.306 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.758 -13.000 20.251 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.536 -11.308 19.746 1.00 0.00 H new ATOM 599 N VAL A 37 13.614 -10.285 24.016 1.00 0.00 N ATOM 600 CA VAL A 37 14.868 -10.666 24.654 1.00 0.00 C ATOM 601 C VAL A 37 15.085 -9.890 25.950 1.00 0.00 C ATOM 602 O VAL A 37 15.882 -10.304 26.789 1.00 0.00 O ATOM 603 CB VAL A 37 16.021 -10.519 23.660 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.448 -9.065 23.527 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.225 -11.345 24.099 1.00 0.00 C ATOM 0 H VAL A 37 13.700 -9.535 23.330 1.00 0.00 H new ATOM 0 HA VAL A 37 14.825 -11.716 24.943 1.00 0.00 H new ATOM 0 HB VAL A 37 15.662 -10.879 22.696 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.269 -8.991 22.814 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.606 -8.469 23.174 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.775 -8.692 24.497 1.00 0.00 H new ATOM 0 HG21 VAL A 37 18.032 -11.224 23.376 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.561 -11.006 25.079 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.944 -12.396 24.156 1.00 0.00 H new ATOM 615 N SER A 38 14.380 -8.766 26.133 1.00 0.00 N ATOM 616 CA SER A 38 14.378 -8.045 27.403 1.00 0.00 C ATOM 617 C SER A 38 13.774 -8.926 28.497 1.00 0.00 C ATOM 618 O SER A 38 13.896 -8.619 29.683 1.00 0.00 O ATOM 619 CB SER A 38 13.530 -6.781 27.258 1.00 0.00 C ATOM 620 OG SER A 38 14.224 -5.783 26.545 1.00 0.00 O ATOM 0 H SER A 38 13.802 -8.338 25.410 1.00 0.00 H new ATOM 0 HA SER A 38 15.401 -7.783 27.672 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.600 -7.021 26.742 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.260 -6.406 28.245 1.00 0.00 H new ATOM 0 HG SER A 38 14.028 -5.868 25.589 1.00 0.00 H new ATOM 626 N ARG A 39 13.118 -10.022 28.096 1.00 0.00 N ATOM 627 CA ARG A 39 12.497 -10.973 29.007 1.00 0.00 C ATOM 628 C ARG A 39 13.470 -12.077 29.425 1.00 0.00 C ATOM 629 O ARG A 39 13.112 -12.916 30.250 1.00 0.00 O ATOM 630 CB ARG A 39 11.246 -11.564 28.351 1.00 0.00 C ATOM 631 CG ARG A 39 10.341 -10.460 27.797 1.00 0.00 C ATOM 632 CD ARG A 39 9.119 -11.067 27.117 1.00 0.00 C ATOM 633 NE ARG A 39 8.330 -10.032 26.437 1.00 0.00 N ATOM 634 CZ ARG A 39 7.155 -10.254 25.844 1.00 0.00 C ATOM 635 NH1 ARG A 39 6.612 -11.469 25.838 1.00 0.00 N ATOM 636 NH2 ARG A 39 6.513 -9.254 25.250 1.00 0.00 N ATOM 0 H ARG A 39 13.006 -10.271 27.113 1.00 0.00 H new ATOM 0 HA ARG A 39 12.211 -10.444 29.916 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.538 -12.238 27.545 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.695 -12.158 29.080 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.025 -9.800 28.605 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.896 -9.849 27.085 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.436 -11.821 26.396 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.500 -11.574 27.857 1.00 0.00 H new ATOM 0 HE ARG A 39 8.704 -9.083 26.417 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.094 -12.245 26.291 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.713 -11.624 25.381 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.918 -8.318 25.247 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.615 -9.422 24.796 1.00 0.00 H new ATOM 650 N TYR A 40 14.686 -12.082 28.865 1.00 0.00 N ATOM 651 CA TYR A 40 15.693 -13.091 29.173 1.00 0.00 C ATOM 652 C TYR A 40 16.984 -12.463 29.701 1.00 0.00 C ATOM 653 O TYR A 40 17.791 -13.168 30.306 1.00 0.00 O ATOM 654 CB TYR A 40 15.960 -13.933 27.923 1.00 0.00 C ATOM 655 CG TYR A 40 14.764 -14.726 27.440 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.485 -15.984 27.993 1.00 0.00 C ATOM 657 CD2 TYR A 40 13.936 -14.205 26.435 1.00 0.00 C ATOM 658 CE1 TYR A 40 13.365 -16.712 27.562 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.820 -14.928 25.990 1.00 0.00 C ATOM 660 CZ TYR A 40 12.525 -16.182 26.560 1.00 0.00 C ATOM 661 OH TYR A 40 11.437 -16.886 26.136 1.00 0.00 O ATOM 0 H TYR A 40 14.994 -11.385 28.187 1.00 0.00 H new ATOM 0 HA TYR A 40 15.312 -13.733 29.967 1.00 0.00 H new ATOM 0 HB2 TYR A 40 16.294 -13.275 27.120 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.778 -14.622 28.131 1.00 0.00 H new ATOM 0 HD1 TYR A 40 15.134 -16.394 28.753 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.159 -13.241 26.001 1.00 0.00 H new ATOM 0 HE1 TYR A 40 13.147 -17.676 27.997 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.188 -14.525 25.212 1.00 0.00 H new ATOM 0 HH TYR A 40 10.967 -16.376 25.443 1.00 0.00 H new ATOM 671 N VAL A 41 17.188 -11.160 29.484 1.00 0.00 N ATOM 672 CA VAL A 41 18.334 -10.426 30.018 1.00 0.00 C ATOM 673 C VAL A 41 17.901 -9.029 30.462 1.00 0.00 C ATOM 674 O VAL A 41 16.925 -8.491 29.939 1.00 0.00 O ATOM 675 CB VAL A 41 19.459 -10.321 28.978 1.00 0.00 C ATOM 676 CG1 VAL A 41 20.174 -11.662 28.814 1.00 0.00 C ATOM 677 CG2 VAL A 41 18.941 -9.863 27.616 1.00 0.00 C ATOM 0 H VAL A 41 16.557 -10.583 28.928 1.00 0.00 H new ATOM 0 HA VAL A 41 18.717 -10.975 30.878 1.00 0.00 H new ATOM 0 HB VAL A 41 20.159 -9.573 29.351 1.00 0.00 H new ATOM 0 HG11 VAL A 41 20.967 -11.563 28.072 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.605 -11.963 29.769 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.460 -12.417 28.484 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.771 -9.803 26.912 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.204 -10.577 27.248 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.477 -8.881 27.714 1.00 0.00 H new ATOM 687 N PRO A 42 18.620 -8.434 31.426 1.00 0.00 N ATOM 688 CA PRO A 42 18.335 -7.105 31.936 1.00 0.00 C ATOM 689 C PRO A 42 18.641 -6.044 30.882 1.00 0.00 C ATOM 690 O PRO A 42 19.332 -6.314 29.900 1.00 0.00 O ATOM 691 CB PRO A 42 19.225 -6.947 33.168 1.00 0.00 C ATOM 692 CG PRO A 42 20.422 -7.830 32.827 1.00 0.00 C ATOM 693 CD PRO A 42 19.774 -9.003 32.101 1.00 0.00 C ATOM 0 HA PRO A 42 17.282 -6.979 32.189 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.518 -5.909 33.326 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.722 -7.278 34.077 1.00 0.00 H new ATOM 0 HG2 PRO A 42 21.142 -7.310 32.195 1.00 0.00 H new ATOM 0 HG3 PRO A 42 20.956 -8.152 33.721 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.464 -9.457 31.389 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.477 -9.785 32.800 1.00 0.00 H new ATOM 701 N SER A 43 18.125 -4.829 31.087 1.00 0.00 N ATOM 702 CA SER A 43 18.257 -3.739 30.126 1.00 0.00 C ATOM 703 C SER A 43 19.702 -3.267 29.961 1.00 0.00 C ATOM 704 O SER A 43 19.993 -2.492 29.052 1.00 0.00 O ATOM 705 CB SER A 43 17.370 -2.577 30.567 1.00 0.00 C ATOM 706 OG SER A 43 17.751 -2.132 31.853 1.00 0.00 O ATOM 0 H SER A 43 17.604 -4.577 31.927 1.00 0.00 H new ATOM 0 HA SER A 43 17.940 -4.113 29.153 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.450 -1.758 29.852 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.326 -2.891 30.577 1.00 0.00 H new ATOM 0 HG SER A 43 17.177 -1.386 32.124 1.00 0.00 H new ATOM 712 N GLY A 44 20.615 -3.724 30.826 1.00 0.00 N ATOM 713 CA GLY A 44 22.022 -3.370 30.724 1.00 0.00 C ATOM 714 C GLY A 44 22.785 -4.315 29.798 1.00 0.00 C ATOM 715 O GLY A 44 23.871 -3.974 29.331 1.00 0.00 O ATOM 0 H GLY A 44 20.395 -4.343 31.606 1.00 0.00 H new ATOM 0 HA2 GLY A 44 22.113 -2.349 30.354 1.00 0.00 H new ATOM 0 HA3 GLY A 44 22.474 -3.391 31.716 1.00 0.00 H new ATOM 719 N ASP A 45 22.223 -5.498 29.529 1.00 0.00 N ATOM 720 CA ASP A 45 22.842 -6.499 28.669 1.00 0.00 C ATOM 721 C ASP A 45 21.997 -6.758 27.424 1.00 0.00 C ATOM 722 O ASP A 45 22.428 -7.485 26.531 1.00 0.00 O ATOM 723 CB ASP A 45 23.047 -7.785 29.465 1.00 0.00 C ATOM 724 CG ASP A 45 24.100 -7.602 30.557 1.00 0.00 C ATOM 725 OD1 ASP A 45 25.295 -7.780 30.235 1.00 0.00 O ATOM 726 OD2 ASP A 45 23.704 -7.285 31.703 1.00 0.00 O ATOM 0 H ASP A 45 21.320 -5.785 29.907 1.00 0.00 H new ATOM 0 HA ASP A 45 23.808 -6.126 28.330 1.00 0.00 H new ATOM 0 HB2 ASP A 45 22.103 -8.090 29.915 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.353 -8.586 28.792 1.00 0.00 H new ATOM 731 N VAL A 46 20.796 -6.176 27.352 1.00 0.00 N ATOM 732 CA VAL A 46 19.894 -6.423 26.240 1.00 0.00 C ATOM 733 C VAL A 46 20.402 -5.877 24.898 1.00 0.00 C ATOM 734 O VAL A 46 20.115 -6.501 23.880 1.00 0.00 O ATOM 735 CB VAL A 46 18.492 -5.905 26.583 1.00 0.00 C ATOM 736 CG1 VAL A 46 18.340 -4.394 26.472 1.00 0.00 C ATOM 737 CG2 VAL A 46 17.471 -6.565 25.665 1.00 0.00 C ATOM 0 H VAL A 46 20.433 -5.532 28.054 1.00 0.00 H new ATOM 0 HA VAL A 46 19.847 -7.502 26.096 1.00 0.00 H new ATOM 0 HB VAL A 46 18.324 -6.162 27.629 1.00 0.00 H new ATOM 0 HG11 VAL A 46 17.320 -4.111 26.731 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.036 -3.907 27.155 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.555 -4.081 25.450 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.473 -6.198 25.907 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.705 -6.324 24.628 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.503 -7.646 25.802 1.00 0.00 H new ATOM 747 N PRO A 47 21.139 -4.754 24.818 1.00 0.00 N ATOM 748 CA PRO A 47 21.519 -4.210 23.528 1.00 0.00 C ATOM 749 C PRO A 47 22.672 -4.996 22.906 1.00 0.00 C ATOM 750 O PRO A 47 22.828 -5.007 21.686 1.00 0.00 O ATOM 751 CB PRO A 47 21.939 -2.771 23.816 1.00 0.00 C ATOM 752 CG PRO A 47 22.544 -2.876 25.212 1.00 0.00 C ATOM 753 CD PRO A 47 21.645 -3.912 25.892 1.00 0.00 C ATOM 0 HA PRO A 47 20.699 -4.267 22.812 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.662 -2.406 23.087 1.00 0.00 H new ATOM 0 HB3 PRO A 47 21.090 -2.088 23.792 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.584 -3.202 25.179 1.00 0.00 H new ATOM 0 HG3 PRO A 47 22.526 -1.919 25.734 1.00 0.00 H new ATOM 0 HD2 PRO A 47 22.204 -4.499 26.620 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.829 -3.430 26.430 1.00 0.00 H new ATOM 761 N ASP A 48 23.483 -5.660 23.734 1.00 0.00 N ATOM 762 CA ASP A 48 24.617 -6.429 23.244 1.00 0.00 C ATOM 763 C ASP A 48 24.159 -7.804 22.767 1.00 0.00 C ATOM 764 O ASP A 48 24.760 -8.386 21.864 1.00 0.00 O ATOM 765 CB ASP A 48 25.650 -6.561 24.364 1.00 0.00 C ATOM 766 CG ASP A 48 26.931 -7.227 23.868 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.659 -6.566 23.091 1.00 0.00 O ATOM 768 OD2 ASP A 48 27.175 -8.386 24.271 1.00 0.00 O ATOM 0 H ASP A 48 23.370 -5.677 24.748 1.00 0.00 H new ATOM 0 HA ASP A 48 25.070 -5.915 22.396 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.883 -5.574 24.764 1.00 0.00 H new ATOM 0 HB3 ASP A 48 25.228 -7.145 25.182 1.00 0.00 H new ATOM 773 N VAL A 49 23.087 -8.327 23.370 1.00 0.00 N ATOM 774 CA VAL A 49 22.538 -9.619 22.990 1.00 0.00 C ATOM 775 C VAL A 49 21.722 -9.478 21.706 1.00 0.00 C ATOM 776 O VAL A 49 21.609 -10.438 20.946 1.00 0.00 O ATOM 777 CB VAL A 49 21.705 -10.163 24.155 1.00 0.00 C ATOM 778 CG1 VAL A 49 20.938 -11.422 23.761 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.629 -10.525 25.317 1.00 0.00 C ATOM 0 H VAL A 49 22.584 -7.866 24.128 1.00 0.00 H new ATOM 0 HA VAL A 49 23.336 -10.332 22.783 1.00 0.00 H new ATOM 0 HB VAL A 49 20.995 -9.386 24.439 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.359 -11.777 24.614 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.264 -11.194 22.935 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.642 -12.195 23.452 1.00 0.00 H new ATOM 0 HG21 VAL A 49 22.037 -10.912 26.146 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.340 -11.285 24.993 1.00 0.00 H new ATOM 0 HG23 VAL A 49 23.170 -9.636 25.642 1.00 0.00 H new ATOM 789 N VAL A 50 21.159 -8.294 21.448 1.00 0.00 N ATOM 790 CA VAL A 50 20.460 -8.033 20.197 1.00 0.00 C ATOM 791 C VAL A 50 21.472 -7.890 19.066 1.00 0.00 C ATOM 792 O VAL A 50 21.188 -8.278 17.937 1.00 0.00 O ATOM 793 CB VAL A 50 19.598 -6.774 20.336 1.00 0.00 C ATOM 794 CG1 VAL A 50 19.055 -6.313 18.983 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.410 -7.064 21.245 1.00 0.00 C ATOM 0 H VAL A 50 21.176 -7.504 22.093 1.00 0.00 H new ATOM 0 HA VAL A 50 19.801 -8.868 19.961 1.00 0.00 H new ATOM 0 HB VAL A 50 20.229 -5.990 20.754 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.448 -5.418 19.120 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.886 -6.089 18.315 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.443 -7.103 18.548 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.799 -6.167 21.342 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.811 -7.867 20.816 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.770 -7.366 22.229 1.00 0.00 H new ATOM 805 N GLN A 51 22.652 -7.336 19.361 1.00 0.00 N ATOM 806 CA GLN A 51 23.683 -7.197 18.349 1.00 0.00 C ATOM 807 C GLN A 51 24.287 -8.563 18.046 1.00 0.00 C ATOM 808 O GLN A 51 24.515 -8.885 16.884 1.00 0.00 O ATOM 809 CB GLN A 51 24.745 -6.211 18.835 1.00 0.00 C ATOM 810 CG GLN A 51 25.819 -5.999 17.765 1.00 0.00 C ATOM 811 CD GLN A 51 26.831 -4.933 18.170 1.00 0.00 C ATOM 812 OE1 GLN A 51 26.772 -4.378 19.263 1.00 0.00 O ATOM 813 NE2 GLN A 51 27.778 -4.634 17.284 1.00 0.00 N ATOM 0 H GLN A 51 22.908 -6.983 20.283 1.00 0.00 H new ATOM 0 HA GLN A 51 23.253 -6.805 17.427 1.00 0.00 H new ATOM 0 HB2 GLN A 51 24.277 -5.258 19.081 1.00 0.00 H new ATOM 0 HB3 GLN A 51 25.205 -6.586 19.749 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.338 -6.940 17.582 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.344 -5.709 16.828 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.803 -5.112 16.383 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.479 -3.927 17.506 1.00 0.00 H new ATOM 822 N GLU A 52 24.548 -9.377 19.073 1.00 0.00 N ATOM 823 CA GLU A 52 25.110 -10.700 18.844 1.00 0.00 C ATOM 824 C GLU A 52 24.097 -11.571 18.101 1.00 0.00 C ATOM 825 O GLU A 52 24.488 -12.463 17.351 1.00 0.00 O ATOM 826 CB GLU A 52 25.504 -11.332 20.179 1.00 0.00 C ATOM 827 CG GLU A 52 26.186 -12.683 19.947 1.00 0.00 C ATOM 828 CD GLU A 52 26.662 -13.326 21.254 1.00 0.00 C ATOM 829 OE1 GLU A 52 27.206 -12.589 22.107 1.00 0.00 O ATOM 830 OE2 GLU A 52 26.476 -14.556 21.387 1.00 0.00 O ATOM 0 H GLU A 52 24.381 -9.144 20.052 1.00 0.00 H new ATOM 0 HA GLU A 52 26.005 -10.616 18.228 1.00 0.00 H new ATOM 0 HB2 GLU A 52 26.176 -10.666 20.720 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.619 -11.466 20.801 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.491 -13.357 19.445 1.00 0.00 H new ATOM 0 HG3 GLU A 52 27.037 -12.548 19.280 1.00 0.00 H new ATOM 837 N ALA A 53 22.800 -11.314 18.295 1.00 0.00 N ATOM 838 CA ALA A 53 21.762 -12.074 17.622 1.00 0.00 C ATOM 839 C ALA A 53 21.710 -11.722 16.138 1.00 0.00 C ATOM 840 O ALA A 53 21.338 -12.567 15.326 1.00 0.00 O ATOM 841 CB ALA A 53 20.423 -11.797 18.296 1.00 0.00 C ATOM 0 H ALA A 53 22.451 -10.583 18.915 1.00 0.00 H new ATOM 0 HA ALA A 53 21.987 -13.138 17.698 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.639 -12.365 17.795 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.474 -12.095 19.343 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.197 -10.733 18.232 1.00 0.00 H new ATOM 847 N PHE A 54 22.076 -10.492 15.766 1.00 0.00 N ATOM 848 CA PHE A 54 22.093 -10.093 14.367 1.00 0.00 C ATOM 849 C PHE A 54 23.405 -10.485 13.693 1.00 0.00 C ATOM 850 O PHE A 54 23.419 -10.733 12.488 1.00 0.00 O ATOM 851 CB PHE A 54 21.823 -8.591 14.259 1.00 0.00 C ATOM 852 CG PHE A 54 20.416 -8.164 14.637 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.317 -8.993 14.354 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.201 -6.928 15.266 1.00 0.00 C ATOM 855 CE1 PHE A 54 18.021 -8.590 14.696 1.00 0.00 C ATOM 856 CE2 PHE A 54 18.901 -6.516 15.592 1.00 0.00 C ATOM 857 CZ PHE A 54 17.813 -7.350 15.309 1.00 0.00 C ATOM 0 H PHE A 54 22.363 -9.761 16.417 1.00 0.00 H new ATOM 0 HA PHE A 54 21.302 -10.624 13.838 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.531 -8.063 14.898 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.020 -8.274 13.235 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.473 -9.946 13.870 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.041 -6.291 15.500 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.182 -9.236 14.487 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.739 -5.557 16.061 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.812 -7.036 15.564 1.00 0.00 H new ATOM 867 N ILE A 55 24.504 -10.550 14.448 1.00 0.00 N ATOM 868 CA ILE A 55 25.772 -11.018 13.901 1.00 0.00 C ATOM 869 C ILE A 55 25.679 -12.528 13.681 1.00 0.00 C ATOM 870 O ILE A 55 26.189 -13.055 12.693 1.00 0.00 O ATOM 871 CB ILE A 55 26.910 -10.663 14.867 1.00 0.00 C ATOM 872 CG1 ILE A 55 27.056 -9.139 14.973 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.223 -11.282 14.380 1.00 0.00 C ATOM 874 CD1 ILE A 55 28.060 -8.739 16.052 1.00 0.00 C ATOM 0 H ILE A 55 24.538 -10.286 15.433 1.00 0.00 H new ATOM 0 HA ILE A 55 25.981 -10.535 12.946 1.00 0.00 H new ATOM 0 HB ILE A 55 26.673 -11.064 15.853 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.376 -8.737 14.012 1.00 0.00 H new ATOM 0 HG13 ILE A 55 26.086 -8.696 15.197 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.025 -11.025 15.072 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.119 -12.366 14.332 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.461 -10.897 13.389 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.134 -7.652 16.095 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.727 -9.118 17.018 1.00 0.00 H new ATOM 0 HD13 ILE A 55 29.037 -9.160 15.814 1.00 0.00 H new ATOM 886 N LYS A 56 25.018 -13.227 14.610 1.00 0.00 N ATOM 887 CA LYS A 56 24.843 -14.668 14.547 1.00 0.00 C ATOM 888 C LYS A 56 23.793 -15.038 13.501 1.00 0.00 C ATOM 889 O LYS A 56 23.894 -16.086 12.868 1.00 0.00 O ATOM 890 CB LYS A 56 24.438 -15.143 15.941 1.00 0.00 C ATOM 891 CG LYS A 56 24.303 -16.662 16.033 1.00 0.00 C ATOM 892 CD LYS A 56 23.826 -17.050 17.434 1.00 0.00 C ATOM 893 CE LYS A 56 24.839 -16.607 18.490 1.00 0.00 C ATOM 894 NZ LYS A 56 24.346 -16.909 19.842 1.00 0.00 N ATOM 0 H LYS A 56 24.589 -12.798 15.430 1.00 0.00 H new ATOM 0 HA LYS A 56 25.769 -15.156 14.245 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.179 -14.804 16.665 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.490 -14.681 16.216 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.596 -17.021 15.285 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.261 -17.136 15.820 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.859 -16.590 17.635 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.683 -18.129 17.489 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.790 -17.112 18.323 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.025 -15.537 18.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.040 -16.585 20.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.441 -16.421 19.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.207 -17.935 19.940 1.00 0.00 H new ATOM 908 N ALA A 57 22.786 -14.179 13.316 1.00 0.00 N ATOM 909 CA ALA A 57 21.744 -14.433 12.337 1.00 0.00 C ATOM 910 C ALA A 57 22.310 -14.328 10.927 1.00 0.00 C ATOM 911 O ALA A 57 22.052 -15.202 10.108 1.00 0.00 O ATOM 912 CB ALA A 57 20.593 -13.446 12.528 1.00 0.00 C ATOM 0 H ALA A 57 22.677 -13.307 13.833 1.00 0.00 H new ATOM 0 HA ALA A 57 21.362 -15.444 12.481 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.817 -13.645 11.789 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.178 -13.560 13.530 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.962 -12.428 12.402 1.00 0.00 H new ATOM 918 N TYR A 58 23.079 -13.282 10.624 1.00 0.00 N ATOM 919 CA TYR A 58 23.567 -13.077 9.268 1.00 0.00 C ATOM 920 C TYR A 58 24.417 -14.254 8.795 1.00 0.00 C ATOM 921 O TYR A 58 24.357 -14.639 7.628 1.00 0.00 O ATOM 922 CB TYR A 58 24.409 -11.805 9.243 1.00 0.00 C ATOM 923 CG TYR A 58 24.866 -11.428 7.856 1.00 0.00 C ATOM 924 CD1 TYR A 58 23.923 -11.032 6.893 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.229 -11.478 7.528 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.340 -10.671 5.607 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.653 -11.126 6.240 1.00 0.00 C ATOM 928 CZ TYR A 58 25.711 -10.716 5.276 1.00 0.00 C ATOM 929 OH TYR A 58 26.127 -10.367 4.025 1.00 0.00 O ATOM 0 H TYR A 58 23.373 -12.572 11.295 1.00 0.00 H new ATOM 0 HA TYR A 58 22.711 -12.991 8.598 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.829 -10.984 9.664 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.281 -11.941 9.883 1.00 0.00 H new ATOM 0 HD1 TYR A 58 22.873 -11.006 7.146 1.00 0.00 H new ATOM 0 HD2 TYR A 58 26.952 -11.788 8.268 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.615 -10.359 4.870 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.702 -11.169 5.986 1.00 0.00 H new ATOM 0 HH TYR A 58 27.101 -10.454 3.968 1.00 0.00 H new ATOM 939 N ARG A 59 25.208 -14.829 9.704 1.00 0.00 N ATOM 940 CA ARG A 59 26.076 -15.957 9.397 1.00 0.00 C ATOM 941 C ARG A 59 25.271 -17.238 9.206 1.00 0.00 C ATOM 942 O ARG A 59 25.716 -18.145 8.507 1.00 0.00 O ATOM 943 CB ARG A 59 27.071 -16.117 10.544 1.00 0.00 C ATOM 944 CG ARG A 59 27.983 -14.895 10.630 1.00 0.00 C ATOM 945 CD ARG A 59 28.791 -14.984 11.924 1.00 0.00 C ATOM 946 NE ARG A 59 29.802 -13.928 11.995 1.00 0.00 N ATOM 947 CZ ARG A 59 30.615 -13.743 13.037 1.00 0.00 C ATOM 948 NH1 ARG A 59 30.551 -14.534 14.106 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.502 -12.753 13.015 1.00 0.00 N ATOM 0 H ARG A 59 25.261 -14.521 10.675 1.00 0.00 H new ATOM 0 HA ARG A 59 26.604 -15.767 8.462 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.535 -16.246 11.484 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.669 -17.016 10.393 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.650 -14.859 9.769 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.392 -13.979 10.615 1.00 0.00 H new ATOM 0 HD2 ARG A 59 28.120 -14.906 12.780 1.00 0.00 H new ATOM 0 HD3 ARG A 59 29.275 -15.959 11.986 1.00 0.00 H new ATOM 0 HE ARG A 59 29.891 -13.295 11.200 1.00 0.00 H new ATOM 0 HH11 ARG A 59 29.873 -15.295 14.137 1.00 0.00 H new ATOM 0 HH12 ARG A 59 31.180 -14.379 14.894 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.560 -12.138 12.203 1.00 0.00 H new ATOM 0 HH22 ARG A 59 32.125 -12.609 13.810 1.00 0.00 H new ATOM 963 N ALA A 60 24.090 -17.309 9.824 1.00 0.00 N ATOM 964 CA ALA A 60 23.181 -18.434 9.672 1.00 0.00 C ATOM 965 C ALA A 60 22.160 -18.186 8.556 1.00 0.00 C ATOM 966 O ALA A 60 21.483 -19.115 8.118 1.00 0.00 O ATOM 967 CB ALA A 60 22.486 -18.682 11.011 1.00 0.00 C ATOM 0 H ALA A 60 23.741 -16.580 10.446 1.00 0.00 H new ATOM 0 HA ALA A 60 23.748 -19.319 9.383 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.800 -19.523 10.914 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.233 -18.908 11.772 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.929 -17.791 11.302 1.00 0.00 H new ATOM 973 N LEU A 61 22.046 -16.939 8.087 1.00 0.00 N ATOM 974 CA LEU A 61 21.065 -16.549 7.091 1.00 0.00 C ATOM 975 C LEU A 61 21.492 -17.007 5.702 1.00 0.00 C ATOM 976 O LEU A 61 20.649 -17.214 4.830 1.00 0.00 O ATOM 977 CB LEU A 61 20.927 -15.030 7.130 1.00 0.00 C ATOM 978 CG LEU A 61 19.702 -14.548 6.356 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.424 -14.988 7.057 1.00 0.00 C ATOM 980 CD2 LEU A 61 19.732 -13.026 6.320 1.00 0.00 C ATOM 0 H LEU A 61 22.642 -16.171 8.396 1.00 0.00 H new ATOM 0 HA LEU A 61 20.107 -17.020 7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.855 -14.699 8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.824 -14.573 6.711 1.00 0.00 H new ATOM 0 HG LEU A 61 19.721 -14.969 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.560 -14.637 6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.399 -16.076 7.119 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.397 -14.567 8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.865 -12.658 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.709 -12.637 7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.644 -12.692 5.825 1.00 0.00 H new ATOM 992 N ASP A 62 22.801 -17.171 5.495 1.00 0.00 N ATOM 993 CA ASP A 62 23.332 -17.686 4.241 1.00 0.00 C ATOM 994 C ASP A 62 22.972 -19.168 4.086 1.00 0.00 C ATOM 995 O ASP A 62 23.118 -19.733 3.002 1.00 0.00 O ATOM 996 CB ASP A 62 24.846 -17.482 4.232 1.00 0.00 C ATOM 997 CG ASP A 62 25.468 -17.891 2.901 1.00 0.00 C ATOM 998 OD1 ASP A 62 25.094 -17.276 1.875 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.313 -18.814 2.914 1.00 0.00 O ATOM 0 H ASP A 62 23.514 -16.951 6.190 1.00 0.00 H new ATOM 0 HA ASP A 62 22.895 -17.150 3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.072 -16.435 4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.295 -18.064 5.037 1.00 0.00 H new ATOM 1004 N SER A 63 22.501 -19.794 5.171 1.00 0.00 N ATOM 1005 CA SER A 63 22.105 -21.192 5.186 1.00 0.00 C ATOM 1006 C SER A 63 20.597 -21.356 5.384 1.00 0.00 C ATOM 1007 O SER A 63 20.103 -22.481 5.412 1.00 0.00 O ATOM 1008 CB SER A 63 22.881 -21.920 6.285 1.00 0.00 C ATOM 1009 OG SER A 63 24.267 -21.798 6.054 1.00 0.00 O ATOM 0 H SER A 63 22.386 -19.330 6.072 1.00 0.00 H new ATOM 0 HA SER A 63 22.343 -21.630 4.217 1.00 0.00 H new ATOM 0 HB2 SER A 63 22.628 -21.502 7.259 1.00 0.00 H new ATOM 0 HB3 SER A 63 22.598 -22.972 6.306 1.00 0.00 H new ATOM 0 HG SER A 63 24.759 -22.265 6.762 1.00 0.00 H new ATOM 1015 N PHE A 64 19.856 -20.250 5.522 1.00 0.00 N ATOM 1016 CA PHE A 64 18.409 -20.320 5.657 1.00 0.00 C ATOM 1017 C PHE A 64 17.809 -20.693 4.305 1.00 0.00 C ATOM 1018 O PHE A 64 18.148 -20.087 3.289 1.00 0.00 O ATOM 1019 CB PHE A 64 17.860 -18.988 6.175 1.00 0.00 C ATOM 1020 CG PHE A 64 16.355 -18.955 6.370 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.701 -20.006 7.028 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.611 -17.864 5.892 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.310 -19.966 7.210 1.00 0.00 C ATOM 1024 CE2 PHE A 64 14.220 -17.821 6.080 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.573 -18.872 6.740 1.00 0.00 C ATOM 0 H PHE A 64 20.238 -19.305 5.542 1.00 0.00 H new ATOM 0 HA PHE A 64 18.134 -21.084 6.384 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.341 -18.757 7.126 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.140 -18.199 5.477 1.00 0.00 H new ATOM 0 HD1 PHE A 64 16.269 -20.848 7.396 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.110 -17.056 5.378 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.808 -20.779 7.713 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.651 -16.979 5.716 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.504 -18.839 6.887 1.00 0.00 H new ATOM 1099 N PHE A 70 10.978 -15.831 7.871 1.00 0.00 N ATOM 1100 CA PHE A 70 12.147 -15.184 8.442 1.00 0.00 C ATOM 1101 C PHE A 70 11.907 -14.710 9.875 1.00 0.00 C ATOM 1102 O PHE A 70 12.836 -14.715 10.678 1.00 0.00 O ATOM 1103 CB PHE A 70 12.536 -13.988 7.572 1.00 0.00 C ATOM 1104 CG PHE A 70 13.672 -13.190 8.164 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.960 -13.743 8.214 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.438 -11.909 8.682 1.00 0.00 C ATOM 1107 CE1 PHE A 70 16.008 -13.017 8.795 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.486 -11.185 9.261 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.773 -11.740 9.321 1.00 0.00 C ATOM 0 HA PHE A 70 12.951 -15.919 8.470 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.821 -14.341 6.581 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.669 -13.340 7.442 1.00 0.00 H new ATOM 0 HD1 PHE A 70 15.143 -14.726 7.806 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.448 -11.480 8.634 1.00 0.00 H new ATOM 0 HE1 PHE A 70 17.000 -13.443 8.837 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.304 -10.199 9.662 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.581 -11.184 9.772 1.00 0.00 H new ATOM 1119 N TYR A 71 10.679 -14.300 10.215 1.00 0.00 N ATOM 1120 CA TYR A 71 10.422 -13.750 11.540 1.00 0.00 C ATOM 1121 C TYR A 71 10.494 -14.827 12.621 1.00 0.00 C ATOM 1122 O TYR A 71 11.086 -14.594 13.668 1.00 0.00 O ATOM 1123 CB TYR A 71 9.082 -13.017 11.558 1.00 0.00 C ATOM 1124 CG TYR A 71 7.881 -13.868 11.214 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.241 -14.606 12.217 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.404 -13.913 9.895 1.00 0.00 C ATOM 1127 CE1 TYR A 71 6.116 -15.387 11.907 1.00 0.00 C ATOM 1128 CE2 TYR A 71 6.285 -14.695 9.575 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.635 -15.432 10.584 1.00 0.00 C ATOM 1130 OH TYR A 71 4.543 -16.192 10.280 1.00 0.00 O ATOM 0 H TYR A 71 9.866 -14.339 9.601 1.00 0.00 H new ATOM 0 HA TYR A 71 11.206 -13.028 11.767 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.933 -12.589 12.549 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.131 -12.185 10.856 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.613 -14.575 13.230 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.901 -13.343 9.124 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.620 -15.952 12.682 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.923 -14.732 8.558 1.00 0.00 H new ATOM 0 HH TYR A 71 4.343 -16.110 9.324 1.00 0.00 H new ATOM 1140 N THR A 72 9.909 -16.005 12.384 1.00 0.00 N ATOM 1141 CA THR A 72 9.963 -17.079 13.373 1.00 0.00 C ATOM 1142 C THR A 72 11.394 -17.595 13.481 1.00 0.00 C ATOM 1143 O THR A 72 11.840 -18.004 14.552 1.00 0.00 O ATOM 1144 CB THR A 72 9.024 -18.216 12.954 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.722 -17.718 12.763 1.00 0.00 O ATOM 1146 CG2 THR A 72 8.968 -19.299 14.030 1.00 0.00 C ATOM 0 H THR A 72 9.401 -16.235 11.530 1.00 0.00 H new ATOM 0 HA THR A 72 9.644 -16.698 14.343 1.00 0.00 H new ATOM 0 HB THR A 72 9.409 -18.642 12.027 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.769 -16.786 12.463 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.296 -20.095 13.710 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.966 -19.708 14.187 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.602 -18.868 14.962 1.00 0.00 H new ATOM 1154 N TRP A 73 12.111 -17.570 12.354 1.00 0.00 N ATOM 1155 CA TRP A 73 13.481 -18.035 12.280 1.00 0.00 C ATOM 1156 C TRP A 73 14.428 -17.055 12.971 1.00 0.00 C ATOM 1157 O TRP A 73 15.472 -17.464 13.474 1.00 0.00 O ATOM 1158 CB TRP A 73 13.839 -18.203 10.805 1.00 0.00 C ATOM 1159 CG TRP A 73 15.263 -18.574 10.551 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.730 -19.823 10.350 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.422 -17.692 10.472 1.00 0.00 C ATOM 1162 NE1 TRP A 73 17.097 -19.782 10.166 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.578 -18.494 10.251 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.617 -16.302 10.582 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.860 -17.951 10.164 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 17.899 -15.746 10.497 1.00 0.00 C ATOM 1167 CH2 TRP A 73 19.018 -16.568 10.299 1.00 0.00 C ATOM 0 H TRP A 73 11.746 -17.223 11.467 1.00 0.00 H new ATOM 0 HA TRP A 73 13.583 -18.989 12.798 1.00 0.00 H new ATOM 0 HB2 TRP A 73 13.195 -18.969 10.373 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.621 -17.271 10.283 1.00 0.00 H new ATOM 0 HD1 TRP A 73 15.126 -20.718 10.335 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.678 -20.602 9.989 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.765 -15.655 10.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.716 -18.588 9.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.027 -14.677 10.584 1.00 0.00 H new ATOM 0 HH2 TRP A 73 20.005 -16.132 10.251 1.00 0.00 H new ATOM 1178 N LEU A 74 14.073 -15.765 13.002 1.00 0.00 N ATOM 1179 CA LEU A 74 14.892 -14.737 13.621 1.00 0.00 C ATOM 1180 C LEU A 74 14.603 -14.633 15.118 1.00 0.00 C ATOM 1181 O LEU A 74 15.523 -14.415 15.906 1.00 0.00 O ATOM 1182 CB LEU A 74 14.619 -13.402 12.928 1.00 0.00 C ATOM 1183 CG LEU A 74 15.442 -12.257 13.531 1.00 0.00 C ATOM 1184 CD1 LEU A 74 16.943 -12.477 13.337 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.046 -10.948 12.861 1.00 0.00 C ATOM 0 H LEU A 74 13.207 -15.412 12.595 1.00 0.00 H new ATOM 0 HA LEU A 74 15.944 -15.001 13.508 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.849 -13.492 11.866 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.558 -13.165 13.006 1.00 0.00 H new ATOM 0 HG LEU A 74 15.236 -12.223 14.601 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.493 -11.645 13.777 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.240 -13.406 13.823 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.167 -12.537 12.272 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.628 -10.131 13.286 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.241 -11.014 11.791 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.985 -10.761 13.026 1.00 0.00 H new ATOM 1197 N TYR A 75 13.338 -14.782 15.519 1.00 0.00 N ATOM 1198 CA TYR A 75 12.985 -14.674 16.930 1.00 0.00 C ATOM 1199 C TYR A 75 13.725 -15.726 17.751 1.00 0.00 C ATOM 1200 O TYR A 75 14.052 -15.477 18.912 1.00 0.00 O ATOM 1201 CB TYR A 75 11.474 -14.848 17.108 1.00 0.00 C ATOM 1202 CG TYR A 75 10.595 -13.799 16.457 1.00 0.00 C ATOM 1203 CD1 TYR A 75 11.090 -12.519 16.158 1.00 0.00 C ATOM 1204 CD2 TYR A 75 9.260 -14.116 16.152 1.00 0.00 C ATOM 1205 CE1 TYR A 75 10.258 -11.560 15.563 1.00 0.00 C ATOM 1206 CE2 TYR A 75 8.423 -13.163 15.554 1.00 0.00 C ATOM 1207 CZ TYR A 75 8.923 -11.881 15.255 1.00 0.00 C ATOM 1208 OH TYR A 75 8.114 -10.950 14.674 1.00 0.00 O ATOM 0 H TYR A 75 12.555 -14.975 14.895 1.00 0.00 H new ATOM 0 HA TYR A 75 13.278 -13.685 17.283 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.193 -15.824 16.711 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.255 -14.863 18.176 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.116 -12.272 16.387 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.877 -15.100 16.380 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.642 -10.575 15.341 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.398 -13.412 15.323 1.00 0.00 H new ATOM 0 HH TYR A 75 7.225 -11.335 14.528 1.00 0.00 H new ATOM 1218 N ARG A 76 13.997 -16.899 17.164 1.00 0.00 N ATOM 1219 CA ARG A 76 14.698 -17.950 17.887 1.00 0.00 C ATOM 1220 C ARG A 76 16.198 -17.674 17.984 1.00 0.00 C ATOM 1221 O ARG A 76 16.851 -18.223 18.869 1.00 0.00 O ATOM 1222 CB ARG A 76 14.411 -19.322 17.271 1.00 0.00 C ATOM 1223 CG ARG A 76 14.976 -19.455 15.860 1.00 0.00 C ATOM 1224 CD ARG A 76 14.756 -20.876 15.351 1.00 0.00 C ATOM 1225 NE ARG A 76 15.432 -21.084 14.065 1.00 0.00 N ATOM 1226 CZ ARG A 76 15.513 -22.265 13.449 1.00 0.00 C ATOM 1227 NH1 ARG A 76 14.945 -23.351 13.970 1.00 0.00 N ATOM 1228 NH2 ARG A 76 16.168 -22.369 12.297 1.00 0.00 N ATOM 0 H ARG A 76 13.744 -17.135 16.205 1.00 0.00 H new ATOM 0 HA ARG A 76 14.316 -17.958 18.908 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.838 -20.099 17.905 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.334 -19.488 17.245 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.491 -18.741 15.195 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.040 -19.219 15.860 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.132 -21.591 16.083 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.688 -21.065 15.240 1.00 0.00 H new ATOM 0 HE ARG A 76 15.866 -20.278 13.615 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.438 -23.288 14.853 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.017 -24.246 13.486 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.608 -21.546 11.885 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.230 -23.271 11.825 1.00 0.00 H new ATOM 1242 N ILE A 77 16.762 -16.836 17.102 1.00 0.00 N ATOM 1243 CA ILE A 77 18.178 -16.499 17.210 1.00 0.00 C ATOM 1244 C ILE A 77 18.402 -15.629 18.445 1.00 0.00 C ATOM 1245 O ILE A 77 19.406 -15.773 19.137 1.00 0.00 O ATOM 1246 CB ILE A 77 18.674 -15.747 15.964 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.359 -16.443 14.635 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.187 -15.539 16.074 1.00 0.00 C ATOM 1249 CD1 ILE A 77 18.982 -17.835 14.495 1.00 0.00 C ATOM 0 H ILE A 77 16.270 -16.392 16.327 1.00 0.00 H new ATOM 0 HA ILE A 77 18.741 -17.429 17.295 1.00 0.00 H new ATOM 0 HB ILE A 77 18.134 -14.800 15.946 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.278 -16.528 14.529 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.711 -15.815 13.816 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.546 -15.006 15.193 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.410 -14.956 16.967 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.684 -16.507 16.140 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.712 -18.259 13.528 1.00 0.00 H new ATOM 0 HD12 ILE A 77 20.067 -17.757 14.567 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.611 -18.481 15.291 1.00 0.00 H new ATOM 1261 N ALA A 78 17.467 -14.717 18.727 1.00 0.00 N ATOM 1262 CA ALA A 78 17.650 -13.745 19.792 1.00 0.00 C ATOM 1263 C ALA A 78 17.463 -14.355 21.177 1.00 0.00 C ATOM 1264 O ALA A 78 18.203 -14.013 22.100 1.00 0.00 O ATOM 1265 CB ALA A 78 16.677 -12.585 19.570 1.00 0.00 C ATOM 0 H ALA A 78 16.580 -14.637 18.230 1.00 0.00 H new ATOM 0 HA ALA A 78 18.678 -13.384 19.757 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.803 -11.847 20.363 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.880 -12.120 18.605 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.654 -12.961 19.584 1.00 0.00 H new ATOM 1271 N VAL A 79 16.493 -15.259 21.346 1.00 0.00 N ATOM 1272 CA VAL A 79 16.266 -15.860 22.654 1.00 0.00 C ATOM 1273 C VAL A 79 17.321 -16.917 22.962 1.00 0.00 C ATOM 1274 O VAL A 79 17.680 -17.107 24.122 1.00 0.00 O ATOM 1275 CB VAL A 79 14.841 -16.417 22.742 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.580 -17.483 21.687 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.593 -17.031 24.118 1.00 0.00 C ATOM 0 H VAL A 79 15.867 -15.582 20.608 1.00 0.00 H new ATOM 0 HA VAL A 79 16.364 -15.089 23.418 1.00 0.00 H new ATOM 0 HB VAL A 79 14.165 -15.579 22.571 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.558 -17.850 21.786 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.717 -17.054 20.694 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.277 -18.309 21.824 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.577 -17.422 24.164 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.302 -17.842 24.288 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.724 -16.268 24.886 1.00 0.00 H new ATOM 1287 N ASN A 80 17.830 -17.612 21.939 1.00 0.00 N ATOM 1288 CA ASN A 80 18.861 -18.613 22.160 1.00 0.00 C ATOM 1289 C ASN A 80 20.212 -17.945 22.412 1.00 0.00 C ATOM 1290 O ASN A 80 21.102 -18.562 22.993 1.00 0.00 O ATOM 1291 CB ASN A 80 18.926 -19.562 20.960 1.00 0.00 C ATOM 1292 CG ASN A 80 17.689 -20.441 20.851 1.00 0.00 C ATOM 1293 OD1 ASN A 80 16.855 -20.479 21.751 1.00 0.00 O ATOM 1294 ND2 ASN A 80 17.558 -21.159 19.741 1.00 0.00 N ATOM 0 H ASN A 80 17.546 -17.498 20.966 1.00 0.00 H new ATOM 0 HA ASN A 80 18.611 -19.195 23.047 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.037 -18.980 20.045 1.00 0.00 H new ATOM 0 HB3 ASN A 80 19.811 -20.193 21.046 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.746 -21.764 19.618 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.269 -21.105 19.012 1.00 0.00 H new ATOM 1301 N THR A 81 20.373 -16.687 21.990 1.00 0.00 N ATOM 1302 CA THR A 81 21.604 -15.952 22.250 1.00 0.00 C ATOM 1303 C THR A 81 21.615 -15.437 23.684 1.00 0.00 C ATOM 1304 O THR A 81 22.679 -15.310 24.285 1.00 0.00 O ATOM 1305 CB THR A 81 21.769 -14.816 21.236 1.00 0.00 C ATOM 1306 OG1 THR A 81 21.888 -15.370 19.944 1.00 0.00 O ATOM 1307 CG2 THR A 81 23.040 -14.015 21.505 1.00 0.00 C ATOM 0 H THR A 81 19.668 -16.163 21.471 1.00 0.00 H new ATOM 0 HA THR A 81 22.455 -16.623 22.133 1.00 0.00 H new ATOM 0 HB THR A 81 20.901 -14.162 21.319 1.00 0.00 H new ATOM 0 HG1 THR A 81 20.995 -15.548 19.581 1.00 0.00 H new ATOM 0 HG21 THR A 81 23.129 -13.216 20.769 1.00 0.00 H new ATOM 0 HG22 THR A 81 22.993 -13.584 22.505 1.00 0.00 H new ATOM 0 HG23 THR A 81 23.906 -14.673 21.434 1.00 0.00 H new ATOM 1315 N ALA A 82 20.440 -15.142 24.245 1.00 0.00 N ATOM 1316 CA ALA A 82 20.337 -14.668 25.613 1.00 0.00 C ATOM 1317 C ALA A 82 20.601 -15.810 26.591 1.00 0.00 C ATOM 1318 O ALA A 82 21.099 -15.584 27.693 1.00 0.00 O ATOM 1319 CB ALA A 82 18.937 -14.091 25.823 1.00 0.00 C ATOM 0 H ALA A 82 19.545 -15.226 23.763 1.00 0.00 H new ATOM 0 HA ALA A 82 21.083 -13.894 25.796 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.842 -13.730 26.847 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.776 -13.265 25.130 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.193 -14.867 25.641 1.00 0.00 H new ATOM 1325 N LYS A 83 20.273 -17.042 26.187 1.00 0.00 N ATOM 1326 CA LYS A 83 20.474 -18.206 27.035 1.00 0.00 C ATOM 1327 C LYS A 83 21.926 -18.664 27.012 1.00 0.00 C ATOM 1328 O LYS A 83 22.393 -19.227 28.002 1.00 0.00 O ATOM 1329 CB LYS A 83 19.525 -19.320 26.589 1.00 0.00 C ATOM 1330 CG LYS A 83 18.080 -18.914 26.883 1.00 0.00 C ATOM 1331 CD LYS A 83 17.117 -19.963 26.329 1.00 0.00 C ATOM 1332 CE LYS A 83 15.679 -19.549 26.630 1.00 0.00 C ATOM 1333 NZ LYS A 83 14.715 -20.534 26.104 1.00 0.00 N ATOM 0 H LYS A 83 19.867 -17.252 25.275 1.00 0.00 H new ATOM 0 HA LYS A 83 20.248 -17.941 28.068 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.649 -19.512 25.523 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.766 -20.247 27.110 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.935 -18.808 27.958 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.869 -17.943 26.436 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.258 -20.068 25.253 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.327 -20.935 26.775 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.546 -19.446 27.707 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.480 -18.572 26.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.747 -20.224 26.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.827 -20.613 25.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.891 -21.460 26.543 1.00 0.00 H new ATOM 1347 N ASN A 84 22.657 -18.436 25.912 1.00 0.00 N ATOM 1348 CA ASN A 84 24.070 -18.775 25.891 1.00 0.00 C ATOM 1349 C ASN A 84 24.907 -17.635 26.475 1.00 0.00 C ATOM 1350 O ASN A 84 26.068 -17.840 26.827 1.00 0.00 O ATOM 1351 CB ASN A 84 24.533 -19.198 24.489 1.00 0.00 C ATOM 1352 CG ASN A 84 24.946 -18.044 23.585 1.00 0.00 C ATOM 1353 OD1 ASN A 84 24.276 -17.752 22.602 1.00 0.00 O ATOM 1354 ND2 ASN A 84 26.051 -17.377 23.902 1.00 0.00 N ATOM 0 H ASN A 84 22.297 -18.028 25.049 1.00 0.00 H new ATOM 0 HA ASN A 84 24.223 -19.645 26.530 1.00 0.00 H new ATOM 0 HB2 ASN A 84 25.375 -19.883 24.590 1.00 0.00 H new ATOM 0 HB3 ASN A 84 23.728 -19.751 24.006 1.00 0.00 H new ATOM 0 HD21 ASN A 84 26.362 -16.599 23.320 1.00 0.00 H new ATOM 0 HD22 ASN A 84 26.588 -17.643 24.727 1.00 0.00 H new