USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 744 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 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0.396 (180deg=0.386) USER MOD Single : A 18 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.47) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 163:sc= 1.26 (180deg=0.963) USER MOD Single : A 79 SER OG : rot 96:sc= -3.3! USER MOD Single : A 87 ASN : amide:sc= 0.497 K(o=0.5,f=-9.5!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 159:sc= 1.26 USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 MET CE :methyl 164:sc= -0.256 (180deg=-0.837) USER MOD Single : A 141 LYS NZ :NH3+ -159:sc= 1.09 (180deg=0.737) USER MOD Single : A 144 GLN : amide:sc= -1 X(o=-1,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 -0.082 3.864 13.975 1.00 3.15 N ATOM 57 CA VAL A 5 -0.300 3.125 12.749 1.00 31.24 C ATOM 58 C VAL A 5 -1.579 3.611 12.074 1.00 40.55 C ATOM 59 O VAL A 5 -2.679 3.465 12.608 1.00 61.33 O ATOM 60 CB VAL A 5 -0.360 1.597 13.006 1.00 54.31 C ATOM 61 CG1 VAL A 5 -1.341 1.262 14.116 1.00 51.40 C ATOM 62 CG2 VAL A 5 -0.725 0.847 11.735 1.00 24.11 C ATOM 0 HA VAL A 5 0.545 3.307 12.086 1.00 31.24 H new ATOM 0 HB VAL A 5 0.633 1.279 13.324 1.00 54.31 H new ATOM 0 HG11 VAL A 5 -1.360 0.183 14.272 1.00 51.40 H new ATOM 0 HG12 VAL A 5 -1.031 1.756 15.037 1.00 51.40 H new ATOM 0 HG13 VAL A 5 -2.337 1.606 13.837 1.00 51.40 H new ATOM 0 HG21 VAL A 5 -0.761 -0.223 11.941 1.00 24.11 H new ATOM 0 HG22 VAL A 5 -1.701 1.181 11.383 1.00 24.11 H new ATOM 0 HG23 VAL A 5 0.024 1.044 10.968 1.00 24.11 H new ATOM 72 N VAL A 6 -1.430 4.222 10.916 1.00 54.12 N ATOM 73 CA VAL A 6 -2.571 4.754 10.196 1.00 4.21 C ATOM 74 C VAL A 6 -3.009 3.769 9.125 1.00 32.12 C ATOM 75 O VAL A 6 -2.250 3.461 8.209 1.00 55.01 O ATOM 76 CB VAL A 6 -2.256 6.122 9.550 1.00 75.43 C ATOM 77 CG1 VAL A 6 -3.478 6.675 8.835 1.00 54.12 C ATOM 78 CG2 VAL A 6 -1.766 7.108 10.600 1.00 73.00 C ATOM 0 H VAL A 6 -0.532 4.363 10.453 1.00 54.12 H new ATOM 0 HA VAL A 6 -3.377 4.903 10.915 1.00 4.21 H new ATOM 0 HB VAL A 6 -1.465 5.976 8.814 1.00 75.43 H new ATOM 0 HG11 VAL A 6 -3.233 7.638 8.388 1.00 54.12 H new ATOM 0 HG12 VAL A 6 -3.788 5.981 8.054 1.00 54.12 H new ATOM 0 HG13 VAL A 6 -4.291 6.803 9.550 1.00 54.12 H new ATOM 0 HG21 VAL A 6 -1.549 8.066 10.127 1.00 73.00 H new ATOM 0 HG22 VAL A 6 -2.537 7.244 11.359 1.00 73.00 H new ATOM 0 HG23 VAL A 6 -0.861 6.721 11.068 1.00 73.00 H new ATOM 88 N ARG A 7 -4.221 3.258 9.258 1.00 43.21 N ATOM 89 CA ARG A 7 -4.742 2.312 8.289 1.00 23.52 C ATOM 90 C ARG A 7 -5.540 3.027 7.210 1.00 15.14 C ATOM 91 O ARG A 7 -6.488 3.763 7.494 1.00 32.43 O ATOM 92 CB ARG A 7 -5.597 1.231 8.963 1.00 4.30 C ATOM 93 CG ARG A 7 -6.716 1.769 9.839 1.00 24.11 C ATOM 94 CD ARG A 7 -7.588 0.641 10.362 1.00 54.41 C ATOM 95 NE ARG A 7 -8.489 1.086 11.425 1.00 2.24 N ATOM 96 CZ ARG A 7 -9.123 0.258 12.261 1.00 61.32 C ATOM 97 NH1 ARG A 7 -9.009 -1.058 12.117 1.00 41.51 N ATOM 98 NH2 ARG A 7 -9.880 0.753 13.233 1.00 33.32 N ATOM 0 H ARG A 7 -4.858 3.481 10.023 1.00 43.21 H new ATOM 0 HA ARG A 7 -3.890 1.820 7.820 1.00 23.52 H new ATOM 0 HB2 ARG A 7 -6.030 0.595 8.191 1.00 4.30 H new ATOM 0 HB3 ARG A 7 -4.949 0.599 9.570 1.00 4.30 H new ATOM 0 HG2 ARG A 7 -6.292 2.324 10.676 1.00 24.11 H new ATOM 0 HG3 ARG A 7 -7.325 2.469 9.268 1.00 24.11 H new ATOM 0 HD2 ARG A 7 -8.174 0.227 9.541 1.00 54.41 H new ATOM 0 HD3 ARG A 7 -6.954 -0.162 10.738 1.00 54.41 H new ATOM 0 HE ARG A 7 -8.643 2.088 11.535 1.00 2.24 H new ATOM 0 HH11 ARG A 7 -8.435 -1.441 11.366 1.00 41.51 H new ATOM 0 HH12 ARG A 7 -9.495 -1.685 12.758 1.00 41.51 H new ATOM 0 HH21 ARG A 7 -9.977 1.763 13.340 1.00 33.32 H new ATOM 0 HH22 ARG A 7 -10.365 0.124 13.872 1.00 33.32 H new ATOM 112 N ASP A 8 -5.128 2.816 5.978 1.00 21.13 N ATOM 113 CA ASP A 8 -5.818 3.360 4.824 1.00 0.01 C ATOM 114 C ASP A 8 -5.776 2.316 3.722 1.00 34.12 C ATOM 115 O ASP A 8 -4.908 1.437 3.736 1.00 11.15 O ATOM 116 CB ASP A 8 -5.156 4.669 4.370 1.00 61.10 C ATOM 117 CG ASP A 8 -6.041 5.484 3.447 1.00 71.02 C ATOM 118 OD1 ASP A 8 -7.249 5.599 3.736 1.00 71.43 O ATOM 119 OD2 ASP A 8 -5.528 6.042 2.454 1.00 31.55 O ATOM 0 H ASP A 8 -4.304 2.262 5.746 1.00 21.13 H new ATOM 0 HA ASP A 8 -6.853 3.593 5.074 1.00 0.01 H new ATOM 0 HB2 ASP A 8 -4.904 5.267 5.246 1.00 61.10 H new ATOM 0 HB3 ASP A 8 -4.220 4.440 3.860 1.00 61.10 H new ATOM 124 N ALA A 9 -6.707 2.368 2.793 1.00 4.12 N ATOM 125 CA ALA A 9 -6.776 1.357 1.754 1.00 72.35 C ATOM 126 C ALA A 9 -7.075 1.987 0.408 1.00 50.41 C ATOM 127 O ALA A 9 -8.023 2.758 0.271 1.00 63.20 O ATOM 128 CB ALA A 9 -7.827 0.308 2.100 1.00 23.03 C ATOM 0 H ALA A 9 -7.422 3.093 2.734 1.00 4.12 H new ATOM 0 HA ALA A 9 -5.805 0.866 1.690 1.00 72.35 H new ATOM 0 HB1 ALA A 9 -7.866 -0.442 1.310 1.00 23.03 H new ATOM 0 HB2 ALA A 9 -7.566 -0.171 3.044 1.00 23.03 H new ATOM 0 HB3 ALA A 9 -8.802 0.787 2.194 1.00 23.03 H new ATOM 134 N VAL A 10 -6.265 1.665 -0.587 1.00 12.40 N ATOM 135 CA VAL A 10 -6.470 2.208 -1.914 1.00 53.44 C ATOM 136 C VAL A 10 -6.941 1.107 -2.850 1.00 21.41 C ATOM 137 O VAL A 10 -6.432 -0.010 -2.820 1.00 65.24 O ATOM 138 CB VAL A 10 -5.197 2.891 -2.476 1.00 61.30 C ATOM 139 CG1 VAL A 10 -4.752 4.012 -1.552 1.00 14.11 C ATOM 140 CG2 VAL A 10 -4.065 1.896 -2.684 1.00 74.13 C ATOM 0 H VAL A 10 -5.467 1.036 -0.500 1.00 12.40 H new ATOM 0 HA VAL A 10 -7.236 2.980 -1.841 1.00 53.44 H new ATOM 0 HB VAL A 10 -5.449 3.308 -3.451 1.00 61.30 H new ATOM 0 HG11 VAL A 10 -3.857 4.484 -1.957 1.00 14.11 H new ATOM 0 HG12 VAL A 10 -5.547 4.753 -1.469 1.00 14.11 H new ATOM 0 HG13 VAL A 10 -4.532 3.604 -0.565 1.00 14.11 H new ATOM 0 HG21 VAL A 10 -3.192 2.416 -3.079 1.00 74.13 H new ATOM 0 HG22 VAL A 10 -3.810 1.430 -1.732 1.00 74.13 H new ATOM 0 HG23 VAL A 10 -4.381 1.128 -3.391 1.00 74.13 H new ATOM 150 N THR A 11 -7.946 1.402 -3.642 1.00 13.23 N ATOM 151 CA THR A 11 -8.489 0.417 -4.548 1.00 54.14 C ATOM 152 C THR A 11 -8.103 0.765 -5.978 1.00 54.34 C ATOM 153 O THR A 11 -8.550 1.773 -6.523 1.00 0.00 O ATOM 154 CB THR A 11 -10.016 0.338 -4.408 1.00 63.35 C ATOM 155 OG1 THR A 11 -10.383 0.565 -3.039 1.00 1.34 O ATOM 156 CG2 THR A 11 -10.522 -1.026 -4.837 1.00 53.14 C ATOM 0 H THR A 11 -8.403 2.313 -3.677 1.00 13.23 H new ATOM 0 HA THR A 11 -8.074 -0.559 -4.297 1.00 54.14 H new ATOM 0 HB THR A 11 -10.463 1.099 -5.048 1.00 63.35 H new ATOM 0 HG1 THR A 11 -11.358 0.516 -2.949 1.00 1.34 H new ATOM 0 HG21 THR A 11 -11.606 -1.062 -4.730 1.00 53.14 H new ATOM 0 HG22 THR A 11 -10.254 -1.203 -5.879 1.00 53.14 H new ATOM 0 HG23 THR A 11 -10.070 -1.795 -4.211 1.00 53.14 H new ATOM 164 N ILE A 12 -7.238 -0.053 -6.560 1.00 33.41 N ATOM 165 CA ILE A 12 -6.695 0.224 -7.883 1.00 52.11 C ATOM 166 C ILE A 12 -7.287 -0.738 -8.904 1.00 63.11 C ATOM 167 O ILE A 12 -7.643 -1.867 -8.563 1.00 51.11 O ATOM 168 CB ILE A 12 -5.156 0.082 -7.915 1.00 51.51 C ATOM 169 CG1 ILE A 12 -4.508 0.709 -6.676 1.00 25.32 C ATOM 170 CG2 ILE A 12 -4.589 0.715 -9.177 1.00 60.11 C ATOM 171 CD1 ILE A 12 -4.796 2.180 -6.505 1.00 41.44 C ATOM 0 H ILE A 12 -6.896 -0.916 -6.136 1.00 33.41 H new ATOM 0 HA ILE A 12 -6.958 1.253 -8.127 1.00 52.11 H new ATOM 0 HB ILE A 12 -4.924 -0.983 -7.915 1.00 51.51 H new ATOM 0 HG12 ILE A 12 -4.855 0.177 -5.790 1.00 25.32 H new ATOM 0 HG13 ILE A 12 -3.429 0.566 -6.732 1.00 25.32 H new ATOM 0 HG21 ILE A 12 -3.504 0.606 -9.183 1.00 60.11 H new ATOM 0 HG22 ILE A 12 -5.008 0.220 -10.053 1.00 60.11 H new ATOM 0 HG23 ILE A 12 -4.847 1.774 -9.201 1.00 60.11 H new ATOM 0 HD11 ILE A 12 -4.301 2.545 -5.605 1.00 41.44 H new ATOM 0 HD12 ILE A 12 -4.424 2.727 -7.371 1.00 41.44 H new ATOM 0 HD13 ILE A 12 -5.872 2.332 -6.415 1.00 41.44 H new ATOM 183 N GLY A 13 -7.389 -0.288 -10.151 1.00 24.12 N ATOM 184 CA GLY A 13 -7.866 -1.145 -11.222 1.00 72.10 C ATOM 185 C GLY A 13 -6.799 -2.117 -11.711 1.00 52.21 C ATOM 186 O GLY A 13 -6.614 -2.292 -12.916 1.00 50.14 O ATOM 0 H GLY A 13 -7.148 0.660 -10.440 1.00 24.12 H new ATOM 0 HA2 GLY A 13 -8.733 -1.707 -10.874 1.00 72.10 H new ATOM 0 HA3 GLY A 13 -8.200 -0.527 -12.056 1.00 72.10 H new ATOM 190 N LYS A 14 -6.095 -2.735 -10.773 1.00 53.14 N ATOM 191 CA LYS A 14 -5.095 -3.752 -11.078 1.00 13.31 C ATOM 192 C LYS A 14 -5.528 -5.049 -10.409 1.00 60.13 C ATOM 193 O LYS A 14 -6.104 -5.007 -9.324 1.00 52.25 O ATOM 194 CB LYS A 14 -3.711 -3.333 -10.558 1.00 73.22 C ATOM 195 CG LYS A 14 -3.161 -2.049 -11.168 1.00 72.24 C ATOM 196 CD LYS A 14 -2.442 -2.289 -12.491 1.00 51.11 C ATOM 197 CE LYS A 14 -1.834 -0.997 -13.027 1.00 24.01 C ATOM 198 NZ LYS A 14 -1.042 -1.203 -14.271 1.00 41.32 N ATOM 0 H LYS A 14 -6.201 -2.546 -9.776 1.00 53.14 H new ATOM 0 HA LYS A 14 -5.019 -3.881 -12.158 1.00 13.31 H new ATOM 0 HB2 LYS A 14 -3.767 -3.210 -9.476 1.00 73.22 H new ATOM 0 HB3 LYS A 14 -3.006 -4.141 -10.751 1.00 73.22 H new ATOM 0 HG2 LYS A 14 -3.979 -1.347 -11.326 1.00 72.24 H new ATOM 0 HG3 LYS A 14 -2.472 -1.583 -10.464 1.00 72.24 H new ATOM 0 HD2 LYS A 14 -1.658 -3.034 -12.353 1.00 51.11 H new ATOM 0 HD3 LYS A 14 -3.142 -2.695 -13.221 1.00 51.11 H new ATOM 0 HE2 LYS A 14 -2.631 -0.280 -13.224 1.00 24.01 H new ATOM 0 HE3 LYS A 14 -1.193 -0.558 -12.262 1.00 24.01 H new ATOM 0 HZ1 LYS A 14 -0.584 -0.310 -14.543 1.00 41.32 H new ATOM 0 HZ2 LYS A 14 -0.316 -1.928 -14.104 1.00 41.32 H new ATOM 0 HZ3 LYS A 14 -1.673 -1.515 -15.037 1.00 41.32 H new ATOM 212 N PRO A 15 -5.259 -6.209 -11.035 1.00 73.30 N ATOM 213 CA PRO A 15 -5.747 -7.507 -10.542 1.00 33.13 C ATOM 214 C PRO A 15 -5.496 -7.728 -9.049 1.00 23.34 C ATOM 215 O PRO A 15 -6.440 -7.936 -8.290 1.00 42.24 O ATOM 216 CB PRO A 15 -4.945 -8.512 -11.370 1.00 51.13 C ATOM 217 CG PRO A 15 -4.650 -7.797 -12.643 1.00 0.31 C ATOM 218 CD PRO A 15 -4.481 -6.348 -12.280 1.00 2.44 C ATOM 0 HA PRO A 15 -6.829 -7.592 -10.647 1.00 33.13 H new ATOM 0 HB2 PRO A 15 -4.028 -8.806 -10.858 1.00 51.13 H new ATOM 0 HB3 PRO A 15 -5.516 -9.423 -11.550 1.00 51.13 H new ATOM 0 HG2 PRO A 15 -3.746 -8.189 -13.110 1.00 0.31 H new ATOM 0 HG3 PRO A 15 -5.461 -7.927 -13.360 1.00 0.31 H new ATOM 0 HD2 PRO A 15 -3.432 -6.093 -12.128 1.00 2.44 H new ATOM 0 HD3 PRO A 15 -4.859 -5.692 -13.064 1.00 2.44 H new ATOM 226 N ALA A 16 -4.226 -7.664 -8.638 1.00 1.34 N ATOM 227 CA ALA A 16 -3.843 -7.793 -7.226 1.00 72.21 C ATOM 228 C ALA A 16 -2.328 -7.843 -7.090 1.00 1.22 C ATOM 229 O ALA A 16 -1.726 -7.065 -6.355 1.00 14.54 O ATOM 230 CB ALA A 16 -4.447 -9.041 -6.591 1.00 72.43 C ATOM 0 H ALA A 16 -3.438 -7.522 -9.269 1.00 1.34 H new ATOM 0 HA ALA A 16 -4.231 -6.918 -6.704 1.00 72.21 H new ATOM 0 HB1 ALA A 16 -4.141 -9.102 -5.547 1.00 72.43 H new ATOM 0 HB2 ALA A 16 -5.534 -8.989 -6.648 1.00 72.43 H new ATOM 0 HB3 ALA A 16 -4.098 -9.926 -7.124 1.00 72.43 H new ATOM 236 N GLU A 17 -1.735 -8.765 -7.837 1.00 25.30 N ATOM 237 CA GLU A 17 -0.297 -9.041 -7.805 1.00 20.20 C ATOM 238 C GLU A 17 0.536 -7.771 -8.016 1.00 14.02 C ATOM 239 O GLU A 17 1.620 -7.619 -7.454 1.00 50.15 O ATOM 240 CB GLU A 17 0.004 -10.064 -8.901 1.00 75.11 C ATOM 241 CG GLU A 17 1.423 -10.599 -8.926 1.00 4.04 C ATOM 242 CD GLU A 17 1.621 -11.553 -10.086 1.00 41.34 C ATOM 243 OE1 GLU A 17 1.916 -11.080 -11.205 1.00 12.31 O ATOM 244 OE2 GLU A 17 1.436 -12.774 -9.900 1.00 34.24 O ATOM 0 H GLU A 17 -2.245 -9.354 -8.495 1.00 25.30 H new ATOM 0 HA GLU A 17 -0.026 -9.430 -6.824 1.00 20.20 H new ATOM 0 HB2 GLU A 17 -0.680 -10.905 -8.786 1.00 75.11 H new ATOM 0 HB3 GLU A 17 -0.210 -9.608 -9.868 1.00 75.11 H new ATOM 0 HG2 GLU A 17 2.127 -9.771 -9.007 1.00 4.04 H new ATOM 0 HG3 GLU A 17 1.640 -11.111 -7.988 1.00 4.04 H new ATOM 251 N GLN A 18 0.002 -6.853 -8.805 1.00 74.25 N ATOM 252 CA GLN A 18 0.718 -5.639 -9.177 1.00 34.53 C ATOM 253 C GLN A 18 0.544 -4.545 -8.124 1.00 15.54 C ATOM 254 O GLN A 18 1.194 -3.502 -8.191 1.00 73.22 O ATOM 255 CB GLN A 18 0.229 -5.129 -10.537 1.00 53.04 C ATOM 256 CG GLN A 18 0.773 -5.889 -11.747 1.00 72.34 C ATOM 257 CD GLN A 18 0.464 -7.376 -11.731 1.00 24.55 C ATOM 258 OE1 GLN A 18 -0.600 -7.805 -12.174 1.00 62.32 O ATOM 259 NE2 GLN A 18 1.405 -8.172 -11.248 1.00 3.22 N ATOM 0 H GLN A 18 -0.934 -6.925 -9.205 1.00 74.25 H new ATOM 0 HA GLN A 18 1.778 -5.886 -9.242 1.00 34.53 H new ATOM 0 HB2 GLN A 18 -0.860 -5.178 -10.556 1.00 53.04 H new ATOM 0 HB3 GLN A 18 0.503 -4.078 -10.634 1.00 53.04 H new ATOM 0 HG2 GLN A 18 0.358 -5.452 -12.655 1.00 72.34 H new ATOM 0 HG3 GLN A 18 1.854 -5.753 -11.793 1.00 72.34 H new ATOM 0 HE21 GLN A 18 2.274 -7.776 -10.890 1.00 3.22 H new ATOM 0 HE22 GLN A 18 1.261 -9.182 -11.234 1.00 3.22 H new ATOM 268 N LEU A 19 -0.338 -4.780 -7.159 1.00 43.43 N ATOM 269 CA LEU A 19 -0.638 -3.779 -6.145 1.00 41.02 C ATOM 270 C LEU A 19 0.431 -3.742 -5.069 1.00 44.23 C ATOM 271 O LEU A 19 0.869 -2.671 -4.670 1.00 54.11 O ATOM 272 CB LEU A 19 -2.006 -4.037 -5.521 1.00 43.31 C ATOM 273 CG LEU A 19 -3.177 -3.911 -6.487 1.00 20.32 C ATOM 274 CD1 LEU A 19 -4.480 -4.239 -5.787 1.00 54.42 C ATOM 275 CD2 LEU A 19 -3.222 -2.511 -7.073 1.00 22.31 C ATOM 0 H LEU A 19 -0.856 -5.653 -7.058 1.00 43.43 H new ATOM 0 HA LEU A 19 -0.654 -2.807 -6.638 1.00 41.02 H new ATOM 0 HB2 LEU A 19 -2.012 -5.039 -5.092 1.00 43.31 H new ATOM 0 HB3 LEU A 19 -2.154 -3.337 -4.698 1.00 43.31 H new ATOM 0 HG LEU A 19 -3.039 -4.624 -7.300 1.00 20.32 H new ATOM 0 HD11 LEU A 19 -5.306 -4.144 -6.492 1.00 54.42 H new ATOM 0 HD12 LEU A 19 -4.442 -5.260 -5.408 1.00 54.42 H new ATOM 0 HD13 LEU A 19 -4.631 -3.549 -4.957 1.00 54.42 H new ATOM 0 HD21 LEU A 19 -4.063 -2.432 -7.762 1.00 22.31 H new ATOM 0 HD22 LEU A 19 -3.342 -1.784 -6.270 1.00 22.31 H new ATOM 0 HD23 LEU A 19 -2.294 -2.311 -7.608 1.00 22.31 H new ATOM 287 N TYR A 20 0.860 -4.907 -4.601 1.00 1.54 N ATOM 288 CA TYR A 20 1.929 -4.948 -3.607 1.00 14.11 C ATOM 289 C TYR A 20 3.250 -4.568 -4.256 1.00 74.33 C ATOM 290 O TYR A 20 4.125 -3.978 -3.631 1.00 55.25 O ATOM 291 CB TYR A 20 2.056 -6.329 -2.954 1.00 15.15 C ATOM 292 CG TYR A 20 3.291 -6.438 -2.083 1.00 32.12 C ATOM 293 CD1 TYR A 20 3.372 -5.754 -0.876 1.00 12.44 C ATOM 294 CD2 TYR A 20 4.389 -7.188 -2.489 1.00 4.35 C ATOM 295 CE1 TYR A 20 4.513 -5.815 -0.098 1.00 74.42 C ATOM 296 CE2 TYR A 20 5.531 -7.259 -1.712 1.00 44.45 C ATOM 297 CZ TYR A 20 5.588 -6.568 -0.521 1.00 1.30 C ATOM 298 OH TYR A 20 6.727 -6.625 0.248 1.00 63.15 O ATOM 0 H TYR A 20 0.496 -5.817 -4.884 1.00 1.54 H new ATOM 0 HA TYR A 20 1.677 -4.233 -2.824 1.00 14.11 H new ATOM 0 HB2 TYR A 20 1.170 -6.527 -2.351 1.00 15.15 H new ATOM 0 HB3 TYR A 20 2.092 -7.094 -3.730 1.00 15.15 H new ATOM 0 HD1 TYR A 20 2.531 -5.166 -0.541 1.00 12.44 H new ATOM 0 HD2 TYR A 20 4.350 -7.724 -3.426 1.00 4.35 H new ATOM 0 HE1 TYR A 20 4.562 -5.276 0.836 1.00 74.42 H new ATOM 0 HE2 TYR A 20 6.373 -7.852 -2.037 1.00 44.45 H new ATOM 0 HH TYR A 20 7.389 -7.199 -0.191 1.00 63.15 H new ATOM 308 N ALA A 21 3.361 -4.883 -5.534 1.00 32.11 N ATOM 309 CA ALA A 21 4.585 -4.672 -6.285 1.00 73.34 C ATOM 310 C ALA A 21 4.922 -3.185 -6.445 1.00 4.24 C ATOM 311 O ALA A 21 5.965 -2.832 -7.004 1.00 22.25 O ATOM 312 CB ALA A 21 4.463 -5.347 -7.632 1.00 41.43 C ATOM 0 H ALA A 21 2.604 -5.293 -6.081 1.00 32.11 H new ATOM 0 HA ALA A 21 5.409 -5.114 -5.725 1.00 73.34 H new ATOM 0 HB1 ALA A 21 5.380 -5.192 -8.201 1.00 41.43 H new ATOM 0 HB2 ALA A 21 4.300 -6.415 -7.490 1.00 41.43 H new ATOM 0 HB3 ALA A 21 3.621 -4.921 -8.178 1.00 41.43 H new ATOM 318 N VAL A 22 4.031 -2.322 -5.962 1.00 35.44 N ATOM 319 CA VAL A 22 4.247 -0.877 -5.981 1.00 51.14 C ATOM 320 C VAL A 22 5.483 -0.487 -5.162 1.00 54.04 C ATOM 321 O VAL A 22 6.070 0.577 -5.372 1.00 53.10 O ATOM 322 CB VAL A 22 3.012 -0.112 -5.445 1.00 21.11 C ATOM 323 CG1 VAL A 22 2.771 -0.413 -3.972 1.00 75.42 C ATOM 324 CG2 VAL A 22 3.164 1.387 -5.673 1.00 5.53 C ATOM 0 H VAL A 22 3.142 -2.603 -5.548 1.00 35.44 H new ATOM 0 HA VAL A 22 4.409 -0.597 -7.022 1.00 51.14 H new ATOM 0 HB VAL A 22 2.140 -0.456 -6.001 1.00 21.11 H new ATOM 0 HG11 VAL A 22 1.897 0.139 -3.626 1.00 75.42 H new ATOM 0 HG12 VAL A 22 2.600 -1.482 -3.842 1.00 75.42 H new ATOM 0 HG13 VAL A 22 3.643 -0.112 -3.392 1.00 75.42 H new ATOM 0 HG21 VAL A 22 2.285 1.904 -5.289 1.00 5.53 H new ATOM 0 HG22 VAL A 22 4.052 1.746 -5.153 1.00 5.53 H new ATOM 0 HG23 VAL A 22 3.264 1.584 -6.740 1.00 5.53 H new ATOM 334 N TRP A 23 5.880 -1.353 -4.231 1.00 72.44 N ATOM 335 CA TRP A 23 7.056 -1.101 -3.401 1.00 5.41 C ATOM 336 C TRP A 23 8.338 -1.117 -4.235 1.00 35.41 C ATOM 337 O TRP A 23 9.404 -0.727 -3.760 1.00 22.44 O ATOM 338 CB TRP A 23 7.145 -2.123 -2.263 1.00 12.32 C ATOM 339 CG TRP A 23 6.116 -1.921 -1.187 1.00 12.33 C ATOM 340 CD1 TRP A 23 4.821 -2.350 -1.196 1.00 21.32 C ATOM 341 CD2 TRP A 23 6.305 -1.244 0.063 1.00 22.31 C ATOM 342 NE1 TRP A 23 4.189 -1.976 -0.035 1.00 23.14 N ATOM 343 CE2 TRP A 23 5.081 -1.298 0.755 1.00 13.41 C ATOM 344 CE3 TRP A 23 7.391 -0.600 0.665 1.00 22.44 C ATOM 345 CZ2 TRP A 23 4.913 -0.730 2.017 1.00 35.43 C ATOM 346 CZ3 TRP A 23 7.222 -0.036 1.915 1.00 41.45 C ATOM 347 CH2 TRP A 23 5.993 -0.106 2.581 1.00 21.04 C ATOM 0 H TRP A 23 5.405 -2.234 -4.033 1.00 72.44 H new ATOM 0 HA TRP A 23 6.949 -0.107 -2.968 1.00 5.41 H new ATOM 0 HB2 TRP A 23 7.033 -3.125 -2.677 1.00 12.32 H new ATOM 0 HB3 TRP A 23 8.138 -2.072 -1.817 1.00 12.32 H new ATOM 0 HD1 TRP A 23 4.359 -2.904 -2.000 1.00 21.32 H new ATOM 0 HE1 TRP A 23 3.216 -2.171 0.201 1.00 23.14 H new ATOM 0 HE3 TRP A 23 8.345 -0.545 0.162 1.00 22.44 H new ATOM 0 HZ2 TRP A 23 3.965 -0.780 2.531 1.00 35.43 H new ATOM 0 HZ3 TRP A 23 8.053 0.468 2.386 1.00 41.45 H new ATOM 0 HH2 TRP A 23 5.895 0.341 3.559 1.00 21.04 H new ATOM 358 N ARG A 24 8.232 -1.563 -5.482 1.00 75.13 N ATOM 359 CA ARG A 24 9.354 -1.500 -6.405 1.00 12.23 C ATOM 360 C ARG A 24 8.930 -0.930 -7.754 1.00 41.04 C ATOM 361 O ARG A 24 9.067 0.269 -7.993 1.00 23.44 O ATOM 362 CB ARG A 24 10.020 -2.871 -6.579 1.00 14.32 C ATOM 363 CG ARG A 24 11.134 -3.128 -5.574 1.00 12.13 C ATOM 364 CD ARG A 24 12.273 -2.127 -5.740 1.00 63.22 C ATOM 365 NE ARG A 24 13.029 -2.341 -6.979 1.00 32.14 N ATOM 366 CZ ARG A 24 12.950 -1.558 -8.060 1.00 42.05 C ATOM 367 NH1 ARG A 24 12.201 -0.457 -8.043 1.00 53.40 N ATOM 368 NH2 ARG A 24 13.658 -1.857 -9.142 1.00 74.11 N ATOM 0 H ARG A 24 7.383 -1.970 -5.874 1.00 75.13 H new ATOM 0 HA ARG A 24 10.091 -0.825 -5.970 1.00 12.23 H new ATOM 0 HB2 ARG A 24 9.264 -3.650 -6.481 1.00 14.32 H new ATOM 0 HB3 ARG A 24 10.425 -2.945 -7.588 1.00 14.32 H new ATOM 0 HG2 ARG A 24 10.735 -3.064 -4.562 1.00 12.13 H new ATOM 0 HG3 ARG A 24 11.516 -4.141 -5.702 1.00 12.13 H new ATOM 0 HD2 ARG A 24 11.868 -1.115 -5.735 1.00 63.22 H new ATOM 0 HD3 ARG A 24 12.948 -2.204 -4.888 1.00 63.22 H new ATOM 0 HE ARG A 24 13.658 -3.143 -7.019 1.00 32.14 H new ATOM 0 HH11 ARG A 24 11.682 -0.206 -7.201 1.00 53.40 H new ATOM 0 HH12 ARG A 24 12.146 0.135 -8.872 1.00 53.40 H new ATOM 0 HH21 ARG A 24 14.259 -2.681 -9.147 1.00 74.11 H new ATOM 0 HH22 ARG A 24 13.601 -1.263 -9.969 1.00 74.11 H new ATOM 382 N ASP A 25 8.403 -1.777 -8.633 1.00 20.51 N ATOM 383 CA ASP A 25 8.030 -1.331 -9.974 1.00 23.40 C ATOM 384 C ASP A 25 7.165 -2.376 -10.669 1.00 12.21 C ATOM 385 O ASP A 25 7.234 -2.532 -11.884 1.00 72.23 O ATOM 386 CB ASP A 25 9.288 -1.072 -10.807 1.00 3.44 C ATOM 387 CG ASP A 25 9.045 -0.089 -11.934 1.00 44.30 C ATOM 388 OD1 ASP A 25 9.062 1.132 -11.668 1.00 13.55 O ATOM 389 OD2 ASP A 25 8.862 -0.524 -13.091 1.00 64.23 O ATOM 0 H ASP A 25 8.226 -2.764 -8.446 1.00 20.51 H new ATOM 0 HA ASP A 25 7.458 -0.408 -9.881 1.00 23.40 H new ATOM 0 HB2 ASP A 25 10.077 -0.689 -10.159 1.00 3.44 H new ATOM 0 HB3 ASP A 25 9.646 -2.014 -11.222 1.00 3.44 H new ATOM 394 N LEU A 26 6.349 -3.074 -9.877 1.00 42.01 N ATOM 395 CA LEU A 26 5.479 -4.156 -10.367 1.00 42.21 C ATOM 396 C LEU A 26 6.203 -5.095 -11.339 1.00 72.45 C ATOM 397 O LEU A 26 5.951 -5.086 -12.541 1.00 72.53 O ATOM 398 CB LEU A 26 4.160 -3.615 -10.965 1.00 21.52 C ATOM 399 CG LEU A 26 4.277 -2.461 -11.966 1.00 4.42 C ATOM 400 CD1 LEU A 26 3.946 -2.929 -13.375 1.00 63.41 C ATOM 401 CD2 LEU A 26 3.367 -1.313 -11.556 1.00 72.22 C ATOM 0 H LEU A 26 6.269 -2.908 -8.874 1.00 42.01 H new ATOM 0 HA LEU A 26 5.213 -4.754 -9.496 1.00 42.21 H new ATOM 0 HB2 LEU A 26 3.646 -4.441 -11.457 1.00 21.52 H new ATOM 0 HB3 LEU A 26 3.523 -3.288 -10.143 1.00 21.52 H new ATOM 0 HG LEU A 26 5.308 -2.107 -11.962 1.00 4.42 H new ATOM 0 HD11 LEU A 26 4.036 -2.092 -14.067 1.00 63.41 H new ATOM 0 HD12 LEU A 26 4.638 -3.718 -13.668 1.00 63.41 H new ATOM 0 HD13 LEU A 26 2.926 -3.313 -13.401 1.00 63.41 H new ATOM 0 HD21 LEU A 26 3.460 -0.500 -12.276 1.00 72.22 H new ATOM 0 HD22 LEU A 26 2.334 -1.659 -11.531 1.00 72.22 H new ATOM 0 HD23 LEU A 26 3.654 -0.956 -10.567 1.00 72.22 H new ATOM 413 N PRO A 27 7.126 -5.923 -10.818 1.00 32.25 N ATOM 414 CA PRO A 27 7.909 -6.841 -11.635 1.00 71.10 C ATOM 415 C PRO A 27 7.199 -8.174 -11.853 1.00 11.42 C ATOM 416 O PRO A 27 6.026 -8.334 -11.505 1.00 71.00 O ATOM 417 CB PRO A 27 9.172 -7.029 -10.795 1.00 35.24 C ATOM 418 CG PRO A 27 8.706 -6.918 -9.381 1.00 14.20 C ATOM 419 CD PRO A 27 7.477 -6.039 -9.390 1.00 31.24 C ATOM 0 HA PRO A 27 8.092 -6.460 -12.640 1.00 71.10 H new ATOM 0 HB2 PRO A 27 9.633 -7.998 -10.985 1.00 35.24 H new ATOM 0 HB3 PRO A 27 9.919 -6.269 -11.027 1.00 35.24 H new ATOM 0 HG2 PRO A 27 8.474 -7.902 -8.973 1.00 14.20 H new ATOM 0 HG3 PRO A 27 9.484 -6.487 -8.751 1.00 14.20 H new ATOM 0 HD2 PRO A 27 6.665 -6.484 -8.815 1.00 31.24 H new ATOM 0 HD3 PRO A 27 7.682 -5.063 -8.950 1.00 31.24 H new ATOM 998 N ALA A 64 16.943 -8.712 3.602 1.00 62.53 N ATOM 999 CA ALA A 64 15.634 -8.874 4.212 1.00 34.43 C ATOM 1000 C ALA A 64 14.833 -9.941 3.476 1.00 61.23 C ATOM 1001 O ALA A 64 14.961 -10.098 2.258 1.00 5.25 O ATOM 1002 CB ALA A 64 14.879 -7.554 4.215 1.00 63.40 C ATOM 0 HA ALA A 64 15.773 -9.194 5.245 1.00 34.43 H new ATOM 0 HB1 ALA A 64 13.901 -7.695 4.676 1.00 63.40 H new ATOM 0 HB2 ALA A 64 15.443 -6.813 4.781 1.00 63.40 H new ATOM 0 HB3 ALA A 64 14.750 -7.206 3.190 1.00 63.40 H new ATOM 1008 N GLU A 65 14.020 -10.678 4.218 1.00 14.35 N ATOM 1009 CA GLU A 65 13.198 -11.731 3.636 1.00 60.23 C ATOM 1010 C GLU A 65 11.725 -11.330 3.614 1.00 14.21 C ATOM 1011 O GLU A 65 11.284 -10.504 4.411 1.00 72.23 O ATOM 1012 CB GLU A 65 13.364 -13.031 4.430 1.00 24.44 C ATOM 1013 CG GLU A 65 12.936 -12.912 5.885 1.00 42.53 C ATOM 1014 CD GLU A 65 13.022 -14.226 6.631 1.00 64.21 C ATOM 1015 OE1 GLU A 65 12.320 -15.182 6.240 1.00 0.34 O ATOM 1016 OE2 GLU A 65 13.787 -14.307 7.611 1.00 62.33 O ATOM 0 H GLU A 65 13.911 -10.567 5.226 1.00 14.35 H new ATOM 0 HA GLU A 65 13.530 -11.887 2.610 1.00 60.23 H new ATOM 0 HB2 GLU A 65 12.780 -13.817 3.951 1.00 24.44 H new ATOM 0 HB3 GLU A 65 14.408 -13.341 4.391 1.00 24.44 H new ATOM 0 HG2 GLU A 65 13.564 -12.174 6.384 1.00 42.53 H new ATOM 0 HG3 GLU A 65 11.912 -12.541 5.929 1.00 42.53 H new ATOM 1023 N LEU A 66 10.973 -11.917 2.695 1.00 75.13 N ATOM 1024 CA LEU A 66 9.534 -11.701 2.618 1.00 5.11 C ATOM 1025 C LEU A 66 8.819 -13.025 2.854 1.00 45.42 C ATOM 1026 O LEU A 66 9.062 -13.998 2.138 1.00 2.33 O ATOM 1027 CB LEU A 66 9.164 -11.132 1.246 1.00 34.55 C ATOM 1028 CG LEU A 66 7.700 -10.741 1.054 1.00 20.42 C ATOM 1029 CD1 LEU A 66 7.316 -9.624 2.012 1.00 22.24 C ATOM 1030 CD2 LEU A 66 7.459 -10.315 -0.386 1.00 21.02 C ATOM 0 H LEU A 66 11.339 -12.552 1.986 1.00 75.13 H new ATOM 0 HA LEU A 66 9.228 -10.985 3.381 1.00 5.11 H new ATOM 0 HB2 LEU A 66 9.781 -10.253 1.061 1.00 34.55 H new ATOM 0 HB3 LEU A 66 9.425 -11.870 0.487 1.00 34.55 H new ATOM 0 HG LEU A 66 7.075 -11.607 1.272 1.00 20.42 H new ATOM 0 HD11 LEU A 66 6.270 -9.359 1.861 1.00 22.24 H new ATOM 0 HD12 LEU A 66 7.460 -9.960 3.039 1.00 22.24 H new ATOM 0 HD13 LEU A 66 7.942 -8.752 1.824 1.00 22.24 H new ATOM 0 HD21 LEU A 66 6.412 -10.038 -0.513 1.00 21.02 H new ATOM 0 HD22 LEU A 66 8.092 -9.460 -0.623 1.00 21.02 H new ATOM 0 HD23 LEU A 66 7.700 -11.141 -1.055 1.00 21.02 H new ATOM 1042 N THR A 67 7.944 -13.071 3.848 1.00 32.14 N ATOM 1043 CA THR A 67 7.347 -14.338 4.254 1.00 31.01 C ATOM 1044 C THR A 67 6.143 -14.712 3.384 1.00 23.54 C ATOM 1045 O THR A 67 5.797 -15.890 3.265 1.00 54.15 O ATOM 1046 CB THR A 67 6.942 -14.320 5.747 1.00 70.30 C ATOM 1047 OG1 THR A 67 6.476 -15.610 6.156 1.00 43.31 O ATOM 1048 CG2 THR A 67 5.867 -13.285 6.013 1.00 2.11 C ATOM 0 H THR A 67 7.634 -12.259 4.382 1.00 32.14 H new ATOM 0 HA THR A 67 8.112 -15.101 4.112 1.00 31.01 H new ATOM 0 HB THR A 67 7.828 -14.056 6.324 1.00 70.30 H new ATOM 0 HG1 THR A 67 6.225 -15.582 7.103 1.00 43.31 H new ATOM 0 HG21 THR A 67 5.604 -13.297 7.071 1.00 2.11 H new ATOM 0 HG22 THR A 67 6.239 -12.297 5.743 1.00 2.11 H new ATOM 0 HG23 THR A 67 4.984 -13.516 5.417 1.00 2.11 H new ATOM 1056 N ALA A 68 5.527 -13.726 2.746 1.00 23.15 N ATOM 1057 CA ALA A 68 4.349 -13.990 1.931 1.00 14.04 C ATOM 1058 C ALA A 68 4.468 -13.309 0.578 1.00 20.15 C ATOM 1059 O ALA A 68 4.812 -12.133 0.497 1.00 72.00 O ATOM 1060 CB ALA A 68 3.087 -13.544 2.652 1.00 61.33 C ATOM 0 H ALA A 68 5.818 -12.749 2.776 1.00 23.15 H new ATOM 0 HA ALA A 68 4.283 -15.065 1.764 1.00 14.04 H new ATOM 0 HB1 ALA A 68 2.218 -13.750 2.026 1.00 61.33 H new ATOM 0 HB2 ALA A 68 2.994 -14.087 3.592 1.00 61.33 H new ATOM 0 HB3 ALA A 68 3.143 -12.474 2.855 1.00 61.33 H new ATOM 1066 N ASP A 69 4.183 -14.062 -0.473 1.00 10.12 N ATOM 1067 CA ASP A 69 4.332 -13.574 -1.838 1.00 31.31 C ATOM 1068 C ASP A 69 3.167 -14.038 -2.710 1.00 62.32 C ATOM 1069 O ASP A 69 3.343 -14.404 -3.875 1.00 53.15 O ATOM 1070 CB ASP A 69 5.666 -14.061 -2.422 1.00 54.31 C ATOM 1071 CG ASP A 69 5.817 -15.572 -2.381 1.00 31.23 C ATOM 1072 OD1 ASP A 69 6.144 -16.115 -1.303 1.00 22.42 O ATOM 1073 OD2 ASP A 69 5.640 -16.224 -3.425 1.00 13.32 O ATOM 0 H ASP A 69 3.844 -15.022 -0.407 1.00 10.12 H new ATOM 0 HA ASP A 69 4.328 -12.484 -1.821 1.00 31.31 H new ATOM 0 HB2 ASP A 69 5.750 -13.721 -3.454 1.00 54.31 H new ATOM 0 HB3 ASP A 69 6.487 -13.604 -1.869 1.00 54.31 H new ATOM 1078 N GLU A 70 1.964 -13.997 -2.147 1.00 42.44 N ATOM 1079 CA GLU A 70 0.775 -14.435 -2.864 1.00 2.22 C ATOM 1080 C GLU A 70 0.300 -13.329 -3.805 1.00 40.35 C ATOM 1081 O GLU A 70 0.386 -12.151 -3.470 1.00 51.03 O ATOM 1082 CB GLU A 70 -0.324 -14.784 -1.858 1.00 64.11 C ATOM 1083 CG GLU A 70 0.086 -15.839 -0.842 1.00 35.22 C ATOM 1084 CD GLU A 70 0.150 -17.233 -1.432 1.00 73.02 C ATOM 1085 OE1 GLU A 70 0.901 -17.444 -2.406 1.00 75.35 O ATOM 1086 OE2 GLU A 70 -0.561 -18.129 -0.928 1.00 41.41 O ATOM 0 H GLU A 70 1.788 -13.666 -1.199 1.00 42.44 H new ATOM 0 HA GLU A 70 1.011 -15.319 -3.457 1.00 2.22 H new ATOM 0 HB2 GLU A 70 -0.620 -13.878 -1.328 1.00 64.11 H new ATOM 0 HB3 GLU A 70 -1.201 -15.137 -2.400 1.00 64.11 H new ATOM 0 HG2 GLU A 70 1.061 -15.579 -0.430 1.00 35.22 H new ATOM 0 HG3 GLU A 70 -0.622 -15.833 -0.014 1.00 35.22 H new ATOM 1093 N PRO A 71 -0.208 -13.690 -4.992 1.00 20.23 N ATOM 1094 CA PRO A 71 -0.663 -12.711 -5.989 1.00 24.34 C ATOM 1095 C PRO A 71 -1.863 -11.900 -5.507 1.00 25.31 C ATOM 1096 O PRO A 71 -1.827 -10.671 -5.478 1.00 21.31 O ATOM 1097 CB PRO A 71 -1.057 -13.572 -7.196 1.00 34.20 C ATOM 1098 CG PRO A 71 -0.417 -14.898 -6.960 1.00 45.32 C ATOM 1099 CD PRO A 71 -0.363 -15.069 -5.470 1.00 13.11 C ATOM 0 HA PRO A 71 0.111 -11.976 -6.208 1.00 24.34 H new ATOM 0 HB2 PRO A 71 -2.140 -13.667 -7.275 1.00 34.20 H new ATOM 0 HB3 PRO A 71 -0.707 -13.127 -8.127 1.00 34.20 H new ATOM 0 HG2 PRO A 71 -0.993 -15.698 -7.424 1.00 45.32 H new ATOM 0 HG3 PRO A 71 0.582 -14.932 -7.394 1.00 45.32 H new ATOM 0 HD2 PRO A 71 -1.270 -15.532 -5.083 1.00 13.11 H new ATOM 0 HD3 PRO A 71 0.472 -15.700 -5.165 1.00 13.11 H new ATOM 1107 N GLY A 72 -2.923 -12.595 -5.124 1.00 1.52 N ATOM 1108 CA GLY A 72 -4.116 -11.927 -4.645 1.00 64.01 C ATOM 1109 C GLY A 72 -4.649 -12.564 -3.384 1.00 60.23 C ATOM 1110 O GLY A 72 -5.750 -13.110 -3.373 1.00 72.40 O ATOM 0 H GLY A 72 -2.979 -13.613 -5.136 1.00 1.52 H new ATOM 0 HA2 GLY A 72 -3.893 -10.877 -4.455 1.00 64.01 H new ATOM 0 HA3 GLY A 72 -4.883 -11.955 -5.419 1.00 64.01 H new ATOM 1114 N LYS A 73 -3.861 -12.494 -2.326 1.00 64.54 N ATOM 1115 CA LYS A 73 -4.206 -13.123 -1.064 1.00 65.41 C ATOM 1116 C LYS A 73 -3.735 -12.251 0.097 1.00 34.34 C ATOM 1117 O LYS A 73 -4.529 -11.506 0.676 1.00 34.34 O ATOM 1118 CB LYS A 73 -3.589 -14.524 -1.019 1.00 33.35 C ATOM 1119 CG LYS A 73 -3.739 -15.266 0.296 1.00 44.54 C ATOM 1120 CD LYS A 73 -3.182 -16.672 0.157 1.00 10.02 C ATOM 1121 CE LYS A 73 -2.821 -17.293 1.492 1.00 13.33 C ATOM 1122 NZ LYS A 73 -2.086 -18.575 1.309 1.00 63.04 N ATOM 0 H LYS A 73 -2.968 -12.002 -2.317 1.00 64.54 H new ATOM 0 HA LYS A 73 -5.287 -13.225 -0.974 1.00 65.41 H new ATOM 0 HB2 LYS A 73 -4.040 -15.125 -1.808 1.00 33.35 H new ATOM 0 HB3 LYS A 73 -2.527 -14.441 -1.249 1.00 33.35 H new ATOM 0 HG2 LYS A 73 -3.213 -14.733 1.088 1.00 44.54 H new ATOM 0 HG3 LYS A 73 -4.790 -15.307 0.583 1.00 44.54 H new ATOM 0 HD2 LYS A 73 -3.917 -17.301 -0.345 1.00 10.02 H new ATOM 0 HD3 LYS A 73 -2.297 -16.647 -0.478 1.00 10.02 H new ATOM 0 HE2 LYS A 73 -2.208 -16.598 2.065 1.00 13.33 H new ATOM 0 HE3 LYS A 73 -3.728 -17.470 2.071 1.00 13.33 H new ATOM 0 HZ1 LYS A 73 -1.606 -18.830 2.196 1.00 63.04 H new ATOM 0 HZ2 LYS A 73 -2.757 -19.326 1.050 1.00 63.04 H new ATOM 0 HZ3 LYS A 73 -1.380 -18.466 0.553 1.00 63.04 H new ATOM 1136 N ARG A 74 -2.444 -12.306 0.412 1.00 62.24 N ATOM 1137 CA ARG A 74 -1.887 -11.447 1.449 1.00 73.22 C ATOM 1138 C ARG A 74 -0.368 -11.484 1.418 1.00 30.12 C ATOM 1139 O ARG A 74 0.231 -12.501 1.064 1.00 2.30 O ATOM 1140 CB ARG A 74 -2.383 -11.848 2.848 1.00 4.33 C ATOM 1141 CG ARG A 74 -1.843 -13.177 3.346 1.00 31.42 C ATOM 1142 CD ARG A 74 -2.193 -13.397 4.807 1.00 4.45 C ATOM 1143 NE ARG A 74 -1.614 -14.629 5.336 1.00 42.42 N ATOM 1144 CZ ARG A 74 -0.793 -14.673 6.384 1.00 43.22 C ATOM 1145 NH1 ARG A 74 -0.407 -13.550 6.982 1.00 14.51 N ATOM 1146 NH2 ARG A 74 -0.352 -15.841 6.826 1.00 24.44 N ATOM 0 H ARG A 74 -1.771 -12.930 -0.032 1.00 62.24 H new ATOM 0 HA ARG A 74 -2.229 -10.433 1.243 1.00 73.22 H new ATOM 0 HB2 ARG A 74 -2.105 -11.068 3.557 1.00 4.33 H new ATOM 0 HB3 ARG A 74 -3.472 -11.894 2.835 1.00 4.33 H new ATOM 0 HG2 ARG A 74 -2.253 -13.988 2.745 1.00 31.42 H new ATOM 0 HG3 ARG A 74 -0.761 -13.203 3.220 1.00 31.42 H new ATOM 0 HD2 ARG A 74 -1.839 -12.550 5.395 1.00 4.45 H new ATOM 0 HD3 ARG A 74 -3.277 -13.431 4.918 1.00 4.45 H new ATOM 0 HE ARG A 74 -1.852 -15.508 4.876 1.00 42.42 H new ATOM 0 HH11 ARG A 74 -0.740 -12.649 6.639 1.00 14.51 H new ATOM 0 HH12 ARG A 74 0.222 -13.589 7.784 1.00 14.51 H new ATOM 0 HH21 ARG A 74 -0.641 -16.703 6.364 1.00 24.44 H new ATOM 0 HH22 ARG A 74 0.277 -15.878 7.628 1.00 24.44 H new ATOM 1160 N ILE A 75 0.242 -10.363 1.769 1.00 72.34 N ATOM 1161 CA ILE A 75 1.689 -10.278 1.887 1.00 54.53 C ATOM 1162 C ILE A 75 2.069 -9.823 3.289 1.00 65.43 C ATOM 1163 O ILE A 75 1.722 -8.720 3.710 1.00 11.20 O ATOM 1164 CB ILE A 75 2.333 -9.321 0.845 1.00 25.23 C ATOM 1165 CG1 ILE A 75 2.372 -9.959 -0.549 1.00 14.14 C ATOM 1166 CG2 ILE A 75 3.743 -8.926 1.271 1.00 21.34 C ATOM 1167 CD1 ILE A 75 1.036 -10.012 -1.252 1.00 43.50 C ATOM 0 H ILE A 75 -0.247 -9.493 1.979 1.00 72.34 H new ATOM 0 HA ILE A 75 2.076 -11.278 1.689 1.00 54.53 H new ATOM 0 HB ILE A 75 1.712 -8.426 0.798 1.00 25.23 H new ATOM 0 HG12 ILE A 75 3.073 -9.402 -1.170 1.00 14.14 H new ATOM 0 HG13 ILE A 75 2.762 -10.973 -0.460 1.00 14.14 H new ATOM 0 HG21 ILE A 75 4.174 -8.256 0.527 1.00 21.34 H new ATOM 0 HG22 ILE A 75 3.703 -8.419 2.235 1.00 21.34 H new ATOM 0 HG23 ILE A 75 4.361 -9.820 1.356 1.00 21.34 H new ATOM 0 HD11 ILE A 75 1.158 -10.478 -2.230 1.00 43.50 H new ATOM 0 HD12 ILE A 75 0.334 -10.596 -0.656 1.00 43.50 H new ATOM 0 HD13 ILE A 75 0.651 -9.000 -1.378 1.00 43.50 H new ATOM 1179 N ALA A 76 2.763 -10.683 4.013 1.00 13.33 N ATOM 1180 CA ALA A 76 3.250 -10.344 5.338 1.00 42.11 C ATOM 1181 C ALA A 76 4.742 -10.049 5.280 1.00 51.42 C ATOM 1182 O ALA A 76 5.464 -10.623 4.463 1.00 34.23 O ATOM 1183 CB ALA A 76 2.953 -11.461 6.327 1.00 41.13 C ATOM 0 H ALA A 76 3.003 -11.625 3.704 1.00 13.33 H new ATOM 0 HA ALA A 76 2.731 -9.451 5.685 1.00 42.11 H new ATOM 0 HB1 ALA A 76 3.327 -11.184 7.312 1.00 41.13 H new ATOM 0 HB2 ALA A 76 1.876 -11.623 6.380 1.00 41.13 H new ATOM 0 HB3 ALA A 76 3.442 -12.378 5.998 1.00 41.13 H new ATOM 1189 N TRP A 77 5.199 -9.169 6.150 1.00 41.44 N ATOM 1190 CA TRP A 77 6.569 -8.681 6.104 1.00 43.41 C ATOM 1191 C TRP A 77 7.487 -9.484 7.015 1.00 63.31 C ATOM 1192 O TRP A 77 7.052 -10.051 8.013 1.00 44.31 O ATOM 1193 CB TRP A 77 6.602 -7.213 6.531 1.00 20.33 C ATOM 1194 CG TRP A 77 6.208 -7.021 7.971 1.00 34.20 C ATOM 1195 CD1 TRP A 77 4.947 -7.076 8.494 1.00 11.12 C ATOM 1196 CD2 TRP A 77 7.087 -6.756 9.072 1.00 72.05 C ATOM 1197 NE1 TRP A 77 4.989 -6.880 9.855 1.00 21.44 N ATOM 1198 CE2 TRP A 77 6.292 -6.673 10.232 1.00 3.42 C ATOM 1199 CE3 TRP A 77 8.472 -6.585 9.192 1.00 54.24 C ATOM 1200 CZ2 TRP A 77 6.836 -6.426 11.491 1.00 20.32 C ATOM 1201 CZ3 TRP A 77 9.009 -6.337 10.441 1.00 72.32 C ATOM 1202 CH2 TRP A 77 8.193 -6.261 11.577 1.00 73.21 C ATOM 0 H TRP A 77 4.638 -8.773 6.904 1.00 41.44 H new ATOM 0 HA TRP A 77 6.926 -8.790 5.080 1.00 43.41 H new ATOM 0 HB2 TRP A 77 7.605 -6.816 6.376 1.00 20.33 H new ATOM 0 HB3 TRP A 77 5.930 -6.638 5.894 1.00 20.33 H new ATOM 0 HD1 TRP A 77 4.047 -7.248 7.922 1.00 11.12 H new ATOM 0 HE1 TRP A 77 4.184 -6.887 10.481 1.00 21.44 H new ATOM 0 HE3 TRP A 77 9.110 -6.646 8.323 1.00 54.24 H new ATOM 0 HZ2 TRP A 77 6.209 -6.367 12.369 1.00 20.32 H new ATOM 0 HZ3 TRP A 77 10.075 -6.200 10.543 1.00 72.32 H new ATOM 0 HH2 TRP A 77 8.643 -6.068 12.540 1.00 73.21 H new ATOM 1213 N ARG A 78 8.757 -9.520 6.649 1.00 55.05 N ATOM 1214 CA ARG A 78 9.811 -10.048 7.501 1.00 44.22 C ATOM 1215 C ARG A 78 11.060 -9.215 7.276 1.00 72.20 C ATOM 1216 O ARG A 78 11.067 -8.338 6.410 1.00 43.34 O ATOM 1217 CB ARG A 78 10.095 -11.530 7.218 1.00 24.14 C ATOM 1218 CG ARG A 78 9.024 -12.485 7.728 1.00 74.11 C ATOM 1219 CD ARG A 78 8.808 -12.342 9.229 1.00 12.52 C ATOM 1220 NE ARG A 78 7.847 -13.320 9.748 1.00 31.41 N ATOM 1221 CZ ARG A 78 6.563 -13.050 10.004 1.00 40.12 C ATOM 1222 NH1 ARG A 78 6.059 -11.860 9.705 1.00 54.54 N ATOM 1223 NH2 ARG A 78 5.782 -13.977 10.543 1.00 5.41 N ATOM 0 H ARG A 78 9.089 -9.181 5.746 1.00 55.05 H new ATOM 0 HA ARG A 78 9.490 -9.987 8.541 1.00 44.22 H new ATOM 0 HB2 ARG A 78 10.204 -11.667 6.142 1.00 24.14 H new ATOM 0 HB3 ARG A 78 11.049 -11.798 7.672 1.00 24.14 H new ATOM 0 HG2 ARG A 78 8.087 -12.293 7.206 1.00 74.11 H new ATOM 0 HG3 ARG A 78 9.312 -13.511 7.498 1.00 74.11 H new ATOM 0 HD2 ARG A 78 9.761 -12.463 9.744 1.00 12.52 H new ATOM 0 HD3 ARG A 78 8.453 -11.335 9.449 1.00 12.52 H new ATOM 0 HE ARG A 78 8.180 -14.268 9.925 1.00 31.41 H new ATOM 0 HH11 ARG A 78 6.652 -11.148 9.278 1.00 54.54 H new ATOM 0 HH12 ARG A 78 5.079 -11.657 9.902 1.00 54.54 H new ATOM 0 HH21 ARG A 78 6.161 -14.898 10.763 1.00 5.41 H new ATOM 0 HH22 ARG A 78 4.803 -13.769 10.737 1.00 5.41 H new ATOM 1237 N SER A 79 12.101 -9.448 8.053 1.00 44.35 N ATOM 1238 CA SER A 79 13.324 -8.673 7.912 1.00 74.11 C ATOM 1239 C SER A 79 14.533 -9.505 8.308 1.00 34.42 C ATOM 1240 O SER A 79 15.589 -8.959 8.636 1.00 21.22 O ATOM 1241 CB SER A 79 13.247 -7.421 8.787 1.00 41.04 C ATOM 1242 OG SER A 79 12.026 -6.729 8.592 1.00 72.22 O ATOM 0 H SER A 79 12.127 -10.160 8.783 1.00 44.35 H new ATOM 0 HA SER A 79 13.432 -8.379 6.868 1.00 74.11 H new ATOM 0 HB2 SER A 79 13.345 -7.702 9.836 1.00 41.04 H new ATOM 0 HB3 SER A 79 14.082 -6.761 8.555 1.00 41.04 H new ATOM 0 HG SER A 79 11.384 -6.997 9.282 1.00 72.22 H new ATOM 1248 N LEU A 80 14.374 -10.831 8.244 1.00 3.14 N ATOM 1249 CA LEU A 80 15.384 -11.768 8.728 1.00 4.52 C ATOM 1250 C LEU A 80 15.532 -11.649 10.252 1.00 14.21 C ATOM 1251 O LEU A 80 15.149 -10.642 10.848 1.00 62.45 O ATOM 1252 CB LEU A 80 16.735 -11.523 8.031 1.00 34.14 C ATOM 1253 CG LEU A 80 16.761 -11.782 6.521 1.00 13.02 C ATOM 1254 CD1 LEU A 80 18.065 -11.305 5.931 1.00 40.20 C ATOM 1255 CD2 LEU A 80 16.577 -13.257 6.221 1.00 54.24 C ATOM 0 H LEU A 80 13.544 -11.280 7.856 1.00 3.14 H new ATOM 0 HA LEU A 80 15.059 -12.780 8.488 1.00 4.52 H new ATOM 0 HB2 LEU A 80 17.032 -10.490 8.209 1.00 34.14 H new ATOM 0 HB3 LEU A 80 17.486 -12.157 8.503 1.00 34.14 H new ATOM 0 HG LEU A 80 15.937 -11.229 6.071 1.00 13.02 H new ATOM 0 HD11 LEU A 80 18.070 -11.495 4.858 1.00 40.20 H new ATOM 0 HD12 LEU A 80 18.176 -10.236 6.111 1.00 40.20 H new ATOM 0 HD13 LEU A 80 18.893 -11.839 6.398 1.00 40.20 H new ATOM 0 HD21 LEU A 80 16.599 -13.415 5.143 1.00 54.24 H new ATOM 0 HD22 LEU A 80 17.381 -13.826 6.687 1.00 54.24 H new ATOM 0 HD23 LEU A 80 15.618 -13.592 6.617 1.00 54.24 H new ATOM 1267 N PRO A 81 16.056 -12.686 10.916 1.00 23.32 N ATOM 1268 CA PRO A 81 16.261 -12.677 12.374 1.00 51.33 C ATOM 1269 C PRO A 81 17.336 -11.687 12.827 1.00 71.12 C ATOM 1270 O PRO A 81 17.693 -11.641 14.006 1.00 55.24 O ATOM 1271 CB PRO A 81 16.710 -14.109 12.689 1.00 25.41 C ATOM 1272 CG PRO A 81 16.345 -14.911 11.486 1.00 42.22 C ATOM 1273 CD PRO A 81 16.446 -13.972 10.323 1.00 72.34 C ATOM 0 HA PRO A 81 15.354 -12.367 12.892 1.00 51.33 H new ATOM 0 HB2 PRO A 81 17.782 -14.152 12.879 1.00 25.41 H new ATOM 0 HB3 PRO A 81 16.212 -14.490 13.581 1.00 25.41 H new ATOM 0 HG2 PRO A 81 17.018 -15.760 11.363 1.00 42.22 H new ATOM 0 HG3 PRO A 81 15.336 -15.314 11.576 1.00 42.22 H new ATOM 0 HD2 PRO A 81 17.456 -13.940 9.914 1.00 72.34 H new ATOM 0 HD3 PRO A 81 15.781 -14.262 9.509 1.00 72.34 H new ATOM 1281 N GLY A 82 17.855 -10.902 11.894 1.00 63.43 N ATOM 1282 CA GLY A 82 18.914 -9.967 12.216 1.00 64.12 C ATOM 1283 C GLY A 82 18.428 -8.534 12.332 1.00 75.30 C ATOM 1284 O GLY A 82 19.084 -7.707 12.969 1.00 71.43 O ATOM 0 H GLY A 82 17.561 -10.896 10.917 1.00 63.43 H new ATOM 0 HA2 GLY A 82 19.379 -10.264 13.156 1.00 64.12 H new ATOM 0 HA3 GLY A 82 19.685 -10.022 11.448 1.00 64.12 H new ATOM 1288 N ALA A 83 17.281 -8.233 11.735 1.00 74.13 N ATOM 1289 CA ALA A 83 16.775 -6.867 11.715 1.00 14.42 C ATOM 1290 C ALA A 83 15.255 -6.842 11.667 1.00 44.35 C ATOM 1291 O ALA A 83 14.613 -7.870 11.457 1.00 31.23 O ATOM 1292 CB ALA A 83 17.351 -6.113 10.524 1.00 0.23 C ATOM 0 H ALA A 83 16.687 -8.913 11.261 1.00 74.13 H new ATOM 0 HA ALA A 83 17.090 -6.377 12.636 1.00 14.42 H new ATOM 0 HB1 ALA A 83 16.966 -5.093 10.518 1.00 0.23 H new ATOM 0 HB2 ALA A 83 18.438 -6.090 10.599 1.00 0.23 H new ATOM 0 HB3 ALA A 83 17.061 -6.615 9.601 1.00 0.23 H new ATOM 1298 N ARG A 84 14.686 -5.666 11.894 1.00 13.44 N ATOM 1299 CA ARG A 84 13.251 -5.463 11.770 1.00 3.43 C ATOM 1300 C ARG A 84 12.984 -4.129 11.080 1.00 13.43 C ATOM 1301 O ARG A 84 13.693 -3.154 11.321 1.00 24.21 O ATOM 1302 CB ARG A 84 12.550 -5.470 13.138 1.00 64.23 C ATOM 1303 CG ARG A 84 12.695 -6.761 13.934 1.00 64.34 C ATOM 1304 CD ARG A 84 14.001 -6.801 14.713 1.00 4.52 C ATOM 1305 NE ARG A 84 14.093 -7.982 15.570 1.00 61.22 N ATOM 1306 CZ ARG A 84 14.126 -7.934 16.900 1.00 4.42 C ATOM 1307 NH1 ARG A 84 14.101 -6.762 17.528 1.00 53.33 N ATOM 1308 NH2 ARG A 84 14.194 -9.056 17.602 1.00 73.31 N ATOM 0 H ARG A 84 15.204 -4.831 12.168 1.00 13.44 H new ATOM 0 HA ARG A 84 12.850 -6.287 11.180 1.00 3.43 H new ATOM 0 HB2 ARG A 84 12.944 -4.648 13.735 1.00 64.23 H new ATOM 0 HB3 ARG A 84 11.489 -5.273 12.986 1.00 64.23 H new ATOM 0 HG2 ARG A 84 11.857 -6.858 14.624 1.00 64.34 H new ATOM 0 HG3 ARG A 84 12.650 -7.613 13.256 1.00 64.34 H new ATOM 0 HD2 ARG A 84 14.839 -6.793 14.016 1.00 4.52 H new ATOM 0 HD3 ARG A 84 14.086 -5.902 15.324 1.00 4.52 H new ATOM 0 HE ARG A 84 14.134 -8.897 15.122 1.00 61.22 H new ATOM 0 HH11 ARG A 84 14.056 -5.896 16.991 1.00 53.33 H new ATOM 0 HH12 ARG A 84 14.126 -6.729 18.547 1.00 53.33 H new ATOM 0 HH21 ARG A 84 14.221 -9.956 17.123 1.00 73.31 H new ATOM 0 HH22 ARG A 84 14.219 -9.019 18.621 1.00 73.31 H new ATOM 1322 N ILE A 85 11.974 -4.094 10.213 1.00 2.32 N ATOM 1323 CA ILE A 85 11.573 -2.853 9.548 1.00 44.31 C ATOM 1324 C ILE A 85 10.910 -1.901 10.550 1.00 33.23 C ATOM 1325 O ILE A 85 10.768 -0.702 10.288 1.00 40.22 O ATOM 1326 CB ILE A 85 10.600 -3.132 8.368 1.00 13.33 C ATOM 1327 CG1 ILE A 85 11.248 -4.082 7.358 1.00 73.15 C ATOM 1328 CG2 ILE A 85 10.194 -1.836 7.672 1.00 4.13 C ATOM 1329 CD1 ILE A 85 10.326 -4.497 6.230 1.00 55.41 C ATOM 0 H ILE A 85 11.418 -4.909 9.954 1.00 2.32 H new ATOM 0 HA ILE A 85 12.473 -2.387 9.148 1.00 44.31 H new ATOM 0 HB ILE A 85 9.704 -3.599 8.776 1.00 13.33 H new ATOM 0 HG12 ILE A 85 12.130 -3.601 6.935 1.00 73.15 H new ATOM 0 HG13 ILE A 85 11.591 -4.974 7.881 1.00 73.15 H new ATOM 0 HG21 ILE A 85 9.513 -2.062 6.851 1.00 4.13 H new ATOM 0 HG22 ILE A 85 9.696 -1.180 8.386 1.00 4.13 H new ATOM 0 HG23 ILE A 85 11.082 -1.339 7.281 1.00 4.13 H new ATOM 0 HD11 ILE A 85 10.856 -5.170 5.556 1.00 55.41 H new ATOM 0 HD12 ILE A 85 9.455 -5.007 6.641 1.00 55.41 H new ATOM 0 HD13 ILE A 85 10.003 -3.613 5.681 1.00 55.41 H new ATOM 1341 N GLU A 86 10.507 -2.457 11.698 1.00 43.32 N ATOM 1342 CA GLU A 86 9.836 -1.713 12.772 1.00 25.34 C ATOM 1343 C GLU A 86 8.381 -1.422 12.403 1.00 25.54 C ATOM 1344 O GLU A 86 7.490 -1.488 13.251 1.00 62.21 O ATOM 1345 CB GLU A 86 10.599 -0.424 13.121 1.00 13.30 C ATOM 1346 CG GLU A 86 10.007 0.351 14.287 1.00 34.40 C ATOM 1347 CD GLU A 86 10.940 1.429 14.801 1.00 64.30 C ATOM 1348 OE1 GLU A 86 10.894 2.564 14.286 1.00 13.50 O ATOM 1349 OE2 GLU A 86 11.731 1.137 15.726 1.00 65.45 O ATOM 0 H GLU A 86 10.638 -3.446 11.911 1.00 43.32 H new ATOM 0 HA GLU A 86 9.834 -2.338 13.665 1.00 25.34 H new ATOM 0 HB2 GLU A 86 11.633 -0.678 13.355 1.00 13.30 H new ATOM 0 HB3 GLU A 86 10.621 0.222 12.243 1.00 13.30 H new ATOM 0 HG2 GLU A 86 9.067 0.807 13.976 1.00 34.40 H new ATOM 0 HG3 GLU A 86 9.774 -0.340 15.097 1.00 34.40 H new ATOM 1356 N ASN A 87 8.150 -1.112 11.135 1.00 44.41 N ATOM 1357 CA ASN A 87 6.799 -1.020 10.604 1.00 74.21 C ATOM 1358 C ASN A 87 6.146 -2.396 10.656 1.00 61.44 C ATOM 1359 O ASN A 87 6.756 -3.387 10.254 1.00 12.52 O ATOM 1360 CB ASN A 87 6.829 -0.505 9.160 1.00 31.12 C ATOM 1361 CG ASN A 87 5.455 -0.490 8.511 1.00 22.14 C ATOM 1362 OD1 ASN A 87 4.440 -0.323 9.182 1.00 23.22 O ATOM 1363 ND2 ASN A 87 5.417 -0.660 7.197 1.00 22.24 N ATOM 0 H ASN A 87 8.884 -0.920 10.453 1.00 44.41 H new ATOM 0 HA ASN A 87 6.221 -0.320 11.207 1.00 74.21 H new ATOM 0 HB2 ASN A 87 7.243 0.503 9.147 1.00 31.12 H new ATOM 0 HB3 ASN A 87 7.498 -1.131 8.570 1.00 31.12 H new ATOM 0 HD21 ASN A 87 4.522 -0.655 6.708 1.00 22.24 H new ATOM 0 HD22 ASN A 87 6.283 -0.796 6.675 1.00 22.24 H new ATOM 1370 N SER A 88 4.921 -2.463 11.152 1.00 35.21 N ATOM 1371 CA SER A 88 4.256 -3.738 11.334 1.00 62.14 C ATOM 1372 C SER A 88 2.894 -3.744 10.648 1.00 31.42 C ATOM 1373 O SER A 88 2.071 -2.852 10.865 1.00 64.13 O ATOM 1374 CB SER A 88 4.101 -4.028 12.829 1.00 71.41 C ATOM 1375 OG SER A 88 3.582 -5.329 13.059 1.00 62.13 O ATOM 0 H SER A 88 4.371 -1.652 11.434 1.00 35.21 H new ATOM 0 HA SER A 88 4.865 -4.518 10.878 1.00 62.14 H new ATOM 0 HB2 SER A 88 5.069 -3.930 13.321 1.00 71.41 H new ATOM 0 HB3 SER A 88 3.439 -3.287 13.277 1.00 71.41 H new ATOM 0 HG SER A 88 3.497 -5.482 14.023 1.00 62.13 H new ATOM 1381 N GLY A 89 2.665 -4.755 9.822 1.00 73.15 N ATOM 1382 CA GLY A 89 1.385 -4.908 9.168 1.00 61.23 C ATOM 1383 C GLY A 89 1.478 -5.770 7.930 1.00 5.35 C ATOM 1384 O GLY A 89 2.377 -5.592 7.110 1.00 71.31 O ATOM 0 H GLY A 89 3.349 -5.476 9.593 1.00 73.15 H new ATOM 0 HA2 GLY A 89 0.673 -5.351 9.865 1.00 61.23 H new ATOM 0 HA3 GLY A 89 0.997 -3.926 8.897 1.00 61.23 H new ATOM 1388 N GLU A 90 0.561 -6.716 7.800 1.00 20.10 N ATOM 1389 CA GLU A 90 0.497 -7.557 6.618 1.00 32.10 C ATOM 1390 C GLU A 90 -0.611 -7.071 5.693 1.00 23.43 C ATOM 1391 O GLU A 90 -1.699 -6.697 6.147 1.00 23.45 O ATOM 1392 CB GLU A 90 0.281 -9.034 6.984 1.00 15.33 C ATOM 1393 CG GLU A 90 -0.911 -9.304 7.893 1.00 21.43 C ATOM 1394 CD GLU A 90 -0.572 -9.172 9.366 1.00 14.25 C ATOM 1395 OE1 GLU A 90 -0.448 -8.037 9.861 1.00 51.15 O ATOM 1396 OE2 GLU A 90 -0.428 -10.211 10.042 1.00 4.33 O ATOM 0 H GLU A 90 -0.151 -6.920 8.502 1.00 20.10 H new ATOM 0 HA GLU A 90 1.454 -7.484 6.101 1.00 32.10 H new ATOM 0 HB2 GLU A 90 0.155 -9.606 6.065 1.00 15.33 H new ATOM 0 HB3 GLU A 90 1.182 -9.408 7.471 1.00 15.33 H new ATOM 0 HG2 GLU A 90 -1.714 -8.609 7.647 1.00 21.43 H new ATOM 0 HG3 GLU A 90 -1.288 -10.308 7.701 1.00 21.43 H new ATOM 1403 N VAL A 91 -0.322 -7.065 4.403 1.00 41.25 N ATOM 1404 CA VAL A 91 -1.239 -6.531 3.413 1.00 14.40 C ATOM 1405 C VAL A 91 -2.195 -7.592 2.914 1.00 20.10 C ATOM 1406 O VAL A 91 -1.784 -8.649 2.444 1.00 4.32 O ATOM 1407 CB VAL A 91 -0.492 -5.917 2.218 1.00 34.24 C ATOM 1408 CG1 VAL A 91 -1.449 -5.362 1.187 1.00 61.32 C ATOM 1409 CG2 VAL A 91 0.457 -4.854 2.709 1.00 62.43 C ATOM 0 H VAL A 91 0.549 -7.428 4.015 1.00 41.25 H new ATOM 0 HA VAL A 91 -1.808 -5.746 3.911 1.00 14.40 H new ATOM 0 HB VAL A 91 0.080 -6.704 1.725 1.00 34.24 H new ATOM 0 HG11 VAL A 91 -0.884 -4.937 0.358 1.00 61.32 H new ATOM 0 HG12 VAL A 91 -2.089 -6.163 0.817 1.00 61.32 H new ATOM 0 HG13 VAL A 91 -2.065 -4.586 1.642 1.00 61.32 H new ATOM 0 HG21 VAL A 91 0.986 -4.419 1.861 1.00 62.43 H new ATOM 0 HG22 VAL A 91 -0.105 -4.075 3.225 1.00 62.43 H new ATOM 0 HG23 VAL A 91 1.177 -5.298 3.397 1.00 62.43 H new ATOM 1419 N LEU A 92 -3.466 -7.291 3.026 1.00 45.33 N ATOM 1420 CA LEU A 92 -4.514 -8.194 2.584 1.00 61.32 C ATOM 1421 C LEU A 92 -5.161 -7.667 1.314 1.00 61.11 C ATOM 1422 O LEU A 92 -5.507 -6.490 1.229 1.00 24.14 O ATOM 1423 CB LEU A 92 -5.570 -8.357 3.679 1.00 73.43 C ATOM 1424 CG LEU A 92 -5.293 -9.442 4.730 1.00 42.10 C ATOM 1425 CD1 LEU A 92 -3.903 -9.308 5.333 1.00 34.20 C ATOM 1426 CD2 LEU A 92 -6.339 -9.373 5.823 1.00 13.33 C ATOM 0 H LEU A 92 -3.808 -6.417 3.424 1.00 45.33 H new ATOM 0 HA LEU A 92 -4.069 -9.167 2.376 1.00 61.32 H new ATOM 0 HB2 LEU A 92 -5.681 -7.402 4.193 1.00 73.43 H new ATOM 0 HB3 LEU A 92 -6.526 -8.576 3.204 1.00 73.43 H new ATOM 0 HG LEU A 92 -5.342 -10.410 4.230 1.00 42.10 H new ATOM 0 HD11 LEU A 92 -3.749 -10.095 6.071 1.00 34.20 H new ATOM 0 HD12 LEU A 92 -3.155 -9.398 4.546 1.00 34.20 H new ATOM 0 HD13 LEU A 92 -3.808 -8.335 5.815 1.00 34.20 H new ATOM 0 HD21 LEU A 92 -6.139 -10.144 6.567 1.00 13.33 H new ATOM 0 HD22 LEU A 92 -6.304 -8.393 6.298 1.00 13.33 H new ATOM 0 HD23 LEU A 92 -7.327 -9.532 5.391 1.00 13.33 H new ATOM 1438 N PHE A 93 -5.310 -8.535 0.328 1.00 23.11 N ATOM 1439 CA PHE A 93 -5.959 -8.155 -0.912 1.00 0.02 C ATOM 1440 C PHE A 93 -7.400 -8.624 -0.904 1.00 35.32 C ATOM 1441 O PHE A 93 -7.682 -9.822 -0.979 1.00 61.34 O ATOM 1442 CB PHE A 93 -5.206 -8.722 -2.113 1.00 2.10 C ATOM 1443 CG PHE A 93 -3.858 -8.094 -2.298 1.00 12.11 C ATOM 1444 CD1 PHE A 93 -2.753 -8.591 -1.631 1.00 64.20 C ATOM 1445 CD2 PHE A 93 -3.701 -6.999 -3.129 1.00 21.24 C ATOM 1446 CE1 PHE A 93 -1.515 -8.009 -1.790 1.00 14.22 C ATOM 1447 CE2 PHE A 93 -2.463 -6.413 -3.291 1.00 12.23 C ATOM 1448 CZ PHE A 93 -1.369 -6.919 -2.622 1.00 51.13 C ATOM 0 H PHE A 93 -4.991 -9.503 0.363 1.00 23.11 H new ATOM 0 HA PHE A 93 -5.947 -7.068 -0.997 1.00 0.02 H new ATOM 0 HB2 PHE A 93 -5.087 -9.798 -1.987 1.00 2.10 H new ATOM 0 HB3 PHE A 93 -5.800 -8.570 -3.014 1.00 2.10 H new ATOM 0 HD1 PHE A 93 -2.862 -9.445 -0.978 1.00 64.20 H new ATOM 0 HD2 PHE A 93 -4.555 -6.600 -3.655 1.00 21.24 H new ATOM 0 HE1 PHE A 93 -0.659 -8.406 -1.264 1.00 14.22 H new ATOM 0 HE2 PHE A 93 -2.351 -5.558 -3.942 1.00 12.23 H new ATOM 0 HZ PHE A 93 -0.399 -6.462 -2.749 1.00 51.13 H new ATOM 1458 N ARG A 94 -8.307 -7.673 -0.799 1.00 11.14 N ATOM 1459 CA ARG A 94 -9.710 -7.988 -0.635 1.00 41.43 C ATOM 1460 C ARG A 94 -10.477 -7.635 -1.897 1.00 21.41 C ATOM 1461 O ARG A 94 -10.156 -6.655 -2.576 1.00 32.14 O ATOM 1462 CB ARG A 94 -10.284 -7.247 0.576 1.00 74.33 C ATOM 1463 CG ARG A 94 -9.368 -7.269 1.788 1.00 1.34 C ATOM 1464 CD ARG A 94 -10.121 -6.978 3.073 1.00 22.44 C ATOM 1465 NE ARG A 94 -10.882 -8.141 3.527 1.00 52.12 N ATOM 1466 CZ ARG A 94 -11.392 -8.264 4.750 1.00 72.21 C ATOM 1467 NH1 ARG A 94 -11.287 -7.271 5.622 1.00 1.03 N ATOM 1468 NH2 ARG A 94 -12.021 -9.378 5.093 1.00 52.02 N ATOM 0 H ARG A 94 -8.096 -6.675 -0.824 1.00 11.14 H new ATOM 0 HA ARG A 94 -9.813 -9.059 -0.459 1.00 41.43 H new ATOM 0 HB2 ARG A 94 -10.482 -6.212 0.298 1.00 74.33 H new ATOM 0 HB3 ARG A 94 -11.241 -7.693 0.845 1.00 74.33 H new ATOM 0 HG2 ARG A 94 -8.888 -8.245 1.862 1.00 1.34 H new ATOM 0 HG3 ARG A 94 -8.575 -6.532 1.657 1.00 1.34 H new ATOM 0 HD2 ARG A 94 -9.416 -6.679 3.849 1.00 22.44 H new ATOM 0 HD3 ARG A 94 -10.798 -6.138 2.916 1.00 22.44 H new ATOM 0 HE ARG A 94 -11.031 -8.904 2.867 1.00 52.12 H new ATOM 0 HH11 ARG A 94 -10.814 -6.407 5.357 1.00 1.03 H new ATOM 0 HH12 ARG A 94 -11.680 -7.371 6.558 1.00 1.03 H new ATOM 0 HH21 ARG A 94 -12.114 -10.139 4.420 1.00 52.02 H new ATOM 0 HH22 ARG A 94 -12.413 -9.475 6.030 1.00 52.02 H new ATOM 1482 N PRO A 95 -11.491 -8.435 -2.232 1.00 23.34 N ATOM 1483 CA PRO A 95 -12.265 -8.258 -3.455 1.00 50.50 C ATOM 1484 C PRO A 95 -13.153 -7.021 -3.413 1.00 15.14 C ATOM 1485 O PRO A 95 -13.963 -6.849 -2.500 1.00 11.52 O ATOM 1486 CB PRO A 95 -13.129 -9.527 -3.538 1.00 71.40 C ATOM 1487 CG PRO A 95 -12.586 -10.455 -2.503 1.00 25.44 C ATOM 1488 CD PRO A 95 -11.961 -9.588 -1.456 1.00 64.30 C ATOM 0 HA PRO A 95 -11.613 -8.115 -4.317 1.00 50.50 H new ATOM 0 HB2 PRO A 95 -14.178 -9.299 -3.348 1.00 71.40 H new ATOM 0 HB3 PRO A 95 -13.075 -9.973 -4.531 1.00 71.40 H new ATOM 0 HG2 PRO A 95 -13.378 -11.071 -2.077 1.00 25.44 H new ATOM 0 HG3 PRO A 95 -11.852 -11.135 -2.936 1.00 25.44 H new ATOM 0 HD2 PRO A 95 -12.680 -9.295 -0.690 1.00 64.30 H new ATOM 0 HD3 PRO A 95 -11.141 -10.095 -0.947 1.00 64.30 H new ATOM 1496 N ALA A 96 -12.975 -6.154 -4.395 1.00 25.43 N ATOM 1497 CA ALA A 96 -13.864 -5.023 -4.586 1.00 54.12 C ATOM 1498 C ALA A 96 -14.880 -5.374 -5.658 1.00 55.25 C ATOM 1499 O ALA A 96 -14.657 -6.308 -6.431 1.00 44.45 O ATOM 1500 CB ALA A 96 -13.085 -3.779 -5.004 1.00 2.43 C ATOM 0 H ALA A 96 -12.218 -6.213 -5.076 1.00 25.43 H new ATOM 0 HA ALA A 96 -14.368 -4.806 -3.644 1.00 54.12 H new ATOM 0 HB1 ALA A 96 -13.775 -2.946 -5.140 1.00 2.43 H new ATOM 0 HB2 ALA A 96 -12.360 -3.527 -4.230 1.00 2.43 H new ATOM 0 HB3 ALA A 96 -12.563 -3.974 -5.940 1.00 2.43 H new ATOM 1506 N PRO A 97 -16.016 -4.669 -5.713 1.00 50.52 N ATOM 1507 CA PRO A 97 -16.943 -4.790 -6.835 1.00 13.32 C ATOM 1508 C PRO A 97 -16.232 -4.497 -8.153 1.00 15.10 C ATOM 1509 O PRO A 97 -15.177 -3.851 -8.163 1.00 75.22 O ATOM 1510 CB PRO A 97 -18.012 -3.736 -6.539 1.00 1.21 C ATOM 1511 CG PRO A 97 -17.952 -3.548 -5.064 1.00 12.33 C ATOM 1512 CD PRO A 97 -16.509 -3.736 -4.686 1.00 4.55 C ATOM 0 HA PRO A 97 -17.361 -5.792 -6.937 1.00 13.32 H new ATOM 0 HB2 PRO A 97 -17.807 -2.804 -7.066 1.00 1.21 H new ATOM 0 HB3 PRO A 97 -18.999 -4.072 -6.856 1.00 1.21 H new ATOM 0 HG2 PRO A 97 -18.304 -2.556 -4.782 1.00 12.33 H new ATOM 0 HG3 PRO A 97 -18.588 -4.270 -4.551 1.00 12.33 H new ATOM 0 HD2 PRO A 97 -15.962 -2.793 -4.701 1.00 4.55 H new ATOM 0 HD3 PRO A 97 -16.405 -4.149 -3.683 1.00 4.55 H new ATOM 1520 N GLY A 98 -16.812 -4.962 -9.248 1.00 2.34 N ATOM 1521 CA GLY A 98 -16.163 -4.889 -10.546 1.00 64.23 C ATOM 1522 C GLY A 98 -15.673 -3.502 -10.924 1.00 24.05 C ATOM 1523 O GLY A 98 -14.724 -3.371 -11.695 1.00 71.13 O ATOM 0 H GLY A 98 -17.735 -5.396 -9.263 1.00 2.34 H new ATOM 0 HA2 GLY A 98 -15.316 -5.575 -10.555 1.00 64.23 H new ATOM 0 HA3 GLY A 98 -16.861 -5.235 -11.308 1.00 64.23 H new ATOM 1527 N ALA A 99 -16.302 -2.463 -10.391 1.00 42.33 N ATOM 1528 CA ALA A 99 -15.932 -1.111 -10.756 1.00 21.44 C ATOM 1529 C ALA A 99 -15.148 -0.395 -9.667 1.00 44.43 C ATOM 1530 O ALA A 99 -14.873 0.802 -9.781 1.00 4.25 O ATOM 1531 CB ALA A 99 -17.161 -0.307 -11.146 1.00 3.10 C ATOM 0 H ALA A 99 -17.061 -2.533 -9.713 1.00 42.33 H new ATOM 0 HA ALA A 99 -15.268 -1.191 -11.617 1.00 21.44 H new ATOM 0 HB1 ALA A 99 -16.862 0.706 -11.417 1.00 3.10 H new ATOM 0 HB2 ALA A 99 -17.651 -0.781 -11.997 1.00 3.10 H new ATOM 0 HB3 ALA A 99 -17.853 -0.268 -10.304 1.00 3.10 H new ATOM 1537 N ARG A 100 -14.770 -1.115 -8.626 1.00 3.41 N ATOM 1538 CA ARG A 100 -13.939 -0.531 -7.595 1.00 64.55 C ATOM 1539 C ARG A 100 -12.494 -0.984 -7.793 1.00 51.23 C ATOM 1540 O ARG A 100 -11.558 -0.216 -7.576 1.00 10.13 O ATOM 1541 CB ARG A 100 -14.451 -0.918 -6.205 1.00 14.33 C ATOM 1542 CG ARG A 100 -13.821 -0.120 -5.074 1.00 1.34 C ATOM 1543 CD ARG A 100 -14.313 1.319 -5.051 1.00 71.30 C ATOM 1544 NE ARG A 100 -15.669 1.429 -4.510 1.00 23.02 N ATOM 1545 CZ ARG A 100 -16.626 2.202 -5.028 1.00 23.21 C ATOM 1546 NH1 ARG A 100 -16.398 2.924 -6.116 1.00 12.42 N ATOM 1547 NH2 ARG A 100 -17.819 2.248 -4.452 1.00 42.31 N ATOM 0 H ARG A 100 -15.022 -2.092 -8.475 1.00 3.41 H new ATOM 0 HA ARG A 100 -13.982 0.556 -7.670 1.00 64.55 H new ATOM 0 HB2 ARG A 100 -15.532 -0.781 -6.175 1.00 14.33 H new ATOM 0 HB3 ARG A 100 -14.259 -1.978 -6.040 1.00 14.33 H new ATOM 0 HG2 ARG A 100 -14.051 -0.597 -4.121 1.00 1.34 H new ATOM 0 HG3 ARG A 100 -12.736 -0.131 -5.183 1.00 1.34 H new ATOM 0 HD2 ARG A 100 -13.634 1.924 -4.451 1.00 71.30 H new ATOM 0 HD3 ARG A 100 -14.293 1.725 -6.062 1.00 71.30 H new ATOM 0 HE ARG A 100 -15.898 0.878 -3.682 1.00 23.02 H new ATOM 0 HH11 ARG A 100 -15.483 2.893 -6.567 1.00 12.42 H new ATOM 0 HH12 ARG A 100 -17.137 3.511 -6.503 1.00 12.42 H new ATOM 0 HH21 ARG A 100 -18.003 1.694 -3.616 1.00 42.31 H new ATOM 0 HH22 ARG A 100 -18.553 2.838 -4.845 1.00 42.31 H new ATOM 1561 N GLY A 101 -12.327 -2.229 -8.232 1.00 72.30 N ATOM 1562 CA GLY A 101 -11.000 -2.767 -8.480 1.00 3.54 C ATOM 1563 C GLY A 101 -10.633 -3.852 -7.489 1.00 1.01 C ATOM 1564 O GLY A 101 -11.403 -4.788 -7.272 1.00 54.24 O ATOM 0 H GLY A 101 -13.091 -2.878 -8.421 1.00 72.30 H new ATOM 0 HA2 GLY A 101 -10.956 -3.170 -9.492 1.00 3.54 H new ATOM 0 HA3 GLY A 101 -10.267 -1.963 -8.425 1.00 3.54 H new ATOM 1568 N THR A 102 -9.459 -3.733 -6.894 1.00 14.53 N ATOM 1569 CA THR A 102 -9.051 -4.624 -5.820 1.00 63.45 C ATOM 1570 C THR A 102 -8.549 -3.807 -4.637 1.00 51.30 C ATOM 1571 O THR A 102 -7.764 -2.870 -4.806 1.00 14.55 O ATOM 1572 CB THR A 102 -7.951 -5.607 -6.272 1.00 4.23 C ATOM 1573 OG1 THR A 102 -8.393 -6.337 -7.423 1.00 65.23 O ATOM 1574 CG2 THR A 102 -7.599 -6.581 -5.151 1.00 24.42 C ATOM 0 H THR A 102 -8.767 -3.024 -7.138 1.00 14.53 H new ATOM 0 HA THR A 102 -9.923 -5.210 -5.529 1.00 63.45 H new ATOM 0 HB THR A 102 -7.060 -5.032 -6.525 1.00 4.23 H new ATOM 0 HG1 THR A 102 -7.616 -6.691 -7.904 1.00 65.23 H new ATOM 0 HG21 THR A 102 -6.822 -7.264 -5.493 1.00 24.42 H new ATOM 0 HG22 THR A 102 -7.238 -6.025 -4.286 1.00 24.42 H new ATOM 0 HG23 THR A 102 -8.485 -7.151 -4.872 1.00 24.42 H new ATOM 1582 N GLU A 103 -9.014 -4.148 -3.447 1.00 14.43 N ATOM 1583 CA GLU A 103 -8.666 -3.395 -2.258 1.00 53.12 C ATOM 1584 C GLU A 103 -7.380 -3.926 -1.635 1.00 2.04 C ATOM 1585 O GLU A 103 -7.356 -5.012 -1.049 1.00 24.22 O ATOM 1586 CB GLU A 103 -9.810 -3.443 -1.244 1.00 12.25 C ATOM 1587 CG GLU A 103 -9.551 -2.614 0.001 1.00 33.34 C ATOM 1588 CD GLU A 103 -10.731 -2.604 0.948 1.00 62.43 C ATOM 1589 OE1 GLU A 103 -11.602 -1.722 0.806 1.00 0.33 O ATOM 1590 OE2 GLU A 103 -10.795 -3.476 1.839 1.00 74.23 O ATOM 0 H GLU A 103 -9.633 -4.941 -3.280 1.00 14.43 H new ATOM 0 HA GLU A 103 -8.499 -2.358 -2.548 1.00 53.12 H new ATOM 0 HB2 GLU A 103 -10.724 -3.090 -1.722 1.00 12.25 H new ATOM 0 HB3 GLU A 103 -9.983 -4.479 -0.952 1.00 12.25 H new ATOM 0 HG2 GLU A 103 -8.677 -3.007 0.520 1.00 33.34 H new ATOM 0 HG3 GLU A 103 -9.315 -1.591 -0.291 1.00 33.34 H new ATOM 1597 N VAL A 104 -6.315 -3.158 -1.788 1.00 70.12 N ATOM 1598 CA VAL A 104 -5.041 -3.474 -1.153 1.00 73.32 C ATOM 1599 C VAL A 104 -4.991 -2.855 0.246 1.00 22.24 C ATOM 1600 O VAL A 104 -4.802 -1.646 0.414 1.00 21.33 O ATOM 1601 CB VAL A 104 -3.836 -3.010 -2.022 1.00 31.14 C ATOM 1602 CG1 VAL A 104 -3.903 -1.534 -2.361 1.00 22.10 C ATOM 1603 CG2 VAL A 104 -2.515 -3.336 -1.347 1.00 11.00 C ATOM 0 H VAL A 104 -6.305 -2.306 -2.349 1.00 70.12 H new ATOM 0 HA VAL A 104 -4.962 -4.557 -1.059 1.00 73.32 H new ATOM 0 HB VAL A 104 -3.898 -3.564 -2.959 1.00 31.14 H new ATOM 0 HG11 VAL A 104 -3.040 -1.261 -2.968 1.00 22.10 H new ATOM 0 HG12 VAL A 104 -4.818 -1.330 -2.918 1.00 22.10 H new ATOM 0 HG13 VAL A 104 -3.900 -0.949 -1.441 1.00 22.10 H new ATOM 0 HG21 VAL A 104 -1.692 -3.000 -1.977 1.00 11.00 H new ATOM 0 HG22 VAL A 104 -2.464 -2.829 -0.383 1.00 11.00 H new ATOM 0 HG23 VAL A 104 -2.440 -4.413 -1.195 1.00 11.00 H new ATOM 1613 N VAL A 105 -5.217 -3.685 1.255 1.00 63.14 N ATOM 1614 CA VAL A 105 -5.228 -3.216 2.629 1.00 45.53 C ATOM 1615 C VAL A 105 -3.819 -3.219 3.195 1.00 21.13 C ATOM 1616 O VAL A 105 -3.247 -4.273 3.470 1.00 73.13 O ATOM 1617 CB VAL A 105 -6.143 -4.085 3.521 1.00 35.03 C ATOM 1618 CG1 VAL A 105 -6.174 -3.553 4.947 1.00 13.14 C ATOM 1619 CG2 VAL A 105 -7.548 -4.154 2.941 1.00 65.12 C ATOM 0 H VAL A 105 -5.395 -4.684 1.146 1.00 63.14 H new ATOM 0 HA VAL A 105 -5.621 -2.199 2.625 1.00 45.53 H new ATOM 0 HB VAL A 105 -5.733 -5.095 3.546 1.00 35.03 H new ATOM 0 HG11 VAL A 105 -6.825 -4.181 5.556 1.00 13.14 H new ATOM 0 HG12 VAL A 105 -5.166 -3.565 5.362 1.00 13.14 H new ATOM 0 HG13 VAL A 105 -6.554 -2.531 4.946 1.00 13.14 H new ATOM 0 HG21 VAL A 105 -8.177 -4.770 3.583 1.00 65.12 H new ATOM 0 HG22 VAL A 105 -7.966 -3.149 2.880 1.00 65.12 H new ATOM 0 HG23 VAL A 105 -7.509 -4.592 1.944 1.00 65.12 H new ATOM 1629 N VAL A 106 -3.275 -2.031 3.376 1.00 50.10 N ATOM 1630 CA VAL A 106 -1.923 -1.865 3.874 1.00 65.43 C ATOM 1631 C VAL A 106 -1.938 -1.263 5.270 1.00 65.53 C ATOM 1632 O VAL A 106 -2.609 -0.260 5.524 1.00 32.42 O ATOM 1633 CB VAL A 106 -1.073 -0.974 2.936 1.00 44.10 C ATOM 1634 CG1 VAL A 106 -0.260 -1.810 1.970 1.00 3.14 C ATOM 1635 CG2 VAL A 106 -1.961 -0.038 2.149 1.00 60.20 C ATOM 0 H VAL A 106 -3.758 -1.154 3.182 1.00 50.10 H new ATOM 0 HA VAL A 106 -1.469 -2.855 3.910 1.00 65.43 H new ATOM 0 HB VAL A 106 -0.393 -0.397 3.563 1.00 44.10 H new ATOM 0 HG11 VAL A 106 0.326 -1.155 1.325 1.00 3.14 H new ATOM 0 HG12 VAL A 106 0.410 -2.463 2.529 1.00 3.14 H new ATOM 0 HG13 VAL A 106 -0.930 -2.415 1.359 1.00 3.14 H new ATOM 0 HG21 VAL A 106 -1.348 0.581 1.495 1.00 60.20 H new ATOM 0 HG22 VAL A 106 -2.660 -0.619 1.548 1.00 60.20 H new ATOM 0 HG23 VAL A 106 -2.517 0.600 2.836 1.00 60.20 H new ATOM 1645 N ARG A 107 -1.224 -1.903 6.174 1.00 44.24 N ATOM 1646 CA ARG A 107 -1.092 -1.415 7.536 1.00 50.41 C ATOM 1647 C ARG A 107 0.313 -0.870 7.745 1.00 43.30 C ATOM 1648 O ARG A 107 1.284 -1.625 7.744 1.00 15.02 O ATOM 1649 CB ARG A 107 -1.379 -2.542 8.530 1.00 72.50 C ATOM 1650 CG ARG A 107 -1.347 -2.101 9.983 1.00 44.34 C ATOM 1651 CD ARG A 107 -1.524 -3.279 10.923 1.00 50.54 C ATOM 1652 NE ARG A 107 -2.781 -3.985 10.690 1.00 31.41 N ATOM 1653 CZ ARG A 107 -2.921 -5.303 10.805 1.00 43.31 C ATOM 1654 NH1 ARG A 107 -1.893 -6.049 11.188 1.00 31.11 N ATOM 1655 NH2 ARG A 107 -4.090 -5.872 10.550 1.00 40.04 N ATOM 0 H ARG A 107 -0.721 -2.771 5.989 1.00 44.24 H new ATOM 0 HA ARG A 107 -1.814 -0.616 7.704 1.00 50.41 H new ATOM 0 HB2 ARG A 107 -2.359 -2.967 8.310 1.00 72.50 H new ATOM 0 HB3 ARG A 107 -0.647 -3.337 8.385 1.00 72.50 H new ATOM 0 HG2 ARG A 107 -0.400 -1.605 10.193 1.00 44.34 H new ATOM 0 HG3 ARG A 107 -2.136 -1.370 10.160 1.00 44.34 H new ATOM 0 HD2 ARG A 107 -0.691 -3.971 10.797 1.00 50.54 H new ATOM 0 HD3 ARG A 107 -1.492 -2.927 11.954 1.00 50.54 H new ATOM 0 HE ARG A 107 -3.598 -3.436 10.424 1.00 31.41 H new ATOM 0 HH11 ARG A 107 -0.995 -5.612 11.394 1.00 31.11 H new ATOM 0 HH12 ARG A 107 -2.001 -7.059 11.276 1.00 31.11 H new ATOM 0 HH21 ARG A 107 -4.885 -5.299 10.265 1.00 40.04 H new ATOM 0 HH22 ARG A 107 -4.195 -6.883 10.639 1.00 40.04 H new ATOM 1669 N LEU A 108 0.424 0.443 7.896 1.00 4.30 N ATOM 1670 CA LEU A 108 1.723 1.076 8.027 1.00 11.41 C ATOM 1671 C LEU A 108 1.828 1.887 9.315 1.00 3.31 C ATOM 1672 O LEU A 108 1.040 2.801 9.566 1.00 2.52 O ATOM 1673 CB LEU A 108 2.044 1.953 6.802 1.00 44.44 C ATOM 1674 CG LEU A 108 1.053 3.087 6.476 1.00 52.50 C ATOM 1675 CD1 LEU A 108 1.711 4.107 5.561 1.00 60.20 C ATOM 1676 CD2 LEU A 108 -0.204 2.545 5.814 1.00 20.10 C ATOM 0 H LEU A 108 -0.368 1.085 7.930 1.00 4.30 H new ATOM 0 HA LEU A 108 2.465 0.279 8.077 1.00 11.41 H new ATOM 0 HB2 LEU A 108 3.029 2.396 6.951 1.00 44.44 H new ATOM 0 HB3 LEU A 108 2.115 1.304 5.929 1.00 44.44 H new ATOM 0 HG LEU A 108 0.770 3.565 7.414 1.00 52.50 H new ATOM 0 HD11 LEU A 108 1.003 4.904 5.336 1.00 60.20 H new ATOM 0 HD12 LEU A 108 2.587 4.528 6.055 1.00 60.20 H new ATOM 0 HD13 LEU A 108 2.016 3.621 4.634 1.00 60.20 H new ATOM 0 HD21 LEU A 108 -0.884 3.368 5.596 1.00 20.10 H new ATOM 0 HD22 LEU A 108 0.063 2.039 4.886 1.00 20.10 H new ATOM 0 HD23 LEU A 108 -0.693 1.839 6.485 1.00 20.10 H new ATOM 1688 N THR A 109 2.798 1.520 10.134 1.00 35.43 N ATOM 1689 CA THR A 109 3.102 2.244 11.353 1.00 54.10 C ATOM 1690 C THR A 109 4.234 3.223 11.075 1.00 40.04 C ATOM 1691 O THR A 109 5.327 2.814 10.670 1.00 20.23 O ATOM 1692 CB THR A 109 3.529 1.271 12.469 1.00 15.23 C ATOM 1693 OG1 THR A 109 2.643 0.143 12.492 1.00 33.34 O ATOM 1694 CG2 THR A 109 3.515 1.958 13.828 1.00 10.14 C ATOM 0 H THR A 109 3.397 0.711 9.971 1.00 35.43 H new ATOM 0 HA THR A 109 2.211 2.779 11.681 1.00 54.10 H new ATOM 0 HB THR A 109 4.546 0.938 12.262 1.00 15.23 H new ATOM 0 HG1 THR A 109 2.918 -0.475 13.201 1.00 33.34 H new ATOM 0 HG21 THR A 109 3.820 1.249 14.597 1.00 10.14 H new ATOM 0 HG22 THR A 109 4.206 2.801 13.817 1.00 10.14 H new ATOM 0 HG23 THR A 109 2.509 2.317 14.044 1.00 10.14 H new ATOM 1702 N TYR A 110 3.989 4.506 11.278 1.00 61.54 N ATOM 1703 CA TYR A 110 4.964 5.510 10.912 1.00 44.14 C ATOM 1704 C TYR A 110 4.782 6.782 11.721 1.00 52.14 C ATOM 1705 O TYR A 110 3.767 6.979 12.390 1.00 62.45 O ATOM 1706 CB TYR A 110 4.874 5.819 9.409 1.00 40.11 C ATOM 1707 CG TYR A 110 3.608 6.537 8.981 1.00 1.51 C ATOM 1708 CD1 TYR A 110 2.408 5.852 8.816 1.00 53.43 C ATOM 1709 CD2 TYR A 110 3.619 7.905 8.728 1.00 14.33 C ATOM 1710 CE1 TYR A 110 1.260 6.510 8.412 1.00 2.12 C ATOM 1711 CE2 TYR A 110 2.477 8.568 8.323 1.00 32.40 C ATOM 1712 CZ TYR A 110 1.300 7.868 8.166 1.00 4.43 C ATOM 1713 OH TYR A 110 0.161 8.526 7.759 1.00 63.43 O ATOM 0 H TYR A 110 3.131 4.871 11.691 1.00 61.54 H new ATOM 0 HA TYR A 110 5.953 5.110 11.135 1.00 44.14 H new ATOM 0 HB2 TYR A 110 5.733 6.427 9.125 1.00 40.11 H new ATOM 0 HB3 TYR A 110 4.949 4.883 8.855 1.00 40.11 H new ATOM 0 HD1 TYR A 110 2.372 4.790 9.006 1.00 53.43 H new ATOM 0 HD2 TYR A 110 4.538 8.459 8.851 1.00 14.33 H new ATOM 0 HE1 TYR A 110 0.336 5.964 8.290 1.00 2.12 H new ATOM 0 HE2 TYR A 110 2.506 9.630 8.130 1.00 32.40 H new ATOM 0 HH TYR A 110 0.361 9.477 7.631 1.00 63.43 H new ATOM 1782 N GLY A 115 6.303 18.923 8.015 1.00 23.42 N ATOM 1783 CA GLY A 115 5.272 19.616 7.267 1.00 33.45 C ATOM 1784 C GLY A 115 5.672 19.887 5.830 1.00 42.25 C ATOM 1785 O GLY A 115 4.829 20.232 5.002 1.00 40.42 O ATOM 0 HA2 GLY A 115 4.359 19.021 7.279 1.00 33.45 H new ATOM 0 HA3 GLY A 115 5.044 20.561 7.760 1.00 33.45 H new ATOM 1789 N SER A 116 6.952 19.712 5.522 1.00 50.43 N ATOM 1790 CA SER A 116 7.457 19.980 4.182 1.00 14.11 C ATOM 1791 C SER A 116 6.814 19.034 3.169 1.00 44.12 C ATOM 1792 O SER A 116 6.301 19.470 2.137 1.00 74.03 O ATOM 1793 CB SER A 116 8.980 19.840 4.150 1.00 0.21 C ATOM 1794 OG SER A 116 9.515 20.323 2.930 1.00 30.23 O ATOM 0 H SER A 116 7.658 19.386 6.182 1.00 50.43 H new ATOM 0 HA SER A 116 7.196 21.003 3.912 1.00 14.11 H new ATOM 0 HB2 SER A 116 9.416 20.390 4.984 1.00 0.21 H new ATOM 0 HB3 SER A 116 9.254 18.793 4.281 1.00 0.21 H new ATOM 0 HG SER A 116 10.490 20.223 2.938 1.00 30.23 H new ATOM 1800 N ALA A 117 6.818 17.741 3.485 1.00 41.52 N ATOM 1801 CA ALA A 117 6.205 16.739 2.619 1.00 23.20 C ATOM 1802 C ALA A 117 4.706 16.986 2.484 1.00 75.32 C ATOM 1803 O ALA A 117 4.115 16.731 1.432 1.00 43.35 O ATOM 1804 CB ALA A 117 6.465 15.341 3.160 1.00 53.22 C ATOM 0 H ALA A 117 7.239 17.364 4.334 1.00 41.52 H new ATOM 0 HA ALA A 117 6.656 16.820 1.630 1.00 23.20 H new ATOM 0 HB1 ALA A 117 6.002 14.605 2.503 1.00 53.22 H new ATOM 0 HB2 ALA A 117 7.539 15.162 3.205 1.00 53.22 H new ATOM 0 HB3 ALA A 117 6.041 15.253 4.160 1.00 53.22 H new ATOM 1810 N GLY A 118 4.108 17.506 3.551 1.00 64.33 N ATOM 1811 CA GLY A 118 2.689 17.803 3.546 1.00 43.41 C ATOM 1812 C GLY A 118 2.351 18.968 2.638 1.00 44.13 C ATOM 1813 O GLY A 118 1.254 19.036 2.086 1.00 43.25 O ATOM 0 H GLY A 118 4.586 17.728 4.424 1.00 64.33 H new ATOM 0 HA2 GLY A 118 2.136 16.921 3.223 1.00 43.41 H new ATOM 0 HA3 GLY A 118 2.363 18.030 4.561 1.00 43.41 H new ATOM 1817 N ALA A 119 3.296 19.883 2.475 1.00 42.31 N ATOM 1818 CA ALA A 119 3.108 21.025 1.599 1.00 15.21 C ATOM 1819 C ALA A 119 3.193 20.602 0.138 1.00 12.01 C ATOM 1820 O ALA A 119 2.539 21.183 -0.728 1.00 65.25 O ATOM 1821 CB ALA A 119 4.138 22.101 1.903 1.00 1.14 C ATOM 0 H ALA A 119 4.203 19.854 2.941 1.00 42.31 H new ATOM 0 HA ALA A 119 2.114 21.436 1.778 1.00 15.21 H new ATOM 0 HB1 ALA A 119 3.984 22.951 1.238 1.00 1.14 H new ATOM 0 HB2 ALA A 119 4.030 22.426 2.938 1.00 1.14 H new ATOM 0 HB3 ALA A 119 5.140 21.699 1.752 1.00 1.14 H new ATOM 1827 N VAL A 120 4.001 19.582 -0.127 1.00 51.32 N ATOM 1828 CA VAL A 120 4.153 19.060 -1.479 1.00 41.34 C ATOM 1829 C VAL A 120 2.874 18.360 -1.931 1.00 55.01 C ATOM 1830 O VAL A 120 2.344 18.639 -3.010 1.00 14.22 O ATOM 1831 CB VAL A 120 5.335 18.071 -1.580 1.00 1.42 C ATOM 1832 CG1 VAL A 120 5.498 17.563 -3.005 1.00 64.33 C ATOM 1833 CG2 VAL A 120 6.622 18.718 -1.094 1.00 13.11 C ATOM 0 H VAL A 120 4.561 19.100 0.577 1.00 51.32 H new ATOM 0 HA VAL A 120 4.356 19.911 -2.129 1.00 41.34 H new ATOM 0 HB VAL A 120 5.116 17.218 -0.938 1.00 1.42 H new ATOM 0 HG11 VAL A 120 6.337 16.868 -3.050 1.00 64.33 H new ATOM 0 HG12 VAL A 120 4.587 17.052 -3.316 1.00 64.33 H new ATOM 0 HG13 VAL A 120 5.688 18.404 -3.672 1.00 64.33 H new ATOM 0 HG21 VAL A 120 7.441 18.003 -1.174 1.00 13.11 H new ATOM 0 HG22 VAL A 120 6.843 19.593 -1.705 1.00 13.11 H new ATOM 0 HG23 VAL A 120 6.506 19.022 -0.054 1.00 13.11 H new ATOM 1843 N ILE A 121 2.369 17.464 -1.090 1.00 25.23 N ATOM 1844 CA ILE A 121 1.166 16.709 -1.414 1.00 33.10 C ATOM 1845 C ILE A 121 -0.067 17.609 -1.422 1.00 63.23 C ATOM 1846 O ILE A 121 -1.075 17.279 -2.040 1.00 52.13 O ATOM 1847 CB ILE A 121 0.946 15.518 -0.453 1.00 2.50 C ATOM 1848 CG1 ILE A 121 0.871 15.991 1.003 1.00 34.43 C ATOM 1849 CG2 ILE A 121 2.058 14.489 -0.633 1.00 33.22 C ATOM 1850 CD1 ILE A 121 0.634 14.874 1.997 1.00 24.12 C ATOM 0 H ILE A 121 2.774 17.244 -0.180 1.00 25.23 H new ATOM 0 HA ILE A 121 1.314 16.306 -2.416 1.00 33.10 H new ATOM 0 HB ILE A 121 -0.007 15.049 -0.697 1.00 2.50 H new ATOM 0 HG12 ILE A 121 1.800 16.501 1.258 1.00 34.43 H new ATOM 0 HG13 ILE A 121 0.070 16.724 1.096 1.00 34.43 H new ATOM 0 HG21 ILE A 121 1.895 13.654 0.048 1.00 33.22 H new ATOM 0 HG22 ILE A 121 2.054 14.125 -1.661 1.00 33.22 H new ATOM 0 HG23 ILE A 121 3.021 14.952 -0.415 1.00 33.22 H new ATOM 0 HD11 ILE A 121 0.593 15.287 3.005 1.00 24.12 H new ATOM 0 HD12 ILE A 121 -0.310 14.378 1.769 1.00 24.12 H new ATOM 0 HD13 ILE A 121 1.448 14.152 1.933 1.00 24.12 H new ATOM 1862 N ALA A 122 0.023 18.747 -0.738 1.00 53.32 N ATOM 1863 CA ALA A 122 -1.073 19.711 -0.704 1.00 63.10 C ATOM 1864 C ALA A 122 -1.427 20.201 -2.107 1.00 54.33 C ATOM 1865 O ALA A 122 -2.602 20.379 -2.432 1.00 44.14 O ATOM 1866 CB ALA A 122 -0.716 20.890 0.191 1.00 14.24 C ATOM 0 H ALA A 122 0.844 19.024 -0.200 1.00 53.32 H new ATOM 0 HA ALA A 122 -1.947 19.206 -0.293 1.00 63.10 H new ATOM 0 HB1 ALA A 122 -1.543 21.599 0.206 1.00 14.24 H new ATOM 0 HB2 ALA A 122 -0.526 20.534 1.203 1.00 14.24 H new ATOM 0 HB3 ALA A 122 0.177 21.382 -0.194 1.00 14.24 H new ATOM 1872 N ARG A 123 -0.412 20.425 -2.935 1.00 4.01 N ATOM 1873 CA ARG A 123 -0.641 20.867 -4.308 1.00 43.32 C ATOM 1874 C ARG A 123 -0.776 19.660 -5.235 1.00 62.32 C ATOM 1875 O ARG A 123 -1.352 19.749 -6.319 1.00 0.02 O ATOM 1876 CB ARG A 123 0.503 21.769 -4.782 1.00 74.34 C ATOM 1877 CG ARG A 123 0.121 22.663 -5.955 1.00 62.03 C ATOM 1878 CD ARG A 123 1.318 23.420 -6.508 1.00 51.34 C ATOM 1879 NE ARG A 123 2.213 22.553 -7.276 1.00 21.32 N ATOM 1880 CZ ARG A 123 3.406 22.930 -7.735 1.00 13.41 C ATOM 1881 NH1 ARG A 123 3.863 24.150 -7.488 1.00 34.21 N ATOM 1882 NH2 ARG A 123 4.141 22.091 -8.453 1.00 33.33 N ATOM 0 H ARG A 123 0.570 20.309 -2.683 1.00 4.01 H new ATOM 0 HA ARG A 123 -1.568 21.440 -4.335 1.00 43.32 H new ATOM 0 HB2 ARG A 123 0.832 22.393 -3.951 1.00 74.34 H new ATOM 0 HB3 ARG A 123 1.351 21.147 -5.069 1.00 74.34 H new ATOM 0 HG2 ARG A 123 -0.320 22.055 -6.745 1.00 62.03 H new ATOM 0 HG3 ARG A 123 -0.641 23.374 -5.636 1.00 62.03 H new ATOM 0 HD2 ARG A 123 0.969 24.234 -7.144 1.00 51.34 H new ATOM 0 HD3 ARG A 123 1.871 23.873 -5.685 1.00 51.34 H new ATOM 0 HE ARG A 123 1.904 21.601 -7.472 1.00 21.32 H new ATOM 0 HH11 ARG A 123 3.301 24.805 -6.944 1.00 34.21 H new ATOM 0 HH12 ARG A 123 4.777 24.434 -7.842 1.00 34.21 H new ATOM 0 HH21 ARG A 123 3.794 21.154 -8.656 1.00 33.33 H new ATOM 0 HH22 ARG A 123 5.054 22.383 -8.803 1.00 33.33 H new ATOM 1896 N MET A 124 -0.217 18.536 -4.803 1.00 72.30 N ATOM 1897 CA MET A 124 -0.276 17.293 -5.569 1.00 63.14 C ATOM 1898 C MET A 124 -1.686 16.701 -5.545 1.00 2.22 C ATOM 1899 O MET A 124 -2.121 16.062 -6.506 1.00 54.51 O ATOM 1900 CB MET A 124 0.730 16.286 -5.000 1.00 64.02 C ATOM 1901 CG MET A 124 0.762 14.953 -5.731 1.00 44.53 C ATOM 1902 SD MET A 124 1.268 15.111 -7.454 1.00 71.43 S ATOM 1903 CE MET A 124 1.234 13.395 -7.970 1.00 41.10 C ATOM 0 H MET A 124 0.287 18.458 -3.919 1.00 72.30 H new ATOM 0 HA MET A 124 -0.020 17.513 -6.605 1.00 63.14 H new ATOM 0 HB2 MET A 124 1.726 16.728 -5.031 1.00 64.02 H new ATOM 0 HB3 MET A 124 0.493 16.106 -3.951 1.00 64.02 H new ATOM 0 HG2 MET A 124 1.447 14.279 -5.217 1.00 44.53 H new ATOM 0 HG3 MET A 124 -0.227 14.497 -5.688 1.00 44.53 H new ATOM 0 HE1 MET A 124 1.524 13.324 -9.018 1.00 41.10 H new ATOM 0 HE2 MET A 124 1.930 12.818 -7.361 1.00 41.10 H new ATOM 0 HE3 MET A 124 0.227 12.997 -7.845 1.00 41.10 H new ATOM 2057 N ARG A 134 -6.049 8.774 3.081 1.00 41.02 N ATOM 2058 CA ARG A 134 -4.810 9.460 3.408 1.00 31.12 C ATOM 2059 C ARG A 134 -4.115 9.943 2.147 1.00 62.00 C ATOM 2060 O ARG A 134 -3.995 9.202 1.173 1.00 32.51 O ATOM 2061 CB ARG A 134 -3.874 8.550 4.212 1.00 51.00 C ATOM 2062 CG ARG A 134 -4.137 8.557 5.712 1.00 42.25 C ATOM 2063 CD ARG A 134 -3.732 9.884 6.349 1.00 20.21 C ATOM 2064 NE ARG A 134 -4.602 10.991 5.939 1.00 70.04 N ATOM 2065 CZ ARG A 134 -4.172 12.097 5.326 1.00 52.32 C ATOM 2066 NH1 ARG A 134 -2.889 12.239 5.011 1.00 21.00 N ATOM 2067 NH2 ARG A 134 -5.032 13.055 4.997 1.00 44.21 N ATOM 0 HA ARG A 134 -5.060 10.325 4.022 1.00 31.12 H new ATOM 0 HB2 ARG A 134 -3.971 7.529 3.842 1.00 51.00 H new ATOM 0 HB3 ARG A 134 -2.844 8.858 4.033 1.00 51.00 H new ATOM 0 HG2 ARG A 134 -5.195 8.372 5.897 1.00 42.25 H new ATOM 0 HG3 ARG A 134 -3.584 7.744 6.182 1.00 42.25 H new ATOM 0 HD2 ARG A 134 -3.760 9.786 7.434 1.00 20.21 H new ATOM 0 HD3 ARG A 134 -2.702 10.115 6.077 1.00 20.21 H new ATOM 0 HE ARG A 134 -5.600 10.911 6.135 1.00 70.04 H new ATOM 0 HH11 ARG A 134 -2.223 11.500 5.237 1.00 21.00 H new ATOM 0 HH12 ARG A 134 -2.570 13.087 4.543 1.00 21.00 H new ATOM 0 HH21 ARG A 134 -6.023 12.947 5.213 1.00 44.21 H new ATOM 0 HH22 ARG A 134 -4.701 13.899 4.529 1.00 44.21 H new ATOM 2081 N ASP A 135 -3.659 11.191 2.171 1.00 33.13 N ATOM 2082 CA ASP A 135 -2.937 11.771 1.042 1.00 1.12 C ATOM 2083 C ASP A 135 -1.664 10.975 0.799 1.00 2.42 C ATOM 2084 O ASP A 135 -1.189 10.856 -0.332 1.00 13.24 O ATOM 2085 CB ASP A 135 -2.579 13.238 1.312 1.00 53.23 C ATOM 2086 CG ASP A 135 -3.729 14.036 1.894 1.00 3.11 C ATOM 2087 OD1 ASP A 135 -4.696 14.333 1.164 1.00 15.35 O ATOM 2088 OD2 ASP A 135 -3.671 14.363 3.098 1.00 21.40 O ATOM 0 H ASP A 135 -3.777 11.823 2.963 1.00 33.13 H new ATOM 0 HA ASP A 135 -3.579 11.731 0.162 1.00 1.12 H new ATOM 0 HB2 ASP A 135 -1.733 13.278 1.998 1.00 53.23 H new ATOM 0 HB3 ASP A 135 -2.257 13.704 0.381 1.00 53.23 H new ATOM 2093 N ASP A 136 -1.132 10.427 1.889 1.00 31.01 N ATOM 2094 CA ASP A 136 0.046 9.570 1.859 1.00 1.33 C ATOM 2095 C ASP A 136 -0.149 8.433 0.864 1.00 22.14 C ATOM 2096 O ASP A 136 0.667 8.223 -0.033 1.00 44.01 O ATOM 2097 CB ASP A 136 0.289 8.969 3.251 1.00 62.01 C ATOM 2098 CG ASP A 136 0.191 9.989 4.371 1.00 60.12 C ATOM 2099 OD1 ASP A 136 -0.939 10.450 4.662 1.00 71.21 O ATOM 2100 OD2 ASP A 136 1.234 10.323 4.965 1.00 51.10 O ATOM 0 H ASP A 136 -1.511 10.568 2.825 1.00 31.01 H new ATOM 0 HA ASP A 136 0.902 10.174 1.558 1.00 1.33 H new ATOM 0 HB2 ASP A 136 -0.436 8.175 3.428 1.00 62.01 H new ATOM 0 HB3 ASP A 136 1.277 8.509 3.273 1.00 62.01 H new ATOM 2105 N LEU A 137 -1.250 7.714 1.025 1.00 23.12 N ATOM 2106 CA LEU A 137 -1.558 6.571 0.182 1.00 3.12 C ATOM 2107 C LEU A 137 -2.137 7.020 -1.153 1.00 24.21 C ATOM 2108 O LEU A 137 -1.932 6.375 -2.182 1.00 63.05 O ATOM 2109 CB LEU A 137 -2.542 5.648 0.903 1.00 13.00 C ATOM 2110 CG LEU A 137 -2.066 4.207 1.098 1.00 11.35 C ATOM 2111 CD1 LEU A 137 -0.777 4.166 1.909 1.00 53.01 C ATOM 2112 CD2 LEU A 137 -3.146 3.379 1.771 1.00 13.02 C ATOM 0 H LEU A 137 -1.951 7.906 1.740 1.00 23.12 H new ATOM 0 HA LEU A 137 -0.635 6.027 -0.017 1.00 3.12 H new ATOM 0 HB2 LEU A 137 -2.765 6.075 1.881 1.00 13.00 H new ATOM 0 HB3 LEU A 137 -3.476 5.632 0.342 1.00 13.00 H new ATOM 0 HG LEU A 137 -1.862 3.779 0.116 1.00 11.35 H new ATOM 0 HD11 LEU A 137 -0.459 3.131 2.034 1.00 53.01 H new ATOM 0 HD12 LEU A 137 -0.000 4.724 1.386 1.00 53.01 H new ATOM 0 HD13 LEU A 137 -0.949 4.614 2.888 1.00 53.01 H new ATOM 0 HD21 LEU A 137 -2.792 2.357 1.902 1.00 13.02 H new ATOM 0 HD22 LEU A 137 -3.381 3.810 2.744 1.00 13.02 H new ATOM 0 HD23 LEU A 137 -4.042 3.376 1.150 1.00 13.02 H new ATOM 2124 N MET A 138 -2.847 8.139 -1.130 1.00 40.34 N ATOM 2125 CA MET A 138 -3.502 8.666 -2.321 1.00 33.03 C ATOM 2126 C MET A 138 -2.484 9.052 -3.392 1.00 44.40 C ATOM 2127 O MET A 138 -2.790 9.048 -4.588 1.00 41.42 O ATOM 2128 CB MET A 138 -4.361 9.877 -1.949 1.00 34.12 C ATOM 2129 CG MET A 138 -5.276 10.349 -3.068 1.00 34.41 C ATOM 2130 SD MET A 138 -6.321 9.027 -3.706 1.00 71.11 S ATOM 2131 CE MET A 138 -6.998 8.372 -2.181 1.00 42.25 C ATOM 0 H MET A 138 -2.985 8.704 -0.292 1.00 40.34 H new ATOM 0 HA MET A 138 -4.139 7.883 -2.733 1.00 33.03 H new ATOM 0 HB2 MET A 138 -4.967 9.627 -1.078 1.00 34.12 H new ATOM 0 HB3 MET A 138 -3.707 10.698 -1.657 1.00 34.12 H new ATOM 0 HG2 MET A 138 -5.905 11.160 -2.701 1.00 34.41 H new ATOM 0 HG3 MET A 138 -4.673 10.755 -3.880 1.00 34.41 H new ATOM 0 HE1 MET A 138 -7.865 7.751 -2.405 1.00 42.25 H new ATOM 0 HE2 MET A 138 -6.242 7.771 -1.676 1.00 42.25 H new ATOM 0 HE3 MET A 138 -7.299 9.195 -1.534 1.00 42.25 H new ATOM 2141 N ARG A 139 -1.275 9.384 -2.953 1.00 53.33 N ATOM 2142 CA ARG A 139 -0.210 9.783 -3.861 1.00 12.35 C ATOM 2143 C ARG A 139 0.162 8.643 -4.810 1.00 23.03 C ATOM 2144 O ARG A 139 0.140 8.812 -6.029 1.00 20.03 O ATOM 2145 CB ARG A 139 1.020 10.235 -3.067 1.00 32.12 C ATOM 2146 CG ARG A 139 2.145 10.760 -3.943 1.00 2.22 C ATOM 2147 CD ARG A 139 3.354 11.177 -3.119 1.00 33.13 C ATOM 2148 NE ARG A 139 3.965 10.047 -2.419 1.00 5.53 N ATOM 2149 CZ ARG A 139 5.194 10.065 -1.903 1.00 64.01 C ATOM 2150 NH1 ARG A 139 5.951 11.151 -2.025 1.00 62.04 N ATOM 2151 NH2 ARG A 139 5.667 8.990 -1.282 1.00 12.43 N ATOM 0 H ARG A 139 -1.009 9.384 -1.968 1.00 53.33 H new ATOM 0 HA ARG A 139 -0.572 10.617 -4.462 1.00 12.35 H new ATOM 0 HB2 ARG A 139 0.723 11.014 -2.364 1.00 32.12 H new ATOM 0 HB3 ARG A 139 1.390 9.397 -2.477 1.00 32.12 H new ATOM 0 HG2 ARG A 139 2.439 9.991 -4.657 1.00 2.22 H new ATOM 0 HG3 ARG A 139 1.788 11.612 -4.522 1.00 2.22 H new ATOM 0 HD2 ARG A 139 4.094 11.640 -3.772 1.00 33.13 H new ATOM 0 HD3 ARG A 139 3.053 11.932 -2.393 1.00 33.13 H new ATOM 0 HE ARG A 139 3.417 9.193 -2.320 1.00 5.53 H new ATOM 0 HH11 ARG A 139 5.591 11.971 -2.514 1.00 62.04 H new ATOM 0 HH12 ARG A 139 6.891 11.164 -1.630 1.00 62.04 H new ATOM 0 HH21 ARG A 139 5.090 8.153 -1.201 1.00 12.43 H new ATOM 0 HH22 ARG A 139 6.607 9.002 -0.887 1.00 12.43 H new ATOM 2165 N PHE A 140 0.487 7.481 -4.252 1.00 51.01 N ATOM 2166 CA PHE A 140 0.903 6.348 -5.069 1.00 44.23 C ATOM 2167 C PHE A 140 -0.307 5.689 -5.724 1.00 65.32 C ATOM 2168 O PHE A 140 -0.192 5.117 -6.809 1.00 72.22 O ATOM 2169 CB PHE A 140 1.719 5.327 -4.251 1.00 40.13 C ATOM 2170 CG PHE A 140 0.908 4.280 -3.533 1.00 24.05 C ATOM 2171 CD1 PHE A 140 0.579 3.091 -4.168 1.00 62.04 C ATOM 2172 CD2 PHE A 140 0.483 4.474 -2.229 1.00 32.32 C ATOM 2173 CE1 PHE A 140 -0.157 2.121 -3.519 1.00 31.50 C ATOM 2174 CE2 PHE A 140 -0.253 3.504 -1.576 1.00 64.21 C ATOM 2175 CZ PHE A 140 -0.573 2.327 -2.221 1.00 10.11 C ATOM 0 H PHE A 140 0.471 7.301 -3.248 1.00 51.01 H new ATOM 0 HA PHE A 140 1.556 6.725 -5.856 1.00 44.23 H new ATOM 0 HB2 PHE A 140 2.418 4.825 -4.921 1.00 40.13 H new ATOM 0 HB3 PHE A 140 2.315 5.868 -3.516 1.00 40.13 H new ATOM 0 HD1 PHE A 140 0.903 2.922 -5.184 1.00 62.04 H new ATOM 0 HD2 PHE A 140 0.729 5.393 -1.718 1.00 32.32 H new ATOM 0 HE1 PHE A 140 -0.407 1.201 -4.027 1.00 31.50 H new ATOM 0 HE2 PHE A 140 -0.578 3.667 -0.559 1.00 64.21 H new ATOM 0 HZ PHE A 140 -1.148 1.569 -1.710 1.00 10.11 H new ATOM 2185 N LYS A 141 -1.462 5.768 -5.055 1.00 24.53 N ATOM 2186 CA LYS A 141 -2.703 5.202 -5.580 1.00 2.21 C ATOM 2187 C LYS A 141 -2.942 5.634 -7.020 1.00 4.34 C ATOM 2188 O LYS A 141 -3.156 4.801 -7.902 1.00 40.22 O ATOM 2189 CB LYS A 141 -3.899 5.632 -4.722 1.00 3.24 C ATOM 2190 CG LYS A 141 -5.245 5.283 -5.344 1.00 0.14 C ATOM 2191 CD LYS A 141 -6.406 5.768 -4.493 1.00 52.12 C ATOM 2192 CE LYS A 141 -7.748 5.492 -5.157 1.00 55.14 C ATOM 2193 NZ LYS A 141 -7.887 6.194 -6.464 1.00 41.42 N ATOM 0 H LYS A 141 -1.560 6.221 -4.146 1.00 24.53 H new ATOM 0 HA LYS A 141 -2.603 4.117 -5.549 1.00 2.21 H new ATOM 0 HB2 LYS A 141 -3.825 5.157 -3.744 1.00 3.24 H new ATOM 0 HB3 LYS A 141 -3.851 6.709 -4.558 1.00 3.24 H new ATOM 0 HG2 LYS A 141 -5.312 5.728 -6.337 1.00 0.14 H new ATOM 0 HG3 LYS A 141 -5.316 4.203 -5.473 1.00 0.14 H new ATOM 0 HD2 LYS A 141 -6.374 5.277 -3.520 1.00 52.12 H new ATOM 0 HD3 LYS A 141 -6.303 6.838 -4.313 1.00 52.12 H new ATOM 0 HE2 LYS A 141 -7.861 4.419 -5.310 1.00 55.14 H new ATOM 0 HE3 LYS A 141 -8.552 5.806 -4.491 1.00 55.14 H new ATOM 0 HZ1 LYS A 141 -8.895 6.280 -6.707 1.00 41.42 H new ATOM 0 HZ2 LYS A 141 -7.466 7.142 -6.395 1.00 41.42 H new ATOM 0 HZ3 LYS A 141 -7.398 5.651 -7.204 1.00 41.42 H new ATOM 2207 N ARG A 142 -2.881 6.937 -7.251 1.00 21.45 N ATOM 2208 CA ARG A 142 -3.200 7.492 -8.557 1.00 12.13 C ATOM 2209 C ARG A 142 -2.157 7.070 -9.592 1.00 52.32 C ATOM 2210 O ARG A 142 -2.474 6.894 -10.766 1.00 34.44 O ATOM 2211 CB ARG A 142 -3.318 9.019 -8.476 1.00 20.44 C ATOM 2212 CG ARG A 142 -4.174 9.619 -9.583 1.00 30.13 C ATOM 2213 CD ARG A 142 -3.370 9.906 -10.841 1.00 64.41 C ATOM 2214 NE ARG A 142 -2.738 11.227 -10.796 1.00 35.34 N ATOM 2215 CZ ARG A 142 -2.983 12.192 -11.684 1.00 34.55 C ATOM 2216 NH1 ARG A 142 -3.749 11.944 -12.743 1.00 63.04 N ATOM 2217 NH2 ARG A 142 -2.450 13.398 -11.525 1.00 4.12 N ATOM 0 H ARG A 142 -2.614 7.629 -6.551 1.00 21.45 H new ATOM 0 HA ARG A 142 -4.164 7.097 -8.877 1.00 12.13 H new ATOM 0 HB2 ARG A 142 -3.743 9.292 -7.510 1.00 20.44 H new ATOM 0 HB3 ARG A 142 -2.320 9.456 -8.521 1.00 20.44 H new ATOM 0 HG2 ARG A 142 -4.987 8.934 -9.822 1.00 30.13 H new ATOM 0 HG3 ARG A 142 -4.630 10.543 -9.227 1.00 30.13 H new ATOM 0 HD2 ARG A 142 -2.604 9.141 -10.964 1.00 64.41 H new ATOM 0 HD3 ARG A 142 -4.024 9.846 -11.711 1.00 64.41 H new ATOM 0 HE ARG A 142 -2.075 11.419 -10.045 1.00 35.34 H new ATOM 0 HH11 ARG A 142 -4.150 11.015 -12.877 1.00 63.04 H new ATOM 0 HH12 ARG A 142 -3.936 12.682 -13.421 1.00 63.04 H new ATOM 0 HH21 ARG A 142 -1.851 13.589 -10.722 1.00 4.12 H new ATOM 0 HH22 ARG A 142 -2.640 14.133 -12.206 1.00 4.12 H new ATOM 2231 N GLU A 143 -0.924 6.876 -9.149 1.00 45.31 N ATOM 2232 CA GLU A 143 0.139 6.428 -10.040 1.00 3.01 C ATOM 2233 C GLU A 143 -0.075 4.965 -10.420 1.00 71.12 C ATOM 2234 O GLU A 143 0.184 4.564 -11.554 1.00 13.42 O ATOM 2235 CB GLU A 143 1.509 6.608 -9.382 1.00 51.04 C ATOM 2236 CG GLU A 143 1.850 8.054 -9.064 1.00 12.55 C ATOM 2237 CD GLU A 143 1.923 8.922 -10.304 1.00 5.11 C ATOM 2238 OE1 GLU A 143 3.012 8.993 -10.920 1.00 51.34 O ATOM 2239 OE2 GLU A 143 0.902 9.542 -10.661 1.00 74.11 O ATOM 0 H GLU A 143 -0.634 7.021 -8.182 1.00 45.31 H new ATOM 0 HA GLU A 143 0.110 7.036 -10.944 1.00 3.01 H new ATOM 0 HB2 GLU A 143 1.539 6.026 -8.461 1.00 51.04 H new ATOM 0 HB3 GLU A 143 2.275 6.200 -10.041 1.00 51.04 H new ATOM 0 HG2 GLU A 143 1.100 8.459 -8.385 1.00 12.55 H new ATOM 0 HG3 GLU A 143 2.806 8.092 -8.542 1.00 12.55 H new ATOM 2246 N GLN A 144 -0.565 4.177 -9.468 1.00 74.04 N ATOM 2247 CA GLN A 144 -0.862 2.766 -9.704 1.00 34.25 C ATOM 2248 C GLN A 144 -1.972 2.595 -10.736 1.00 14.54 C ATOM 2249 O GLN A 144 -1.930 1.686 -11.563 1.00 43.43 O ATOM 2250 CB GLN A 144 -1.277 2.077 -8.401 1.00 73.42 C ATOM 2251 CG GLN A 144 -0.118 1.749 -7.481 1.00 22.13 C ATOM 2252 CD GLN A 144 0.789 0.681 -8.063 1.00 41.40 C ATOM 2253 OE1 GLN A 144 1.749 0.977 -8.776 1.00 41.33 O ATOM 2254 NE2 GLN A 144 0.495 -0.572 -7.745 1.00 50.24 N ATOM 0 H GLN A 144 -0.766 4.493 -8.519 1.00 74.04 H new ATOM 0 HA GLN A 144 0.048 2.304 -10.088 1.00 34.25 H new ATOM 0 HB2 GLN A 144 -1.979 2.720 -7.870 1.00 73.42 H new ATOM 0 HB3 GLN A 144 -1.808 1.156 -8.642 1.00 73.42 H new ATOM 0 HG2 GLN A 144 0.462 2.653 -7.293 1.00 22.13 H new ATOM 0 HG3 GLN A 144 -0.504 1.411 -6.519 1.00 22.13 H new ATOM 0 HE21 GLN A 144 -0.310 -0.772 -7.151 1.00 50.24 H new ATOM 0 HE22 GLN A 144 1.074 -1.336 -8.094 1.00 50.24 H new ATOM 2263 N GLU A 145 -2.964 3.471 -10.680 1.00 74.31 N ATOM 2264 CA GLU A 145 -4.122 3.366 -11.556 1.00 51.31 C ATOM 2265 C GLU A 145 -3.886 4.091 -12.880 1.00 72.15 C ATOM 2266 O GLU A 145 -4.712 4.023 -13.791 1.00 74.42 O ATOM 2267 CB GLU A 145 -5.361 3.921 -10.846 1.00 51.33 C ATOM 2268 CG GLU A 145 -5.259 5.396 -10.493 1.00 34.25 C ATOM 2269 CD GLU A 145 -6.375 5.857 -9.578 1.00 53.44 C ATOM 2270 OE1 GLU A 145 -6.422 5.404 -8.419 1.00 74.14 O ATOM 2271 OE2 GLU A 145 -7.208 6.686 -10.010 1.00 4.20 O ATOM 0 H GLU A 145 -2.991 4.263 -10.037 1.00 74.31 H new ATOM 0 HA GLU A 145 -4.286 2.313 -11.786 1.00 51.31 H new ATOM 0 HB2 GLU A 145 -6.232 3.769 -11.484 1.00 51.33 H new ATOM 0 HB3 GLU A 145 -5.531 3.350 -9.933 1.00 51.33 H new ATOM 0 HG2 GLU A 145 -4.299 5.585 -10.012 1.00 34.25 H new ATOM 0 HG3 GLU A 145 -5.278 5.987 -11.409 1.00 34.25 H new ATOM 2278 N LEU A 146 -2.754 4.768 -12.990 1.00 24.42 N ATOM 2279 CA LEU A 146 -2.435 5.515 -14.199 1.00 72.13 C ATOM 2280 C LEU A 146 -1.277 4.868 -14.956 1.00 73.23 C ATOM 2281 O LEU A 146 -1.280 4.815 -16.188 1.00 42.13 O ATOM 2282 CB LEU A 146 -2.075 6.961 -13.847 1.00 2.22 C ATOM 2283 CG LEU A 146 -1.844 7.895 -15.039 1.00 1.31 C ATOM 2284 CD1 LEU A 146 -3.099 7.997 -15.896 1.00 50.22 C ATOM 2285 CD2 LEU A 146 -1.414 9.270 -14.557 1.00 14.10 C ATOM 0 H LEU A 146 -2.043 4.817 -12.261 1.00 24.42 H new ATOM 0 HA LEU A 146 -3.316 5.506 -14.841 1.00 72.13 H new ATOM 0 HB2 LEU A 146 -2.874 7.376 -13.233 1.00 2.22 H new ATOM 0 HB3 LEU A 146 -1.173 6.953 -13.235 1.00 2.22 H new ATOM 0 HG LEU A 146 -1.046 7.477 -15.653 1.00 1.31 H new ATOM 0 HD11 LEU A 146 -2.912 8.665 -16.737 1.00 50.22 H new ATOM 0 HD12 LEU A 146 -3.365 7.009 -16.270 1.00 50.22 H new ATOM 0 HD13 LEU A 146 -3.919 8.390 -15.295 1.00 50.22 H new ATOM 0 HD21 LEU A 146 -1.254 9.923 -15.415 1.00 14.10 H new ATOM 0 HD22 LEU A 146 -2.192 9.692 -13.920 1.00 14.10 H new ATOM 0 HD23 LEU A 146 -0.488 9.183 -13.989 1.00 14.10 H new ATOM 2297 N GLY A 147 -0.299 4.365 -14.212 1.00 0.31 N ATOM 2298 CA GLY A 147 0.918 3.858 -14.816 1.00 70.55 C ATOM 2299 C GLY A 147 0.765 2.485 -15.441 1.00 44.12 C ATOM 2300 O GLY A 147 0.179 1.573 -14.850 1.00 20.23 O ATOM 0 H GLY A 147 -0.328 4.299 -13.195 1.00 0.31 H new ATOM 0 HA2 GLY A 147 1.253 4.559 -15.580 1.00 70.55 H new ATOM 0 HA3 GLY A 147 1.699 3.816 -14.057 1.00 70.55 H new