USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 596 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 24 CYS SG : rot 40:sc= -1.49 USER MOD Set 1.2: A 78 LYS NZ :NH3+ 146:sc= -0.444 (180deg=-2.94!) USER MOD Set 2.1: A 74 THR OG1 : rot 160:sc= -2.42 USER MOD Set 2.2: A 77 MET CE :methyl -129:sc= -6.78! (180deg=-5.9!) USER MOD Set 3.1: A 50 LYS NZ :NH3+ -173:sc= -2.07 (180deg=-0.356) USER MOD Set 3.2: A 64 GLN : amide:sc= -9.24! C(o=-11!,f=-7.8!) USER MOD Set 4.1: A 25 GLN : amide:sc= -1.12 K(o=-1.2,f=-2.2) USER MOD Set 4.2: A 37 LYS NZ :NH3+ 136:sc= -0.0382 (180deg=-0.221) USER MOD Single : A 31 SER OG : rot 170:sc= -0.878 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= -1.45! (180deg=-1.62!) USER MOD Single : A 42 SER OG : rot 92:sc= 0.529 USER MOD Single : A 43 THR OG1 : rot -20:sc= 0.31 USER MOD Single : A 45 THR OG1 : rot -20:sc= -0.404 USER MOD Single : A 48 HIS : no HE2:sc= -2.63! C(o=-2.6!,f=-9.2!) USER MOD Single : A 49 MET CE :methyl -115:sc= -1.36 (180deg=-3.82) USER MOD Single : A 54 HIS : no HD1:sc= -5.84! C(o=-5.8!,f=-6.7!) USER MOD Single : A 63 SER OG : rot 33:sc= 0.0676 USER MOD Single : A 69 SER OG : rot -33:sc= 0.806 USER MOD Single : A 76 LYS NZ :NH3+ -122:sc= 0.603 (180deg=-0.319) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 132:sc= -0.108 (180deg=-0.489) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.774 K(o=-0.77,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 44 N CYS A 24 -12.592 -3.565 1.169 1.00 0.00 N ATOM 45 CA CYS A 24 -11.362 -3.978 0.500 1.00 0.00 C ATOM 46 C CYS A 24 -10.185 -3.910 1.470 1.00 0.00 C ATOM 47 O CYS A 24 -10.255 -3.228 2.492 1.00 0.00 O ATOM 48 CB CYS A 24 -11.102 -3.096 -0.724 1.00 0.00 C ATOM 49 SG CYS A 24 -12.530 -2.930 -1.821 1.00 0.00 S ATOM 0 HA CYS A 24 -11.474 -5.009 0.164 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.797 -2.105 -0.388 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -10.268 -3.512 -1.289 1.00 0.00 H new ATOM 0 HG CYS A 24 -13.612 -2.808 -1.110 1.00 0.00 H new ATOM 55 N GLN A 25 -9.107 -4.619 1.152 1.00 0.00 N ATOM 56 CA GLN A 25 -7.930 -4.643 2.009 1.00 0.00 C ATOM 57 C GLN A 25 -6.745 -5.279 1.290 1.00 0.00 C ATOM 58 O GLN A 25 -6.861 -6.357 0.710 1.00 0.00 O ATOM 59 CB GLN A 25 -8.238 -5.410 3.296 1.00 0.00 C ATOM 60 CG GLN A 25 -8.916 -6.749 3.057 1.00 0.00 C ATOM 61 CD GLN A 25 -9.289 -7.453 4.348 1.00 0.00 C ATOM 62 OE1 GLN A 25 -9.565 -6.811 5.360 1.00 0.00 O ATOM 63 NE2 GLN A 25 -9.300 -8.781 4.316 1.00 0.00 N ATOM 0 H GLN A 25 -9.025 -5.184 0.307 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.665 -3.615 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.309 -5.575 3.842 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.877 -4.796 3.931 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.814 -6.596 2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -8.252 -7.390 2.477 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.064 -9.272 3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.544 -9.309 5.154 1.00 0.00 H new ATOM 72 N LEU A 26 -5.605 -4.599 1.336 1.00 0.00 N ATOM 73 CA LEU A 26 -4.391 -5.091 0.684 1.00 0.00 C ATOM 74 C LEU A 26 -3.238 -5.194 1.680 1.00 0.00 C ATOM 75 O LEU A 26 -3.070 -4.332 2.544 1.00 0.00 O ATOM 76 CB LEU A 26 -4.009 -4.163 -0.472 1.00 0.00 C ATOM 77 CG LEU A 26 -3.264 -4.830 -1.631 1.00 0.00 C ATOM 78 CD1 LEU A 26 -3.091 -3.857 -2.785 1.00 0.00 C ATOM 79 CD2 LEU A 26 -1.917 -5.356 -1.168 1.00 0.00 C ATOM 0 H LEU A 26 -5.493 -3.706 1.817 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.590 -6.089 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.917 -3.704 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.388 -3.358 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.859 -5.674 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.559 -4.349 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.070 -3.531 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.519 -2.992 -2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.403 -5.827 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.314 -4.530 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.066 -6.089 -0.375 1.00 0.00 H new ATOM 91 N ARG A 27 -2.442 -6.258 1.547 1.00 0.00 N ATOM 92 CA ARG A 27 -1.309 -6.488 2.436 1.00 0.00 C ATOM 93 C ARG A 27 -0.081 -5.692 1.987 1.00 0.00 C ATOM 94 O ARG A 27 0.199 -5.584 0.793 1.00 0.00 O ATOM 95 CB ARG A 27 -0.989 -7.983 2.490 1.00 0.00 C ATOM 96 CG ARG A 27 -0.094 -8.378 3.653 1.00 0.00 C ATOM 97 CD ARG A 27 0.062 -9.888 3.742 1.00 0.00 C ATOM 98 NE ARG A 27 0.658 -10.307 5.010 1.00 0.00 N ATOM 99 CZ ARG A 27 0.740 -11.575 5.407 1.00 0.00 C ATOM 100 NH1 ARG A 27 0.274 -12.550 4.637 1.00 0.00 N ATOM 101 NH2 ARG A 27 1.290 -11.868 6.577 1.00 0.00 N ATOM 0 H ARG A 27 -2.565 -6.973 0.830 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.579 -6.143 3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.922 -8.542 2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.507 -8.276 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.886 -7.915 3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.515 -7.998 4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.914 -10.360 3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.684 -10.237 2.917 1.00 0.00 H new ATOM 0 HE ARG A 27 1.033 -9.586 5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.150 -12.330 3.736 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.340 -13.520 4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.650 -11.122 7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.353 -12.839 6.882 1.00 0.00 H new ATOM 115 N LEU A 28 0.646 -5.136 2.956 1.00 0.00 N ATOM 116 CA LEU A 28 1.841 -4.336 2.673 1.00 0.00 C ATOM 117 C LEU A 28 3.094 -4.969 3.261 1.00 0.00 C ATOM 118 O LEU A 28 3.273 -4.960 4.474 1.00 0.00 O ATOM 119 CB LEU A 28 1.690 -2.944 3.285 1.00 0.00 C ATOM 120 CG LEU A 28 0.938 -1.911 2.443 1.00 0.00 C ATOM 121 CD1 LEU A 28 1.913 -1.138 1.575 1.00 0.00 C ATOM 122 CD2 LEU A 28 -0.138 -2.572 1.591 1.00 0.00 C ATOM 0 H LEU A 28 0.428 -5.225 3.949 1.00 0.00 H new ATOM 0 HA LEU A 28 1.942 -4.280 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.177 -3.045 4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.685 -2.554 3.497 1.00 0.00 H new ATOM 0 HG LEU A 28 0.441 -1.215 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.368 -0.405 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.636 -0.625 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.436 -1.828 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.655 -1.813 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.323 -3.297 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.853 -3.080 2.238 1.00 0.00 H new ATOM 134 N ARG A 29 3.973 -5.487 2.411 1.00 0.00 N ATOM 135 CA ARG A 29 5.212 -6.096 2.893 1.00 0.00 C ATOM 136 C ARG A 29 6.304 -5.036 2.990 1.00 0.00 C ATOM 137 O ARG A 29 6.936 -4.698 1.989 1.00 0.00 O ATOM 138 CB ARG A 29 5.646 -7.230 1.964 1.00 0.00 C ATOM 139 CG ARG A 29 6.964 -7.873 2.362 1.00 0.00 C ATOM 140 CD ARG A 29 7.440 -8.863 1.311 1.00 0.00 C ATOM 141 NE ARG A 29 6.454 -9.911 1.058 1.00 0.00 N ATOM 142 CZ ARG A 29 6.491 -10.723 0.005 1.00 0.00 C ATOM 143 NH1 ARG A 29 7.461 -10.613 -0.894 1.00 0.00 N ATOM 144 NH2 ARG A 29 5.554 -11.648 -0.151 1.00 0.00 N ATOM 0 H ARG A 29 3.856 -5.499 1.398 1.00 0.00 H new ATOM 0 HA ARG A 29 5.039 -6.516 3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.869 -7.994 1.949 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.732 -6.843 0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.719 -7.100 2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.847 -8.384 3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.651 -8.332 0.383 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.375 -9.317 1.638 1.00 0.00 H new ATOM 0 HE ARG A 29 5.693 -10.027 1.728 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.184 -9.903 -0.780 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.484 -11.239 -1.699 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.805 -11.737 0.536 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.582 -12.271 -0.958 1.00 0.00 H new ATOM 158 N LEU A 30 6.537 -4.528 4.203 1.00 0.00 N ATOM 159 CA LEU A 30 7.522 -3.470 4.404 1.00 0.00 C ATOM 160 C LEU A 30 8.940 -4.005 4.554 1.00 0.00 C ATOM 161 O LEU A 30 9.168 -5.081 5.105 1.00 0.00 O ATOM 162 CB LEU A 30 7.128 -2.606 5.599 1.00 0.00 C ATOM 163 CG LEU A 30 6.003 -1.587 5.346 1.00 0.00 C ATOM 164 CD1 LEU A 30 6.523 -0.394 4.558 1.00 0.00 C ATOM 165 CD2 LEU A 30 4.814 -2.234 4.647 1.00 0.00 C ATOM 0 H LEU A 30 6.060 -4.831 5.052 1.00 0.00 H new ATOM 0 HA LEU A 30 7.524 -2.853 3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.821 -3.263 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.011 -2.066 5.940 1.00 0.00 H new ATOM 0 HG LEU A 30 5.655 -1.226 6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.711 0.313 4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.319 0.094 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.912 -0.734 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.037 -1.487 4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.133 -2.641 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.419 -3.037 5.269 1.00 0.00 H new ATOM 177 N SER A 31 9.888 -3.219 4.039 1.00 0.00 N ATOM 178 CA SER A 31 11.307 -3.564 4.063 1.00 0.00 C ATOM 179 C SER A 31 11.775 -3.953 5.459 1.00 0.00 C ATOM 180 O SER A 31 12.782 -4.644 5.609 1.00 0.00 O ATOM 181 CB SER A 31 12.142 -2.391 3.547 1.00 0.00 C ATOM 182 OG SER A 31 11.958 -1.239 4.352 1.00 0.00 O ATOM 0 H SER A 31 9.690 -2.323 3.593 1.00 0.00 H new ATOM 0 HA SER A 31 11.444 -4.428 3.413 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.196 -2.667 3.538 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.863 -2.167 2.517 1.00 0.00 H new ATOM 0 HG SER A 31 12.617 -0.558 4.103 1.00 0.00 H new ATOM 188 N THR A 32 11.051 -3.507 6.479 1.00 0.00 N ATOM 189 CA THR A 32 11.407 -3.837 7.850 1.00 0.00 C ATOM 190 C THR A 32 10.659 -5.083 8.304 1.00 0.00 C ATOM 191 O THR A 32 10.504 -5.328 9.501 1.00 0.00 O ATOM 192 CB THR A 32 11.088 -2.678 8.812 1.00 0.00 C ATOM 193 OG1 THR A 32 9.685 -2.386 8.779 1.00 0.00 O ATOM 194 CG2 THR A 32 11.878 -1.432 8.440 1.00 0.00 C ATOM 0 H THR A 32 10.222 -2.921 6.383 1.00 0.00 H new ATOM 0 HA THR A 32 12.481 -4.021 7.872 1.00 0.00 H new ATOM 0 HB THR A 32 11.373 -2.983 9.819 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.490 -1.649 9.395 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.636 -0.627 9.134 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.945 -1.648 8.493 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.620 -1.127 7.426 1.00 0.00 H new ATOM 202 N GLY A 33 10.196 -5.871 7.335 1.00 0.00 N ATOM 203 CA GLY A 33 9.453 -7.066 7.653 1.00 0.00 C ATOM 204 C GLY A 33 8.110 -6.697 8.220 1.00 0.00 C ATOM 205 O GLY A 33 7.610 -7.345 9.139 1.00 0.00 O ATOM 0 H GLY A 33 10.325 -5.698 6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.325 -7.674 6.758 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.008 -7.669 8.372 1.00 0.00 H new ATOM 209 N LYS A 34 7.523 -5.643 7.661 1.00 0.00 N ATOM 210 CA LYS A 34 6.246 -5.155 8.137 1.00 0.00 C ATOM 211 C LYS A 34 5.136 -5.416 7.131 1.00 0.00 C ATOM 212 O LYS A 34 4.842 -4.580 6.281 1.00 0.00 O ATOM 213 CB LYS A 34 6.361 -3.665 8.467 1.00 0.00 C ATOM 214 CG LYS A 34 5.968 -3.322 9.894 1.00 0.00 C ATOM 215 CD LYS A 34 4.499 -2.945 10.001 1.00 0.00 C ATOM 216 CE LYS A 34 3.588 -4.096 9.605 1.00 0.00 C ATOM 217 NZ LYS A 34 2.693 -4.504 10.724 1.00 0.00 N ATOM 0 H LYS A 34 7.915 -5.116 6.881 1.00 0.00 H new ATOM 0 HA LYS A 34 5.980 -5.699 9.043 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.388 -3.342 8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.730 -3.100 7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.172 -4.174 10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.582 -2.495 10.251 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.276 -2.641 11.024 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.297 -2.086 9.361 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.985 -3.803 8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.193 -4.948 9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.211 -5.392 10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.257 -4.645 11.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.985 -3.761 10.891 1.00 0.00 H new ATOM 231 N ASP A 35 4.530 -6.592 7.243 1.00 0.00 N ATOM 232 CA ASP A 35 3.438 -6.986 6.365 1.00 0.00 C ATOM 233 C ASP A 35 2.104 -6.804 7.073 1.00 0.00 C ATOM 234 O ASP A 35 1.689 -7.644 7.871 1.00 0.00 O ATOM 235 CB ASP A 35 3.607 -8.442 5.928 1.00 0.00 C ATOM 236 CG ASP A 35 3.727 -9.389 7.105 1.00 0.00 C ATOM 237 OD1 ASP A 35 4.866 -9.626 7.562 1.00 0.00 O ATOM 238 OD2 ASP A 35 2.685 -9.897 7.569 1.00 0.00 O ATOM 0 H ASP A 35 4.780 -7.294 7.940 1.00 0.00 H new ATOM 0 HA ASP A 35 3.456 -6.351 5.479 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.755 -8.735 5.315 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.495 -8.530 5.303 1.00 0.00 H new ATOM 243 N LEU A 36 1.440 -5.696 6.777 1.00 0.00 N ATOM 244 CA LEU A 36 0.159 -5.387 7.384 1.00 0.00 C ATOM 245 C LEU A 36 -0.853 -5.033 6.310 1.00 0.00 C ATOM 246 O LEU A 36 -0.634 -4.126 5.507 1.00 0.00 O ATOM 247 CB LEU A 36 0.297 -4.232 8.375 1.00 0.00 C ATOM 248 CG LEU A 36 -0.985 -3.871 9.128 1.00 0.00 C ATOM 249 CD1 LEU A 36 -1.515 -5.078 9.886 1.00 0.00 C ATOM 250 CD2 LEU A 36 -0.736 -2.710 10.079 1.00 0.00 C ATOM 0 H LEU A 36 1.772 -4.994 6.116 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.188 -6.267 7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.068 -4.487 9.102 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.645 -3.350 7.837 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.737 -3.564 8.401 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.427 -4.803 10.416 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.732 -5.882 9.183 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.766 -5.415 10.603 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.659 -2.467 10.606 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.031 -2.989 10.801 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.402 -1.841 9.512 1.00 0.00 H new ATOM 262 N LYS A 37 -1.955 -5.759 6.297 1.00 0.00 N ATOM 263 CA LYS A 37 -3.001 -5.528 5.321 1.00 0.00 C ATOM 264 C LYS A 37 -3.908 -4.387 5.768 1.00 0.00 C ATOM 265 O LYS A 37 -4.766 -4.555 6.635 1.00 0.00 O ATOM 266 CB LYS A 37 -3.781 -6.823 5.097 1.00 0.00 C ATOM 267 CG LYS A 37 -5.197 -6.631 4.578 1.00 0.00 C ATOM 268 CD LYS A 37 -5.883 -7.966 4.343 1.00 0.00 C ATOM 269 CE LYS A 37 -6.012 -8.762 5.631 1.00 0.00 C ATOM 270 NZ LYS A 37 -6.806 -8.033 6.659 1.00 0.00 N ATOM 0 H LYS A 37 -2.148 -6.515 6.953 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.557 -5.229 4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.231 -7.445 4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.825 -7.372 6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.773 -6.045 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.172 -6.063 3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.872 -7.798 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.316 -8.544 3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.486 -9.720 5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.019 -8.978 6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.474 -8.689 7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.166 -7.640 7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.334 -7.260 6.206 1.00 0.00 H new ATOM 284 N LEU A 38 -3.700 -3.227 5.157 1.00 0.00 N ATOM 285 CA LEU A 38 -4.473 -2.036 5.476 1.00 0.00 C ATOM 286 C LEU A 38 -5.826 -2.057 4.769 1.00 0.00 C ATOM 287 O LEU A 38 -5.925 -2.454 3.605 1.00 0.00 O ATOM 288 CB LEU A 38 -3.678 -0.781 5.079 1.00 0.00 C ATOM 289 CG LEU A 38 -4.514 0.458 4.750 1.00 0.00 C ATOM 290 CD1 LEU A 38 -5.168 1.010 6.007 1.00 0.00 C ATOM 291 CD2 LEU A 38 -3.648 1.514 4.088 1.00 0.00 C ATOM 0 H LEU A 38 -2.996 -3.087 4.432 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.658 -2.018 6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.998 -0.532 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.063 -1.022 4.212 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.303 0.172 4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.758 1.891 5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.818 0.251 6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.398 1.285 6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.254 2.390 3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.840 1.798 4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.226 1.113 3.166 1.00 0.00 H new ATOM 303 N VAL A 39 -6.863 -1.634 5.485 1.00 0.00 N ATOM 304 CA VAL A 39 -8.207 -1.586 4.927 1.00 0.00 C ATOM 305 C VAL A 39 -8.312 -0.483 3.881 1.00 0.00 C ATOM 306 O VAL A 39 -7.713 0.583 4.027 1.00 0.00 O ATOM 307 CB VAL A 39 -9.268 -1.352 6.022 1.00 0.00 C ATOM 308 CG1 VAL A 39 -9.023 -0.030 6.736 1.00 0.00 C ATOM 309 CG2 VAL A 39 -10.668 -1.392 5.428 1.00 0.00 C ATOM 0 H VAL A 39 -6.797 -1.320 6.453 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.398 -2.553 4.461 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.185 -2.154 6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.783 0.115 7.504 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.037 -0.044 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.074 0.787 6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.402 -1.225 6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.764 -0.614 4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.842 -2.366 4.971 1.00 0.00 H new ATOM 319 N VAL A 40 -9.076 -0.744 2.829 1.00 0.00 N ATOM 320 CA VAL A 40 -9.250 0.222 1.753 1.00 0.00 C ATOM 321 C VAL A 40 -10.611 0.055 1.087 1.00 0.00 C ATOM 322 O VAL A 40 -11.305 -0.936 1.313 1.00 0.00 O ATOM 323 CB VAL A 40 -8.140 0.071 0.700 1.00 0.00 C ATOM 324 CG1 VAL A 40 -6.818 0.591 1.240 1.00 0.00 C ATOM 325 CG2 VAL A 40 -8.009 -1.382 0.273 1.00 0.00 C ATOM 0 H VAL A 40 -9.586 -1.618 2.698 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.191 1.218 2.191 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.409 0.664 -0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.044 0.476 0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.920 1.645 1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.541 0.025 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.219 -1.472 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.762 -1.995 1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.952 -1.722 -0.155 1.00 0.00 H new ATOM 335 N ARG A 41 -10.987 1.026 0.260 1.00 0.00 N ATOM 336 CA ARG A 41 -12.268 0.982 -0.431 1.00 0.00 C ATOM 337 C ARG A 41 -12.238 1.802 -1.719 1.00 0.00 C ATOM 338 O ARG A 41 -12.430 3.011 -1.686 1.00 0.00 O ATOM 339 CB ARG A 41 -13.365 1.505 0.496 1.00 0.00 C ATOM 340 CG ARG A 41 -14.775 1.341 -0.053 1.00 0.00 C ATOM 341 CD ARG A 41 -15.130 2.445 -1.036 1.00 0.00 C ATOM 342 NE ARG A 41 -16.559 2.463 -1.343 1.00 0.00 N ATOM 343 CZ ARG A 41 -17.188 3.506 -1.878 1.00 0.00 C ATOM 344 NH1 ARG A 41 -16.521 4.616 -2.165 1.00 0.00 N ATOM 345 NH2 ARG A 41 -18.489 3.438 -2.126 1.00 0.00 N ATOM 0 H ARG A 41 -10.423 1.850 0.053 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.475 -0.053 -0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.296 0.985 1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.185 2.562 0.694 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.863 0.373 -0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.489 1.345 0.771 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.836 3.409 -0.621 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.563 2.308 -1.957 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.106 1.627 -1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.520 4.673 -1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.009 5.412 -2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -19.006 2.587 -1.907 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.972 4.237 -2.536 1.00 0.00 H new ATOM 359 N SER A 42 -11.981 1.121 -2.839 1.00 0.00 N ATOM 360 CA SER A 42 -11.932 1.714 -4.188 1.00 0.00 C ATOM 361 C SER A 42 -11.383 3.147 -4.242 1.00 0.00 C ATOM 362 O SER A 42 -10.519 3.444 -5.066 1.00 0.00 O ATOM 363 CB SER A 42 -13.330 1.692 -4.806 1.00 0.00 C ATOM 364 OG SER A 42 -13.361 2.414 -6.024 1.00 0.00 O ATOM 0 H SER A 42 -11.796 0.118 -2.838 1.00 0.00 H new ATOM 0 HA SER A 42 -11.231 1.100 -4.753 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.636 0.661 -4.983 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.047 2.122 -4.107 1.00 0.00 H new ATOM 0 HG SER A 42 -13.179 1.805 -6.770 1.00 0.00 H new ATOM 370 N THR A 43 -11.869 4.031 -3.379 1.00 0.00 N ATOM 371 CA THR A 43 -11.386 5.402 -3.350 1.00 0.00 C ATOM 372 C THR A 43 -10.032 5.480 -2.656 1.00 0.00 C ATOM 373 O THR A 43 -9.325 6.482 -2.764 1.00 0.00 O ATOM 374 CB THR A 43 -12.377 6.342 -2.636 1.00 0.00 C ATOM 375 OG1 THR A 43 -11.869 7.683 -2.640 1.00 0.00 O ATOM 376 CG2 THR A 43 -12.618 5.893 -1.202 1.00 0.00 C ATOM 0 H THR A 43 -12.595 3.822 -2.693 1.00 0.00 H new ATOM 0 HA THR A 43 -11.286 5.727 -4.386 1.00 0.00 H new ATOM 0 HB THR A 43 -13.324 6.308 -3.174 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.901 7.666 -2.793 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.321 6.573 -0.721 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.031 4.884 -1.201 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.675 5.899 -0.655 1.00 0.00 H new ATOM 384 N ASP A 44 -9.676 4.415 -1.941 1.00 0.00 N ATOM 385 CA ASP A 44 -8.408 4.363 -1.235 1.00 0.00 C ATOM 386 C ASP A 44 -7.256 4.114 -2.204 1.00 0.00 C ATOM 387 O ASP A 44 -6.526 5.037 -2.559 1.00 0.00 O ATOM 388 CB ASP A 44 -8.442 3.276 -0.163 1.00 0.00 C ATOM 389 CG ASP A 44 -9.180 3.719 1.085 1.00 0.00 C ATOM 390 OD1 ASP A 44 -8.530 4.279 1.992 1.00 0.00 O ATOM 391 OD2 ASP A 44 -10.409 3.505 1.155 1.00 0.00 O ATOM 0 H ASP A 44 -10.251 3.579 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.247 5.327 -0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.921 2.385 -0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.422 2.998 0.101 1.00 0.00 H new ATOM 396 N THR A 45 -7.098 2.861 -2.628 1.00 0.00 N ATOM 397 CA THR A 45 -6.034 2.496 -3.561 1.00 0.00 C ATOM 398 C THR A 45 -4.659 2.832 -2.988 1.00 0.00 C ATOM 399 O THR A 45 -4.544 3.685 -2.115 1.00 0.00 O ATOM 400 CB THR A 45 -6.206 3.216 -4.913 1.00 0.00 C ATOM 401 OG1 THR A 45 -5.788 4.581 -4.802 1.00 0.00 O ATOM 402 CG2 THR A 45 -7.657 3.166 -5.368 1.00 0.00 C ATOM 0 H THR A 45 -7.692 2.083 -2.341 1.00 0.00 H new ATOM 0 HA THR A 45 -6.104 1.420 -3.718 1.00 0.00 H new ATOM 0 HB THR A 45 -5.587 2.706 -5.651 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.787 4.847 -3.859 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.756 3.680 -6.324 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.968 2.127 -5.480 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.288 3.655 -4.626 1.00 0.00 H new ATOM 410 N VAL A 46 -3.633 2.149 -3.484 1.00 0.00 N ATOM 411 CA VAL A 46 -2.242 2.337 -3.044 1.00 0.00 C ATOM 412 C VAL A 46 -1.961 3.746 -2.499 1.00 0.00 C ATOM 413 O VAL A 46 -1.157 3.904 -1.584 1.00 0.00 O ATOM 414 CB VAL A 46 -1.250 1.998 -4.185 1.00 0.00 C ATOM 415 CG1 VAL A 46 0.045 2.788 -4.052 1.00 0.00 C ATOM 416 CG2 VAL A 46 -0.957 0.498 -4.199 1.00 0.00 C ATOM 0 H VAL A 46 -3.737 1.441 -4.210 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.093 1.644 -2.216 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.716 2.281 -5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.717 2.525 -4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.174 3.855 -4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.520 2.550 -3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.259 0.271 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.518 0.204 -3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.884 -0.052 -4.357 1.00 0.00 H new ATOM 426 N PHE A 47 -2.610 4.762 -3.061 1.00 0.00 N ATOM 427 CA PHE A 47 -2.424 6.136 -2.596 1.00 0.00 C ATOM 428 C PHE A 47 -2.887 6.250 -1.161 1.00 0.00 C ATOM 429 O PHE A 47 -2.078 6.427 -0.252 1.00 0.00 O ATOM 430 CB PHE A 47 -3.196 7.114 -3.477 1.00 0.00 C ATOM 431 CG PHE A 47 -3.041 8.550 -3.065 1.00 0.00 C ATOM 432 CD1 PHE A 47 -3.887 9.107 -2.120 1.00 0.00 C ATOM 433 CD2 PHE A 47 -2.049 9.341 -3.621 1.00 0.00 C ATOM 434 CE1 PHE A 47 -3.748 10.428 -1.737 1.00 0.00 C ATOM 435 CE2 PHE A 47 -1.904 10.662 -3.242 1.00 0.00 C ATOM 436 CZ PHE A 47 -2.755 11.206 -2.300 1.00 0.00 C ATOM 0 H PHE A 47 -3.266 4.662 -3.835 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.365 6.388 -2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.861 7.003 -4.508 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.254 6.851 -3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.664 8.502 -1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.382 8.921 -4.359 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.414 10.851 -0.999 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.126 11.268 -3.682 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.644 12.239 -2.004 1.00 0.00 H new ATOM 446 N HIS A 48 -4.194 6.159 -0.952 1.00 0.00 N ATOM 447 CA HIS A 48 -4.725 6.200 0.396 1.00 0.00 C ATOM 448 C HIS A 48 -4.112 5.047 1.163 1.00 0.00 C ATOM 449 O HIS A 48 -3.751 5.174 2.332 1.00 0.00 O ATOM 450 CB HIS A 48 -6.234 6.085 0.391 1.00 0.00 C ATOM 451 CG HIS A 48 -6.917 7.253 -0.252 1.00 0.00 C ATOM 452 ND1 HIS A 48 -7.082 7.376 -1.616 1.00 0.00 N ATOM 453 CD2 HIS A 48 -7.478 8.360 0.292 1.00 0.00 C ATOM 454 CE1 HIS A 48 -7.713 8.506 -1.882 1.00 0.00 C ATOM 455 NE2 HIS A 48 -7.964 9.120 -0.742 1.00 0.00 N ATOM 0 H HIS A 48 -4.893 6.058 -1.688 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.477 7.152 0.865 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.520 5.173 -0.133 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.587 5.987 1.418 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -6.766 6.700 -2.311 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.532 8.600 1.344 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.978 8.866 -2.865 1.00 0.00 H new ATOM 464 N MET A 49 -4.012 3.905 0.483 1.00 0.00 N ATOM 465 CA MET A 49 -3.369 2.739 1.058 1.00 0.00 C ATOM 466 C MET A 49 -2.044 3.191 1.654 1.00 0.00 C ATOM 467 O MET A 49 -1.651 2.788 2.748 1.00 0.00 O ATOM 468 CB MET A 49 -3.113 1.680 -0.014 1.00 0.00 C ATOM 469 CG MET A 49 -3.021 0.267 0.534 1.00 0.00 C ATOM 470 SD MET A 49 -2.594 -0.939 -0.735 1.00 0.00 S ATOM 471 CE MET A 49 -3.994 -0.782 -1.840 1.00 0.00 C ATOM 0 H MET A 49 -4.369 3.769 -0.463 1.00 0.00 H new ATOM 0 HA MET A 49 -4.011 2.298 1.820 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.913 1.722 -0.753 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.186 1.919 -0.535 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.273 0.236 1.326 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.975 -0.007 0.985 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.558 -1.715 -1.847 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.638 0.029 -1.499 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.640 -0.565 -2.848 1.00 0.00 H new ATOM 481 N LYS A 50 -1.379 4.060 0.894 1.00 0.00 N ATOM 482 CA LYS A 50 -0.110 4.647 1.291 1.00 0.00 C ATOM 483 C LYS A 50 -0.353 5.693 2.372 1.00 0.00 C ATOM 484 O LYS A 50 0.464 5.875 3.275 1.00 0.00 O ATOM 485 CB LYS A 50 0.583 5.265 0.067 1.00 0.00 C ATOM 486 CG LYS A 50 1.459 6.473 0.371 1.00 0.00 C ATOM 487 CD LYS A 50 0.658 7.766 0.305 1.00 0.00 C ATOM 488 CE LYS A 50 1.551 8.988 0.443 1.00 0.00 C ATOM 489 NZ LYS A 50 2.528 9.095 -0.676 1.00 0.00 N ATOM 0 H LYS A 50 -1.711 4.375 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 50 0.545 3.876 1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.196 4.500 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.179 5.559 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.900 6.366 1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.283 6.516 -0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.120 7.813 -0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.091 7.771 1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.934 9.886 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.088 8.939 1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.193 9.871 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.054 8.202 -0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.020 9.287 -1.563 1.00 0.00 H new ATOM 503 N ARG A 51 -1.490 6.380 2.270 1.00 0.00 N ATOM 504 CA ARG A 51 -1.857 7.391 3.247 1.00 0.00 C ATOM 505 C ARG A 51 -1.817 6.779 4.645 1.00 0.00 C ATOM 506 O ARG A 51 -1.141 7.272 5.554 1.00 0.00 O ATOM 507 CB ARG A 51 -3.254 7.945 2.956 1.00 0.00 C ATOM 508 CG ARG A 51 -3.641 9.127 3.832 1.00 0.00 C ATOM 509 CD ARG A 51 -3.032 10.425 3.323 1.00 0.00 C ATOM 510 NE ARG A 51 -1.580 10.454 3.480 1.00 0.00 N ATOM 511 CZ ARG A 51 -0.773 11.238 2.767 1.00 0.00 C ATOM 512 NH1 ARG A 51 -1.271 12.064 1.855 1.00 0.00 N ATOM 513 NH2 ARG A 51 0.538 11.200 2.969 1.00 0.00 N ATOM 0 H ARG A 51 -2.169 6.251 1.520 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.146 8.215 3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.304 8.248 1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.986 7.149 3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.727 9.220 3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.311 8.946 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.284 10.554 2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.470 11.265 3.861 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.160 9.838 4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.278 12.101 1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.647 12.661 1.313 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.928 10.570 3.670 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.156 11.800 2.423 1.00 0.00 H new ATOM 527 N ARG A 52 -2.536 5.679 4.797 1.00 0.00 N ATOM 528 CA ARG A 52 -2.582 4.969 6.060 1.00 0.00 C ATOM 529 C ARG A 52 -1.326 4.120 6.223 1.00 0.00 C ATOM 530 O ARG A 52 -1.018 3.657 7.317 1.00 0.00 O ATOM 531 CB ARG A 52 -3.840 4.105 6.153 1.00 0.00 C ATOM 532 CG ARG A 52 -5.087 4.894 6.513 1.00 0.00 C ATOM 533 CD ARG A 52 -6.307 3.993 6.624 1.00 0.00 C ATOM 534 NE ARG A 52 -7.483 4.720 7.093 1.00 0.00 N ATOM 535 CZ ARG A 52 -8.564 4.132 7.602 1.00 0.00 C ATOM 536 NH1 ARG A 52 -8.620 2.810 7.711 1.00 0.00 N ATOM 537 NH2 ARG A 52 -9.591 4.867 8.003 1.00 0.00 N ATOM 0 H ARG A 52 -3.097 5.259 4.056 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.620 5.697 6.870 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.999 3.604 5.198 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.683 3.327 6.900 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.930 5.413 7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.266 5.658 5.756 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.519 3.549 5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.091 3.173 7.309 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.476 5.738 7.027 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.832 2.239 7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.451 2.365 8.102 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.554 5.883 7.922 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.419 4.417 8.393 1.00 0.00 H new ATOM 551 N LEU A 53 -0.610 3.901 5.118 1.00 0.00 N ATOM 552 CA LEU A 53 0.634 3.145 5.162 1.00 0.00 C ATOM 553 C LEU A 53 1.618 3.869 6.067 1.00 0.00 C ATOM 554 O LEU A 53 2.412 3.247 6.771 1.00 0.00 O ATOM 555 CB LEU A 53 1.217 2.982 3.757 1.00 0.00 C ATOM 556 CG LEU A 53 2.415 2.040 3.647 1.00 0.00 C ATOM 557 CD1 LEU A 53 2.117 0.714 4.329 1.00 0.00 C ATOM 558 CD2 LEU A 53 2.781 1.821 2.186 1.00 0.00 C ATOM 0 H LEU A 53 -0.871 4.235 4.190 1.00 0.00 H new ATOM 0 HA LEU A 53 0.439 2.148 5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.430 2.619 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.514 3.964 3.390 1.00 0.00 H new ATOM 0 HG LEU A 53 3.265 2.499 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.982 0.057 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.900 0.888 5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.255 0.246 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.636 1.148 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.933 1.382 1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.036 2.776 1.728 1.00 0.00 H new ATOM 570 N HIS A 54 1.555 5.197 6.038 1.00 0.00 N ATOM 571 CA HIS A 54 2.406 6.022 6.875 1.00 0.00 C ATOM 572 C HIS A 54 1.777 6.171 8.255 1.00 0.00 C ATOM 573 O HIS A 54 2.460 6.083 9.276 1.00 0.00 O ATOM 574 CB HIS A 54 2.622 7.395 6.224 1.00 0.00 C ATOM 575 CG HIS A 54 1.594 8.433 6.577 1.00 0.00 C ATOM 576 ND1 HIS A 54 1.409 8.909 7.859 1.00 0.00 N ATOM 577 CD2 HIS A 54 0.706 9.099 5.800 1.00 0.00 C ATOM 578 CE1 HIS A 54 0.451 9.819 7.855 1.00 0.00 C ATOM 579 NE2 HIS A 54 0.009 9.953 6.619 1.00 0.00 N ATOM 0 H HIS A 54 0.918 5.723 5.439 1.00 0.00 H new ATOM 0 HA HIS A 54 3.379 5.542 6.983 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.605 7.766 6.512 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.633 7.270 5.141 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.571 8.980 4.735 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.091 10.361 8.717 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.731 10.588 6.320 1.00 0.00 H new ATOM 588 N ALA A 55 0.466 6.399 8.271 1.00 0.00 N ATOM 589 CA ALA A 55 -0.265 6.560 9.523 1.00 0.00 C ATOM 590 C ALA A 55 -0.103 5.344 10.436 1.00 0.00 C ATOM 591 O ALA A 55 0.165 5.487 11.628 1.00 0.00 O ATOM 592 CB ALA A 55 -1.739 6.812 9.240 1.00 0.00 C ATOM 0 H ALA A 55 -0.110 6.476 7.433 1.00 0.00 H new ATOM 0 HA ALA A 55 0.155 7.421 10.043 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.275 6.931 10.182 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.845 7.719 8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.154 5.967 8.690 1.00 0.00 H new ATOM 598 N ALA A 56 -0.269 4.147 9.873 1.00 0.00 N ATOM 599 CA ALA A 56 -0.154 2.917 10.649 1.00 0.00 C ATOM 600 C ALA A 56 1.298 2.475 10.817 1.00 0.00 C ATOM 601 O ALA A 56 1.708 2.073 11.906 1.00 0.00 O ATOM 602 CB ALA A 56 -0.967 1.810 9.995 1.00 0.00 C ATOM 0 H ALA A 56 -0.483 4.005 8.886 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.549 3.120 11.645 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.875 0.896 10.581 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.015 2.107 9.948 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.595 1.633 8.986 1.00 0.00 H new ATOM 608 N GLU A 57 2.076 2.547 9.740 1.00 0.00 N ATOM 609 CA GLU A 57 3.476 2.133 9.787 1.00 0.00 C ATOM 610 C GLU A 57 4.388 3.294 10.168 1.00 0.00 C ATOM 611 O GLU A 57 5.083 3.241 11.184 1.00 0.00 O ATOM 612 CB GLU A 57 3.911 1.557 8.437 1.00 0.00 C ATOM 613 CG GLU A 57 2.863 0.669 7.785 1.00 0.00 C ATOM 614 CD GLU A 57 2.483 -0.519 8.648 1.00 0.00 C ATOM 615 OE1 GLU A 57 2.142 -0.308 9.830 1.00 0.00 O ATOM 616 OE2 GLU A 57 2.528 -1.659 8.140 1.00 0.00 O ATOM 0 H GLU A 57 1.764 2.886 8.830 1.00 0.00 H new ATOM 0 HA GLU A 57 3.564 1.362 10.553 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.150 2.378 7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.827 0.982 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.972 1.260 7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.241 0.311 6.827 1.00 0.00 H new ATOM 623 N GLY A 58 4.385 4.342 9.351 1.00 0.00 N ATOM 624 CA GLY A 58 5.224 5.496 9.625 1.00 0.00 C ATOM 625 C GLY A 58 5.931 6.029 8.388 1.00 0.00 C ATOM 626 O GLY A 58 6.675 7.005 8.469 1.00 0.00 O ATOM 0 H GLY A 58 3.818 4.414 8.506 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.612 6.288 10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.969 5.226 10.374 1.00 0.00 H new ATOM 630 N VAL A 59 5.701 5.391 7.243 1.00 0.00 N ATOM 631 CA VAL A 59 6.318 5.816 5.995 1.00 0.00 C ATOM 632 C VAL A 59 5.450 6.850 5.284 1.00 0.00 C ATOM 633 O VAL A 59 4.613 6.505 4.455 1.00 0.00 O ATOM 634 CB VAL A 59 6.528 4.616 5.051 1.00 0.00 C ATOM 635 CG1 VAL A 59 7.410 5.005 3.879 1.00 0.00 C ATOM 636 CG2 VAL A 59 7.125 3.436 5.805 1.00 0.00 C ATOM 0 H VAL A 59 5.091 4.578 7.156 1.00 0.00 H new ATOM 0 HA VAL A 59 7.283 6.258 6.244 1.00 0.00 H new ATOM 0 HB VAL A 59 5.556 4.314 4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.546 4.144 3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.938 5.814 3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.380 5.337 4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.265 2.600 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.088 3.724 6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.450 3.138 6.608 1.00 0.00 H new ATOM 682 N SER A 63 9.690 7.796 1.474 1.00 0.00 N ATOM 683 CA SER A 63 10.014 6.422 1.839 1.00 0.00 C ATOM 684 C SER A 63 8.940 5.441 1.362 1.00 0.00 C ATOM 685 O SER A 63 9.128 4.230 1.439 1.00 0.00 O ATOM 686 CB SER A 63 10.184 6.318 3.353 1.00 0.00 C ATOM 687 OG SER A 63 11.213 7.178 3.812 1.00 0.00 O ATOM 0 HA SER A 63 10.948 6.154 1.345 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.246 6.573 3.846 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.417 5.289 3.626 1.00 0.00 H new ATOM 0 HG SER A 63 11.242 7.982 3.252 1.00 0.00 H new ATOM 693 N GLN A 64 7.816 5.962 0.871 1.00 0.00 N ATOM 694 CA GLN A 64 6.727 5.112 0.394 1.00 0.00 C ATOM 695 C GLN A 64 6.962 4.638 -1.038 1.00 0.00 C ATOM 696 O GLN A 64 6.487 5.258 -1.989 1.00 0.00 O ATOM 697 CB GLN A 64 5.398 5.864 0.457 1.00 0.00 C ATOM 698 CG GLN A 64 4.941 6.190 1.870 1.00 0.00 C ATOM 699 CD GLN A 64 4.110 7.460 1.947 1.00 0.00 C ATOM 700 OE1 GLN A 64 3.168 7.548 2.735 1.00 0.00 O ATOM 701 NE2 GLN A 64 4.468 8.462 1.149 1.00 0.00 N ATOM 0 H GLN A 64 7.637 6.963 0.793 1.00 0.00 H new ATOM 0 HA GLN A 64 6.693 4.239 1.046 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.490 6.792 -0.108 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.630 5.266 -0.034 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.357 5.356 2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.815 6.294 2.514 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.255 8.349 0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.956 9.344 1.176 1.00 0.00 H new ATOM 710 N ARG A 65 7.693 3.539 -1.190 1.00 0.00 N ATOM 711 CA ARG A 65 7.957 2.980 -2.511 1.00 0.00 C ATOM 712 C ARG A 65 7.098 1.739 -2.735 1.00 0.00 C ATOM 713 O ARG A 65 7.450 0.645 -2.298 1.00 0.00 O ATOM 714 CB ARG A 65 9.438 2.634 -2.662 1.00 0.00 C ATOM 715 CG ARG A 65 10.345 3.853 -2.697 1.00 0.00 C ATOM 716 CD ARG A 65 11.777 3.474 -3.033 1.00 0.00 C ATOM 717 NE ARG A 65 12.642 4.647 -3.147 1.00 0.00 N ATOM 718 CZ ARG A 65 13.806 4.652 -3.793 1.00 0.00 C ATOM 719 NH1 ARG A 65 14.251 3.549 -4.383 1.00 0.00 N ATOM 720 NH2 ARG A 65 14.527 5.763 -3.851 1.00 0.00 N ATOM 0 H ARG A 65 8.112 3.019 -0.419 1.00 0.00 H new ATOM 0 HA ARG A 65 7.701 3.727 -3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.739 1.991 -1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.577 2.061 -3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.973 4.563 -3.436 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.318 4.355 -1.730 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.167 2.810 -2.262 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.794 2.918 -3.971 1.00 0.00 H new ATOM 0 HE ARG A 65 12.335 5.514 -2.705 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.700 2.691 -4.343 1.00 0.00 H new ATOM 0 HH12 ARG A 65 15.144 3.559 -4.876 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.190 6.614 -3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.419 5.767 -4.346 1.00 0.00 H new ATOM 734 N TRP A 66 5.970 1.921 -3.421 1.00 0.00 N ATOM 735 CA TRP A 66 5.036 0.823 -3.687 1.00 0.00 C ATOM 736 C TRP A 66 5.433 0.046 -4.940 1.00 0.00 C ATOM 737 O TRP A 66 5.733 0.634 -5.980 1.00 0.00 O ATOM 738 CB TRP A 66 3.610 1.362 -3.850 1.00 0.00 C ATOM 739 CG TRP A 66 3.392 2.696 -3.202 1.00 0.00 C ATOM 740 CD1 TRP A 66 3.294 2.954 -1.866 1.00 0.00 C ATOM 741 CD2 TRP A 66 3.249 3.957 -3.867 1.00 0.00 C ATOM 742 NE1 TRP A 66 3.103 4.299 -1.659 1.00 0.00 N ATOM 743 CE2 TRP A 66 3.070 4.935 -2.872 1.00 0.00 C ATOM 744 CE3 TRP A 66 3.257 4.353 -5.208 1.00 0.00 C ATOM 745 CZ2 TRP A 66 2.900 6.283 -3.175 1.00 0.00 C ATOM 746 CZ3 TRP A 66 3.088 5.691 -5.508 1.00 0.00 C ATOM 747 CH2 TRP A 66 2.912 6.642 -4.496 1.00 0.00 C ATOM 0 H TRP A 66 5.679 2.820 -3.804 1.00 0.00 H new ATOM 0 HA TRP A 66 5.074 0.146 -2.834 1.00 0.00 H new ATOM 0 HB2 TRP A 66 3.381 1.442 -4.913 1.00 0.00 H new ATOM 0 HB3 TRP A 66 2.909 0.643 -3.426 1.00 0.00 H new ATOM 0 HD1 TRP A 66 3.357 2.210 -1.085 1.00 0.00 H new ATOM 0 HE1 TRP A 66 3.002 4.750 -0.750 1.00 0.00 H new ATOM 0 HE3 TRP A 66 3.393 3.626 -5.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 2.764 7.019 -2.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.092 6.008 -6.540 1.00 0.00 H new ATOM 0 HH2 TRP A 66 2.783 7.681 -4.763 1.00 0.00 H new ATOM 758 N PHE A 67 5.409 -1.279 -4.839 1.00 0.00 N ATOM 759 CA PHE A 67 5.768 -2.140 -5.961 1.00 0.00 C ATOM 760 C PHE A 67 5.073 -3.494 -5.869 1.00 0.00 C ATOM 761 O PHE A 67 5.185 -4.195 -4.865 1.00 0.00 O ATOM 762 CB PHE A 67 7.281 -2.352 -6.007 1.00 0.00 C ATOM 763 CG PHE A 67 8.044 -1.159 -6.511 1.00 0.00 C ATOM 764 CD1 PHE A 67 8.348 -0.104 -5.667 1.00 0.00 C ATOM 765 CD2 PHE A 67 8.457 -1.097 -7.833 1.00 0.00 C ATOM 766 CE1 PHE A 67 9.050 0.993 -6.133 1.00 0.00 C ATOM 767 CE2 PHE A 67 9.160 -0.005 -8.303 1.00 0.00 C ATOM 768 CZ PHE A 67 9.456 1.041 -7.453 1.00 0.00 C ATOM 0 H PHE A 67 5.145 -1.781 -3.991 1.00 0.00 H new ATOM 0 HA PHE A 67 5.439 -1.642 -6.873 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.634 -2.602 -5.007 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.500 -3.208 -6.645 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.034 -0.138 -4.634 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.226 -1.912 -8.503 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.280 1.811 -5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.478 0.030 -9.335 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.004 1.896 -7.819 1.00 0.00 H new ATOM 778 N PHE A 68 4.365 -3.858 -6.930 1.00 0.00 N ATOM 779 CA PHE A 68 3.659 -5.133 -6.987 1.00 0.00 C ATOM 780 C PHE A 68 4.080 -5.911 -8.225 1.00 0.00 C ATOM 781 O PHE A 68 4.110 -5.366 -9.329 1.00 0.00 O ATOM 782 CB PHE A 68 2.151 -4.906 -7.007 1.00 0.00 C ATOM 783 CG PHE A 68 1.350 -6.176 -6.955 1.00 0.00 C ATOM 784 CD1 PHE A 68 1.170 -6.848 -5.758 1.00 0.00 C ATOM 785 CD2 PHE A 68 0.777 -6.695 -8.105 1.00 0.00 C ATOM 786 CE1 PHE A 68 0.434 -8.017 -5.707 1.00 0.00 C ATOM 787 CE2 PHE A 68 0.039 -7.864 -8.060 1.00 0.00 C ATOM 788 CZ PHE A 68 -0.133 -8.525 -6.860 1.00 0.00 C ATOM 0 H PHE A 68 4.264 -3.285 -7.768 1.00 0.00 H new ATOM 0 HA PHE A 68 3.916 -5.710 -6.099 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.875 -4.278 -6.160 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.887 -4.357 -7.911 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.610 -6.454 -4.854 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.908 -6.181 -9.046 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.302 -8.533 -4.767 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.402 -8.259 -8.963 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.710 -9.437 -6.823 1.00 0.00 H new ATOM 798 N SER A 69 4.409 -7.184 -8.037 1.00 0.00 N ATOM 799 CA SER A 69 4.846 -8.033 -9.142 1.00 0.00 C ATOM 800 C SER A 69 6.192 -7.560 -9.694 1.00 0.00 C ATOM 801 O SER A 69 6.671 -8.075 -10.705 1.00 0.00 O ATOM 802 CB SER A 69 3.798 -8.048 -10.259 1.00 0.00 C ATOM 803 OG SER A 69 4.181 -8.923 -11.305 1.00 0.00 O ATOM 0 H SER A 69 4.382 -7.652 -7.131 1.00 0.00 H new ATOM 0 HA SER A 69 4.965 -9.046 -8.758 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.835 -8.359 -9.854 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.667 -7.040 -10.653 1.00 0.00 H new ATOM 0 HG SER A 69 5.157 -8.919 -11.394 1.00 0.00 H new ATOM 809 N GLY A 70 6.798 -6.578 -9.027 1.00 0.00 N ATOM 810 CA GLY A 70 8.081 -6.061 -9.464 1.00 0.00 C ATOM 811 C GLY A 70 7.977 -4.710 -10.147 1.00 0.00 C ATOM 812 O GLY A 70 8.988 -4.138 -10.556 1.00 0.00 O ATOM 0 H GLY A 70 6.420 -6.132 -8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.744 -5.976 -8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.539 -6.774 -10.150 1.00 0.00 H new ATOM 816 N ARG A 71 6.758 -4.196 -10.274 1.00 0.00 N ATOM 817 CA ARG A 71 6.538 -2.901 -10.906 1.00 0.00 C ATOM 818 C ARG A 71 5.977 -1.904 -9.896 1.00 0.00 C ATOM 819 O ARG A 71 5.272 -2.288 -8.964 1.00 0.00 O ATOM 820 CB ARG A 71 5.581 -3.037 -12.092 1.00 0.00 C ATOM 821 CG ARG A 71 6.211 -3.676 -13.319 1.00 0.00 C ATOM 822 CD ARG A 71 6.362 -5.181 -13.158 1.00 0.00 C ATOM 823 NE ARG A 71 6.972 -5.796 -14.334 1.00 0.00 N ATOM 824 CZ ARG A 71 6.891 -7.094 -14.621 1.00 0.00 C ATOM 825 NH1 ARG A 71 6.226 -7.917 -13.820 1.00 0.00 N ATOM 826 NH2 ARG A 71 7.476 -7.569 -15.711 1.00 0.00 N ATOM 0 H ARG A 71 5.908 -4.656 -9.948 1.00 0.00 H new ATOM 0 HA ARG A 71 7.497 -2.532 -11.271 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.720 -3.631 -11.786 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.207 -2.049 -12.360 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.597 -3.464 -14.195 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.189 -3.230 -13.499 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.972 -5.393 -12.280 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.383 -5.627 -12.981 1.00 0.00 H new ATOM 0 HE ARG A 71 7.491 -5.195 -14.974 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.774 -7.556 -12.980 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.167 -8.910 -14.045 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.988 -6.941 -16.330 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.414 -8.563 -15.931 1.00 0.00 H new ATOM 840 N PRO A 72 6.281 -0.606 -10.071 1.00 0.00 N ATOM 841 CA PRO A 72 5.801 0.442 -9.166 1.00 0.00 C ATOM 842 C PRO A 72 4.299 0.658 -9.294 1.00 0.00 C ATOM 843 O PRO A 72 3.802 1.002 -10.366 1.00 0.00 O ATOM 844 CB PRO A 72 6.564 1.687 -9.623 1.00 0.00 C ATOM 845 CG PRO A 72 6.899 1.424 -11.050 1.00 0.00 C ATOM 846 CD PRO A 72 7.113 -0.060 -11.160 1.00 0.00 C ATOM 0 HA PRO A 72 5.969 0.190 -8.119 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.955 2.585 -9.518 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.464 1.841 -9.027 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.093 1.751 -11.707 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.794 1.970 -11.347 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.802 -0.440 -12.133 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.163 -0.325 -11.035 1.00 0.00 H new ATOM 854 N LEU A 73 3.580 0.457 -8.195 1.00 0.00 N ATOM 855 CA LEU A 73 2.130 0.620 -8.197 1.00 0.00 C ATOM 856 C LEU A 73 1.727 2.085 -8.304 1.00 0.00 C ATOM 857 O LEU A 73 2.519 2.985 -8.026 1.00 0.00 O ATOM 858 CB LEU A 73 1.514 0.007 -6.937 1.00 0.00 C ATOM 859 CG LEU A 73 1.410 -1.523 -6.921 1.00 0.00 C ATOM 860 CD1 LEU A 73 0.407 -1.967 -5.869 1.00 0.00 C ATOM 861 CD2 LEU A 73 1.013 -2.063 -8.288 1.00 0.00 C ATOM 0 H LEU A 73 3.975 0.182 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 73 1.750 0.097 -9.075 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.105 0.321 -6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.515 0.422 -6.805 1.00 0.00 H new ATOM 0 HG LEU A 73 2.391 -1.927 -6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.341 -3.055 -5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.731 -1.620 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.571 -1.545 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.947 -3.150 -8.245 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.045 -1.652 -8.574 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.762 -1.774 -9.025 1.00 0.00 H new ATOM 872 N THR A 74 0.481 2.307 -8.711 1.00 0.00 N ATOM 873 CA THR A 74 -0.053 3.653 -8.863 1.00 0.00 C ATOM 874 C THR A 74 -0.961 4.027 -7.696 1.00 0.00 C ATOM 875 O THR A 74 -1.095 3.282 -6.731 1.00 0.00 O ATOM 876 CB THR A 74 -0.847 3.798 -10.174 1.00 0.00 C ATOM 877 OG1 THR A 74 -2.102 3.116 -10.063 1.00 0.00 O ATOM 878 CG2 THR A 74 -0.061 3.235 -11.347 1.00 0.00 C ATOM 0 H THR A 74 -0.180 1.566 -8.942 1.00 0.00 H new ATOM 0 HA THR A 74 0.804 4.326 -8.884 1.00 0.00 H new ATOM 0 HB THR A 74 -1.024 4.859 -10.351 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.723 3.462 -10.737 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.642 3.349 -12.262 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.881 3.774 -11.446 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.142 2.178 -11.175 1.00 0.00 H new ATOM 886 N ASP A 75 -1.576 5.195 -7.811 1.00 0.00 N ATOM 887 CA ASP A 75 -2.481 5.724 -6.798 1.00 0.00 C ATOM 888 C ASP A 75 -3.921 5.299 -7.069 1.00 0.00 C ATOM 889 O ASP A 75 -4.862 5.960 -6.633 1.00 0.00 O ATOM 890 CB ASP A 75 -2.392 7.253 -6.780 1.00 0.00 C ATOM 891 CG ASP A 75 -2.524 7.858 -8.164 1.00 0.00 C ATOM 892 OD1 ASP A 75 -1.487 8.026 -8.840 1.00 0.00 O ATOM 893 OD2 ASP A 75 -3.664 8.163 -8.572 1.00 0.00 O ATOM 0 H ASP A 75 -1.460 5.809 -8.617 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.183 5.323 -5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.176 7.652 -6.136 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.439 7.553 -6.345 1.00 0.00 H new ATOM 898 N LYS A 76 -4.087 4.194 -7.789 1.00 0.00 N ATOM 899 CA LYS A 76 -5.412 3.697 -8.128 1.00 0.00 C ATOM 900 C LYS A 76 -5.371 2.201 -8.411 1.00 0.00 C ATOM 901 O LYS A 76 -6.069 1.705 -9.294 1.00 0.00 O ATOM 902 CB LYS A 76 -5.941 4.446 -9.350 1.00 0.00 C ATOM 903 CG LYS A 76 -6.357 5.878 -9.054 1.00 0.00 C ATOM 904 CD LYS A 76 -6.906 6.567 -10.293 1.00 0.00 C ATOM 905 CE LYS A 76 -5.860 6.653 -11.392 1.00 0.00 C ATOM 906 NZ LYS A 76 -4.661 7.424 -10.961 1.00 0.00 N ATOM 0 H LYS A 76 -3.319 3.627 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.077 3.866 -7.281 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.172 4.452 -10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.796 3.905 -9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.113 5.883 -8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.500 6.436 -8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.776 6.021 -10.659 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.245 7.570 -10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.558 5.647 -11.685 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.297 7.124 -12.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.515 8.228 -11.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.805 7.777 -9.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.825 6.806 -10.983 1.00 0.00 H new ATOM 920 N MET A 77 -4.549 1.489 -7.653 1.00 0.00 N ATOM 921 CA MET A 77 -4.397 0.050 -7.834 1.00 0.00 C ATOM 922 C MET A 77 -5.503 -0.761 -7.160 1.00 0.00 C ATOM 923 O MET A 77 -5.977 -1.745 -7.730 1.00 0.00 O ATOM 924 CB MET A 77 -3.039 -0.410 -7.305 1.00 0.00 C ATOM 925 CG MET A 77 -1.866 0.021 -8.168 1.00 0.00 C ATOM 926 SD MET A 77 -1.966 -0.616 -9.855 1.00 0.00 S ATOM 927 CE MET A 77 -2.987 0.628 -10.642 1.00 0.00 C ATOM 0 H MET A 77 -3.977 1.883 -6.906 1.00 0.00 H new ATOM 0 HA MET A 77 -4.468 -0.132 -8.906 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.900 -0.017 -6.298 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.040 -1.497 -7.226 1.00 0.00 H new ATOM 0 HG2 MET A 77 -1.824 1.110 -8.198 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.938 -0.322 -7.710 1.00 0.00 H new ATOM 0 HE1 MET A 77 -3.811 0.144 -11.166 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.385 1.304 -9.885 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.387 1.194 -11.355 1.00 0.00 H new ATOM 937 N LYS A 78 -5.955 -0.344 -5.980 1.00 0.00 N ATOM 938 CA LYS A 78 -6.972 -1.116 -5.274 1.00 0.00 C ATOM 939 C LYS A 78 -8.228 -1.270 -6.122 1.00 0.00 C ATOM 940 O LYS A 78 -8.578 -2.379 -6.528 1.00 0.00 O ATOM 941 CB LYS A 78 -7.325 -0.495 -3.926 1.00 0.00 C ATOM 942 CG LYS A 78 -8.148 -1.413 -3.038 1.00 0.00 C ATOM 943 CD LYS A 78 -9.592 -0.952 -2.910 1.00 0.00 C ATOM 944 CE LYS A 78 -10.482 -1.557 -3.986 1.00 0.00 C ATOM 945 NZ LYS A 78 -10.222 -3.011 -4.178 1.00 0.00 N ATOM 0 H LYS A 78 -5.643 0.502 -5.503 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.548 -2.103 -5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.406 -0.226 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.878 0.429 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.127 -2.424 -3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.695 -1.459 -2.048 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.974 -1.227 -1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.632 0.135 -2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.528 -1.409 -3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.319 -1.033 -4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.111 -3.493 -4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.535 -3.142 -4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.839 -3.414 -3.299 1.00 0.00 H new ATOM 959 N PHE A 79 -8.905 -0.163 -6.387 1.00 0.00 N ATOM 960 CA PHE A 79 -10.116 -0.188 -7.197 1.00 0.00 C ATOM 961 C PHE A 79 -9.878 -0.816 -8.575 1.00 0.00 C ATOM 962 O PHE A 79 -10.834 -1.160 -9.269 1.00 0.00 O ATOM 963 CB PHE A 79 -10.665 1.228 -7.378 1.00 0.00 C ATOM 964 CG PHE A 79 -11.962 1.275 -8.136 1.00 0.00 C ATOM 965 CD1 PHE A 79 -12.997 0.410 -7.818 1.00 0.00 C ATOM 966 CD2 PHE A 79 -12.146 2.185 -9.166 1.00 0.00 C ATOM 967 CE1 PHE A 79 -14.190 0.452 -8.513 1.00 0.00 C ATOM 968 CE2 PHE A 79 -13.338 2.230 -9.865 1.00 0.00 C ATOM 969 CZ PHE A 79 -14.361 1.362 -9.538 1.00 0.00 C ATOM 0 H PHE A 79 -8.638 0.763 -6.054 1.00 0.00 H new ATOM 0 HA PHE A 79 -10.841 -0.804 -6.664 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -10.810 1.681 -6.397 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.925 1.832 -7.902 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.869 -0.305 -7.018 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -11.349 2.866 -9.425 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -14.989 -0.227 -8.255 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.469 2.943 -10.666 1.00 0.00 H new ATOM 0 HZ PHE A 79 -15.293 1.395 -10.083 1.00 0.00 H new ATOM 979 N GLU A 80 -8.613 -0.956 -8.981 1.00 0.00 N ATOM 980 CA GLU A 80 -8.302 -1.527 -10.292 1.00 0.00 C ATOM 981 C GLU A 80 -8.128 -3.043 -10.233 1.00 0.00 C ATOM 982 O GLU A 80 -8.303 -3.731 -11.239 1.00 0.00 O ATOM 983 CB GLU A 80 -7.043 -0.881 -10.873 1.00 0.00 C ATOM 984 CG GLU A 80 -7.301 0.460 -11.541 1.00 0.00 C ATOM 985 CD GLU A 80 -6.078 1.002 -12.254 1.00 0.00 C ATOM 986 OE1 GLU A 80 -5.851 0.615 -13.420 1.00 0.00 O ATOM 987 OE2 GLU A 80 -5.345 1.812 -11.647 1.00 0.00 O ATOM 0 H GLU A 80 -7.799 -0.686 -8.429 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.151 -1.316 -10.942 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.313 -0.746 -10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.598 -1.560 -11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.117 0.354 -12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.627 1.179 -10.790 1.00 0.00 H new ATOM 994 N GLU A 81 -7.782 -3.561 -9.061 1.00 0.00 N ATOM 995 CA GLU A 81 -7.578 -4.990 -8.894 1.00 0.00 C ATOM 996 C GLU A 81 -8.878 -5.628 -8.455 1.00 0.00 C ATOM 997 O GLU A 81 -9.416 -6.515 -9.116 1.00 0.00 O ATOM 998 CB GLU A 81 -6.475 -5.262 -7.870 1.00 0.00 C ATOM 999 CG GLU A 81 -6.018 -6.711 -7.837 1.00 0.00 C ATOM 1000 CD GLU A 81 -5.469 -7.179 -9.171 1.00 0.00 C ATOM 1001 OE1 GLU A 81 -4.247 -7.037 -9.393 1.00 0.00 O ATOM 1002 OE2 GLU A 81 -6.260 -7.687 -9.994 1.00 0.00 O ATOM 0 H GLU A 81 -7.637 -3.011 -8.214 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.265 -5.422 -9.844 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.619 -4.625 -8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.833 -4.980 -6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.252 -6.829 -7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.856 -7.346 -7.550 1.00 0.00 H new ATOM 1009 N LEU A 82 -9.366 -5.152 -7.313 1.00 0.00 N ATOM 1010 CA LEU A 82 -10.616 -5.615 -6.734 1.00 0.00 C ATOM 1011 C LEU A 82 -10.475 -7.001 -6.115 1.00 0.00 C ATOM 1012 O LEU A 82 -11.342 -7.439 -5.358 1.00 0.00 O ATOM 1013 CB LEU A 82 -11.731 -5.610 -7.779 1.00 0.00 C ATOM 1014 CG LEU A 82 -12.040 -4.255 -8.424 1.00 0.00 C ATOM 1015 CD1 LEU A 82 -12.200 -3.180 -7.361 1.00 0.00 C ATOM 1016 CD2 LEU A 82 -10.957 -3.871 -9.417 1.00 0.00 C ATOM 0 H LEU A 82 -8.900 -4.430 -6.763 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.879 -4.921 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.466 -6.314 -8.568 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -12.642 -5.984 -7.311 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.981 -4.343 -8.966 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.419 -2.225 -7.839 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -13.019 -3.448 -6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.277 -3.095 -6.787 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.197 -2.906 -9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.998 -3.804 -8.902 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.897 -4.627 -10.200 1.00 0.00 H new ATOM 1028 N LYS A 83 -9.385 -7.688 -6.431 1.00 0.00 N ATOM 1029 CA LYS A 83 -9.139 -9.016 -5.895 1.00 0.00 C ATOM 1030 C LYS A 83 -8.131 -8.948 -4.752 1.00 0.00 C ATOM 1031 O LYS A 83 -7.746 -9.973 -4.188 1.00 0.00 O ATOM 1032 CB LYS A 83 -8.609 -9.941 -6.992 1.00 0.00 C ATOM 1033 CG LYS A 83 -9.236 -9.715 -8.359 1.00 0.00 C ATOM 1034 CD LYS A 83 -10.631 -10.304 -8.438 1.00 0.00 C ATOM 1035 CE LYS A 83 -11.662 -9.368 -7.837 1.00 0.00 C ATOM 1036 NZ LYS A 83 -13.020 -9.979 -7.811 1.00 0.00 N ATOM 0 H LYS A 83 -8.657 -7.345 -7.057 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.081 -9.414 -5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.530 -9.808 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.781 -10.975 -6.693 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.280 -8.646 -8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.607 -10.164 -9.127 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.884 -10.506 -9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.655 -11.259 -7.913 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.364 -9.103 -6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.691 -8.443 -8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.695 -9.307 -7.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.316 -10.209 -8.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.999 -10.848 -7.241 1.00 0.00 H new ATOM 1050 N ILE A 84 -7.708 -7.732 -4.414 1.00 0.00 N ATOM 1051 CA ILE A 84 -6.739 -7.530 -3.352 1.00 0.00 C ATOM 1052 C ILE A 84 -7.262 -7.927 -1.968 1.00 0.00 C ATOM 1053 O ILE A 84 -6.469 -8.278 -1.095 1.00 0.00 O ATOM 1054 CB ILE A 84 -6.210 -6.078 -3.314 1.00 0.00 C ATOM 1055 CG1 ILE A 84 -7.349 -5.057 -3.237 1.00 0.00 C ATOM 1056 CG2 ILE A 84 -5.338 -5.805 -4.530 1.00 0.00 C ATOM 1057 CD1 ILE A 84 -7.850 -4.808 -1.830 1.00 0.00 C ATOM 0 H ILE A 84 -8.025 -6.873 -4.864 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.914 -8.200 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.611 -5.969 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.009 -4.114 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.179 -5.405 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.971 -4.779 -4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.492 -6.493 -4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.925 -5.947 -5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.656 -4.074 -1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.222 -5.741 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.034 -4.430 -1.215 1.00 0.00 H new ATOM 1069 N PRO A 85 -8.588 -7.881 -1.724 1.00 0.00 N ATOM 1070 CA PRO A 85 -9.147 -8.255 -0.421 1.00 0.00 C ATOM 1071 C PRO A 85 -9.040 -9.755 -0.157 1.00 0.00 C ATOM 1072 O PRO A 85 -10.050 -10.436 0.024 1.00 0.00 O ATOM 1073 CB PRO A 85 -10.623 -7.830 -0.511 1.00 0.00 C ATOM 1074 CG PRO A 85 -10.724 -6.981 -1.734 1.00 0.00 C ATOM 1075 CD PRO A 85 -9.641 -7.456 -2.657 1.00 0.00 C ATOM 0 HA PRO A 85 -8.609 -7.778 0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -11.277 -8.699 -0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -10.926 -7.275 0.377 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -11.705 -7.081 -2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.594 -5.927 -1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.978 -8.278 -3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.298 -6.663 -3.321 1.00 0.00 H new ATOM 1083 N LYS A 86 -7.812 -10.272 -0.135 1.00 0.00 N ATOM 1084 CA LYS A 86 -7.600 -11.694 0.108 1.00 0.00 C ATOM 1085 C LYS A 86 -6.128 -12.003 0.410 1.00 0.00 C ATOM 1086 O LYS A 86 -5.718 -11.990 1.571 1.00 0.00 O ATOM 1087 CB LYS A 86 -8.100 -12.516 -1.088 1.00 0.00 C ATOM 1088 CG LYS A 86 -8.291 -13.997 -0.789 1.00 0.00 C ATOM 1089 CD LYS A 86 -6.968 -14.700 -0.531 1.00 0.00 C ATOM 1090 CE LYS A 86 -7.139 -16.211 -0.482 1.00 0.00 C ATOM 1091 NZ LYS A 86 -7.645 -16.756 -1.772 1.00 0.00 N ATOM 0 H LYS A 86 -6.959 -9.732 -0.281 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.175 -11.975 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.048 -12.100 -1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.391 -12.411 -1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.938 -14.111 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.798 -14.474 -1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.257 -14.439 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.547 -14.350 0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.183 -16.677 -0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.831 -16.472 0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.068 -17.574 -2.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.635 -17.054 -1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.586 -16.022 -2.506 1.00 0.00 H new ATOM 1105 N ASP A 87 -5.336 -12.281 -0.627 1.00 0.00 N ATOM 1106 CA ASP A 87 -3.925 -12.612 -0.438 1.00 0.00 C ATOM 1107 C ASP A 87 -2.996 -11.558 -1.041 1.00 0.00 C ATOM 1108 O ASP A 87 -1.854 -11.413 -0.605 1.00 0.00 O ATOM 1109 CB ASP A 87 -3.620 -13.980 -1.052 1.00 0.00 C ATOM 1110 CG ASP A 87 -2.187 -14.415 -0.817 1.00 0.00 C ATOM 1111 OD1 ASP A 87 -1.927 -15.070 0.214 1.00 0.00 O ATOM 1112 OD2 ASP A 87 -1.324 -14.098 -1.663 1.00 0.00 O ATOM 0 H ASP A 87 -5.646 -12.283 -1.599 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.741 -12.637 0.636 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.296 -14.723 -0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.815 -13.945 -2.124 1.00 0.00 H new ATOM 1117 N TYR A 88 -3.483 -10.829 -2.044 1.00 0.00 N ATOM 1118 CA TYR A 88 -2.675 -9.803 -2.710 1.00 0.00 C ATOM 1119 C TYR A 88 -1.900 -8.949 -1.710 1.00 0.00 C ATOM 1120 O TYR A 88 -2.432 -8.534 -0.678 1.00 0.00 O ATOM 1121 CB TYR A 88 -3.555 -8.908 -3.582 1.00 0.00 C ATOM 1122 CG TYR A 88 -3.991 -9.561 -4.873 1.00 0.00 C ATOM 1123 CD1 TYR A 88 -5.034 -10.480 -4.894 1.00 0.00 C ATOM 1124 CD2 TYR A 88 -3.358 -9.261 -6.072 1.00 0.00 C ATOM 1125 CE1 TYR A 88 -5.432 -11.079 -6.073 1.00 0.00 C ATOM 1126 CE2 TYR A 88 -3.751 -9.855 -7.255 1.00 0.00 C ATOM 1127 CZ TYR A 88 -4.788 -10.764 -7.252 1.00 0.00 C ATOM 1128 OH TYR A 88 -5.182 -11.358 -8.428 1.00 0.00 O ATOM 0 H TYR A 88 -4.429 -10.927 -2.414 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.952 -10.323 -3.339 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.439 -8.618 -3.014 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.011 -7.992 -3.813 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.541 -10.729 -3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.544 -8.551 -6.079 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.244 -11.791 -6.072 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.248 -9.609 -8.179 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.627 -11.026 -9.164 1.00 0.00 H new ATOM 1138 N VAL A 89 -0.636 -8.690 -2.032 1.00 0.00 N ATOM 1139 CA VAL A 89 0.228 -7.891 -1.174 1.00 0.00 C ATOM 1140 C VAL A 89 1.161 -7.012 -1.999 1.00 0.00 C ATOM 1141 O VAL A 89 1.879 -7.502 -2.871 1.00 0.00 O ATOM 1142 CB VAL A 89 1.078 -8.786 -0.247 1.00 0.00 C ATOM 1143 CG1 VAL A 89 1.981 -9.701 -1.061 1.00 0.00 C ATOM 1144 CG2 VAL A 89 1.898 -7.937 0.717 1.00 0.00 C ATOM 0 H VAL A 89 -0.187 -9.024 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.423 -7.260 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 89 0.402 -9.409 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.571 -10.323 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.371 -10.338 -1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.649 -9.099 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.490 -8.587 1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.563 -7.284 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.229 -7.332 1.329 1.00 0.00 H new ATOM 1154 N VAL A 90 1.146 -5.712 -1.726 1.00 0.00 N ATOM 1155 CA VAL A 90 2.011 -4.786 -2.437 1.00 0.00 C ATOM 1156 C VAL A 90 3.364 -4.716 -1.753 1.00 0.00 C ATOM 1157 O VAL A 90 3.447 -4.557 -0.535 1.00 0.00 O ATOM 1158 CB VAL A 90 1.415 -3.365 -2.526 1.00 0.00 C ATOM 1159 CG1 VAL A 90 2.270 -2.487 -3.428 1.00 0.00 C ATOM 1160 CG2 VAL A 90 -0.023 -3.421 -3.018 1.00 0.00 C ATOM 0 H VAL A 90 0.548 -5.280 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 90 2.115 -5.166 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 90 1.412 -2.923 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.837 -1.488 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.280 -2.423 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.307 -2.920 -4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.428 -2.411 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.052 -3.880 -4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.622 -4.013 -2.326 1.00 0.00 H new ATOM 1170 N GLN A 91 4.423 -4.834 -2.537 1.00 0.00 N ATOM 1171 CA GLN A 91 5.762 -4.791 -1.993 1.00 0.00 C ATOM 1172 C GLN A 91 6.213 -3.354 -1.871 1.00 0.00 C ATOM 1173 O GLN A 91 6.184 -2.593 -2.835 1.00 0.00 O ATOM 1174 CB GLN A 91 6.740 -5.589 -2.849 1.00 0.00 C ATOM 1175 CG GLN A 91 8.059 -5.840 -2.143 1.00 0.00 C ATOM 1176 CD GLN A 91 9.158 -4.901 -2.601 1.00 0.00 C ATOM 1177 OE1 GLN A 91 9.157 -4.434 -3.740 1.00 0.00 O ATOM 1178 NE2 GLN A 91 10.105 -4.622 -1.714 1.00 0.00 N ATOM 0 H GLN A 91 4.378 -4.960 -3.548 1.00 0.00 H new ATOM 0 HA GLN A 91 5.746 -5.250 -1.005 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.288 -6.544 -3.117 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.926 -5.052 -3.779 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.917 -5.729 -1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.370 -6.870 -2.319 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.066 -5.032 -0.781 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.872 -3.998 -1.966 1.00 0.00 H new ATOM 1187 N VAL A 92 6.636 -2.993 -0.679 1.00 0.00 N ATOM 1188 CA VAL A 92 7.055 -1.634 -0.403 1.00 0.00 C ATOM 1189 C VAL A 92 8.548 -1.536 -0.123 1.00 0.00 C ATOM 1190 O VAL A 92 9.228 -2.541 0.080 1.00 0.00 O ATOM 1191 CB VAL A 92 6.303 -1.101 0.818 1.00 0.00 C ATOM 1192 CG1 VAL A 92 4.848 -0.813 0.496 1.00 0.00 C ATOM 1193 CG2 VAL A 92 6.389 -2.110 1.929 1.00 0.00 C ATOM 0 H VAL A 92 6.699 -3.625 0.119 1.00 0.00 H new ATOM 0 HA VAL A 92 6.830 -1.044 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 92 6.766 -0.163 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.346 -0.436 1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.792 -0.066 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.360 -1.730 0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.855 -1.736 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.940 -3.049 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.434 -2.278 2.188 1.00 0.00 H new ATOM 1203 N ILE A 93 9.041 -0.306 -0.117 1.00 0.00 N ATOM 1204 CA ILE A 93 10.440 -0.029 0.167 1.00 0.00 C ATOM 1205 C ILE A 93 10.556 1.332 0.832 1.00 0.00 C ATOM 1206 O ILE A 93 10.038 2.327 0.323 1.00 0.00 O ATOM 1207 CB ILE A 93 11.313 -0.050 -1.101 1.00 0.00 C ATOM 1208 CG1 ILE A 93 10.877 -1.182 -2.034 1.00 0.00 C ATOM 1209 CG2 ILE A 93 12.779 -0.202 -0.729 1.00 0.00 C ATOM 1210 CD1 ILE A 93 11.679 -1.252 -3.316 1.00 0.00 C ATOM 0 H ILE A 93 8.483 0.526 -0.309 1.00 0.00 H new ATOM 0 HA ILE A 93 10.803 -0.816 0.828 1.00 0.00 H new ATOM 0 HB ILE A 93 11.184 0.896 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.967 -2.132 -1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.823 -1.053 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.385 -0.215 -1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 93 13.084 0.635 -0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.921 -1.135 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.315 -2.077 -3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.569 -0.317 -3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.731 -1.412 -3.079 1.00 0.00 H new ATOM 1222 N VAL A 94 11.229 1.371 1.971 1.00 0.00 N ATOM 1223 CA VAL A 94 11.391 2.610 2.717 1.00 0.00 C ATOM 1224 C VAL A 94 12.844 2.792 3.157 1.00 0.00 C ATOM 1225 O VAL A 94 13.316 2.141 4.089 1.00 0.00 O ATOM 1226 CB VAL A 94 10.435 2.651 3.943 1.00 0.00 C ATOM 1227 CG1 VAL A 94 9.046 2.163 3.553 1.00 0.00 C ATOM 1228 CG2 VAL A 94 10.972 1.828 5.107 1.00 0.00 C ATOM 0 H VAL A 94 11.672 0.559 2.400 1.00 0.00 H new ATOM 0 HA VAL A 94 11.128 3.437 2.057 1.00 0.00 H new ATOM 0 HB VAL A 94 10.370 3.689 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.390 2.198 4.423 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.643 2.803 2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 94 9.110 1.138 3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.275 1.883 5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.085 0.789 4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.940 2.222 5.415 1.00 0.00 H new