USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 397 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 16 CYS SG : rot -48:sc= -1.17 USER MOD Set 1.2: A 34 CYS SG : rot -99:sc= 2.15 USER MOD Set 1.3: A 38 TYR OH : rot -118:sc= 0.549 USER MOD Set 1.4: A 43 CYS SG : rot -75:sc= 2.03 USER MOD Set 2.1: A 8 CYS SG : rot -165:sc= 0.38 USER MOD Set 2.2: A 15 TYR OH : rot 80:sc= -0.677! USER MOD Set 2.3: A 21 CYS SG : rot 26:sc= 1.44 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -1.38 F(o=-2.6!,f=-1.4) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0887 (180deg=-0.412!) USER MOD Single : A 14 HIS : no HD1:sc= -0.0524 X(o=-0.052,f=-0.0051) USER MOD Single : A 18 LYS NZ :NH3+ 148:sc= -0.345 (180deg=-1.18) USER MOD Single : A 28 GLN : amide:sc= -0.399 K(o=-0.4,f=-2.8!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0506 USER MOD Single : A 31 SER OG : rot 20:sc=-0.00507 USER MOD Single : A 32 CYS SG : rot 43:sc= 0.62 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 10.235 10.617 -9.392 1.00 0.00 N ATOM 2 CA ARG A 1 9.792 10.147 -10.736 1.00 0.00 C ATOM 3 C ARG A 1 8.437 10.766 -11.093 1.00 0.00 C ATOM 4 O ARG A 1 8.281 11.390 -12.124 1.00 0.00 O ATOM 5 CB ARG A 1 9.670 8.628 -10.606 1.00 0.00 C ATOM 6 CG ARG A 1 10.266 7.960 -11.847 1.00 0.00 C ATOM 7 CD ARG A 1 10.173 6.440 -11.703 1.00 0.00 C ATOM 8 NE ARG A 1 10.725 6.147 -10.351 1.00 0.00 N ATOM 9 CZ ARG A 1 11.877 5.546 -10.232 1.00 0.00 C ATOM 10 NH1 ARG A 1 12.976 6.248 -10.181 1.00 0.00 N ATOM 11 NH2 ARG A 1 11.929 4.243 -10.165 1.00 0.00 N ATOM 0 H1 ARG A 1 11.155 10.191 -9.161 1.00 0.00 H new ATOM 0 H2 ARG A 1 10.326 11.653 -9.399 1.00 0.00 H new ATOM 0 H3 ARG A 1 9.534 10.336 -8.677 1.00 0.00 H new ATOM 0 HA ARG A 1 10.489 10.433 -11.523 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.190 8.286 -9.711 1.00 0.00 H new ATOM 0 HB3 ARG A 1 8.623 8.345 -10.495 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.732 8.285 -12.740 1.00 0.00 H new ATOM 0 HG3 ARG A 1 11.306 8.261 -11.971 1.00 0.00 H new ATOM 0 HD2 ARG A 1 9.142 6.097 -11.791 1.00 0.00 H new ATOM 0 HD3 ARG A 1 10.745 5.934 -12.481 1.00 0.00 H new ATOM 0 HE ARG A 1 10.202 6.416 -9.518 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.934 7.266 -10.234 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.877 5.779 -10.088 1.00 0.00 H new ATOM 0 HH21 ARG A 1 11.069 3.696 -10.206 1.00 0.00 H new ATOM 0 HH22 ARG A 1 12.829 3.773 -10.072 1.00 0.00 H new ATOM 27 N LYS A 2 7.455 10.598 -10.249 1.00 0.00 N ATOM 28 CA LYS A 2 6.113 11.178 -10.541 1.00 0.00 C ATOM 29 C LYS A 2 5.476 11.713 -9.255 1.00 0.00 C ATOM 30 O LYS A 2 5.676 11.178 -8.183 1.00 0.00 O ATOM 31 CB LYS A 2 5.293 10.015 -11.102 1.00 0.00 C ATOM 32 CG LYS A 2 5.205 10.139 -12.625 1.00 0.00 C ATOM 33 CD LYS A 2 5.664 8.831 -13.271 1.00 0.00 C ATOM 34 CE LYS A 2 4.513 8.233 -14.084 1.00 0.00 C ATOM 35 NZ LYS A 2 4.876 8.484 -15.507 1.00 0.00 N ATOM 0 H LYS A 2 7.524 10.084 -9.370 1.00 0.00 H new ATOM 0 HA LYS A 2 6.167 12.013 -11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.755 9.066 -10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.293 10.019 -10.668 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.181 10.365 -12.924 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.827 10.965 -12.970 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.523 9.013 -13.916 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.986 8.127 -12.504 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.403 7.167 -13.887 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.564 8.704 -13.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.134 8.102 -16.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.968 9.508 -15.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.781 8.018 -15.722 1.00 0.00 H new ATOM 49 N GLY A 3 4.711 12.765 -9.354 1.00 0.00 N ATOM 50 CA GLY A 3 4.064 13.334 -8.138 1.00 0.00 C ATOM 51 C GLY A 3 2.581 12.961 -8.124 1.00 0.00 C ATOM 52 O GLY A 3 1.804 13.433 -8.931 1.00 0.00 O ATOM 0 H GLY A 3 4.506 13.255 -10.225 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.554 12.954 -7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 3 4.177 14.418 -8.127 1.00 0.00 H new ATOM 56 N HIS A 4 2.180 12.118 -7.211 1.00 0.00 N ATOM 57 CA HIS A 4 0.749 11.716 -7.141 1.00 0.00 C ATOM 58 C HIS A 4 0.165 12.113 -5.782 1.00 0.00 C ATOM 59 O HIS A 4 0.128 13.275 -5.430 1.00 0.00 O ATOM 60 CB HIS A 4 0.767 10.197 -7.328 1.00 0.00 C ATOM 61 CG HIS A 4 1.147 9.871 -8.746 1.00 0.00 C ATOM 62 ND1 HIS A 4 0.639 10.290 -9.950 1.00 0.00 N flip ATOM 63 CD2 HIS A 4 2.181 9.000 -9.054 1.00 0.00 C flip ATOM 64 CE1 HIS A 4 1.343 9.691 -10.990 1.00 0.00 C flip ATOM 65 NE2 HIS A 4 2.260 8.923 -10.394 1.00 0.00 N flip ATOM 0 H HIS A 4 2.785 11.690 -6.510 1.00 0.00 H new ATOM 0 HA HIS A 4 0.128 12.202 -7.894 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.477 9.743 -6.636 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -0.213 9.780 -7.098 1.00 0.00 H new ATOM 0 HD2 HIS A 4 2.809 8.478 -8.346 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.183 9.819 -12.050 1.00 0.00 H new ATOM 0 HE2 HIS A 4 2.938 8.348 -10.895 1.00 0.00 H new ATOM 73 N PHE A 5 -0.290 11.165 -5.019 1.00 0.00 N ATOM 74 CA PHE A 5 -0.870 11.491 -3.685 1.00 0.00 C ATOM 75 C PHE A 5 0.180 11.275 -2.586 1.00 0.00 C ATOM 76 O PHE A 5 1.302 11.727 -2.697 1.00 0.00 O ATOM 77 CB PHE A 5 -2.047 10.528 -3.526 1.00 0.00 C ATOM 78 CG PHE A 5 -3.012 10.724 -4.670 1.00 0.00 C ATOM 79 CD1 PHE A 5 -3.893 11.812 -4.662 1.00 0.00 C ATOM 80 CD2 PHE A 5 -3.025 9.822 -5.740 1.00 0.00 C ATOM 81 CE1 PHE A 5 -4.787 11.997 -5.723 1.00 0.00 C ATOM 82 CE2 PHE A 5 -3.919 10.007 -6.801 1.00 0.00 C ATOM 83 CZ PHE A 5 -4.800 11.096 -6.792 1.00 0.00 C ATOM 0 H PHE A 5 -0.287 10.174 -5.259 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.189 12.530 -3.606 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.689 9.498 -3.510 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.551 10.706 -2.576 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.883 12.509 -3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.345 8.983 -5.747 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.467 12.836 -5.716 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.930 9.310 -7.626 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.489 11.240 -7.611 1.00 0.00 H new ATOM 93 N SER A 6 -0.167 10.591 -1.528 1.00 0.00 N ATOM 94 CA SER A 6 0.823 10.361 -0.437 1.00 0.00 C ATOM 95 C SER A 6 0.826 8.887 -0.021 1.00 0.00 C ATOM 96 O SER A 6 -0.191 8.222 -0.050 1.00 0.00 O ATOM 97 CB SER A 6 0.350 11.242 0.719 1.00 0.00 C ATOM 98 OG SER A 6 1.363 12.188 1.032 1.00 0.00 O ATOM 0 H SER A 6 -1.089 10.183 -1.373 1.00 0.00 H new ATOM 0 HA SER A 6 1.839 10.603 -0.747 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.572 11.756 0.447 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.127 10.628 1.592 1.00 0.00 H new ATOM 0 HG SER A 6 1.063 12.756 1.772 1.00 0.00 H new ATOM 104 N ARG A 7 1.960 8.374 0.366 1.00 0.00 N ATOM 105 CA ARG A 7 2.031 6.945 0.786 1.00 0.00 C ATOM 106 C ARG A 7 1.527 6.793 2.224 1.00 0.00 C ATOM 107 O ARG A 7 1.575 7.719 3.008 1.00 0.00 O ATOM 108 CB ARG A 7 3.512 6.576 0.694 1.00 0.00 C ATOM 109 CG ARG A 7 3.839 6.118 -0.730 1.00 0.00 C ATOM 110 CD ARG A 7 5.236 6.608 -1.116 1.00 0.00 C ATOM 111 NE ARG A 7 6.122 5.424 -0.943 1.00 0.00 N ATOM 112 CZ ARG A 7 7.355 5.464 -1.369 1.00 0.00 C ATOM 113 NH1 ARG A 7 8.092 6.516 -1.137 1.00 0.00 N ATOM 114 NH2 ARG A 7 7.853 4.452 -2.026 1.00 0.00 N ATOM 0 H ARG A 7 2.843 8.883 0.410 1.00 0.00 H new ATOM 0 HA ARG A 7 1.413 6.300 0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.128 7.434 0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.744 5.783 1.405 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.793 5.031 -0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.099 6.509 -1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.257 6.970 -2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.554 7.435 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 7 5.765 4.582 -0.492 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.704 7.307 -0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 7 9.056 6.547 -1.470 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.278 3.629 -2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.817 4.484 -2.359 1.00 0.00 H new ATOM 128 N CYS A 8 1.044 5.633 2.575 1.00 0.00 N ATOM 129 CA CYS A 8 0.538 5.427 3.963 1.00 0.00 C ATOM 130 C CYS A 8 1.701 5.129 4.913 1.00 0.00 C ATOM 131 O CYS A 8 2.585 4.359 4.592 1.00 0.00 O ATOM 132 CB CYS A 8 -0.399 4.224 3.868 1.00 0.00 C ATOM 133 SG CYS A 8 -1.997 4.645 4.608 1.00 0.00 S ATOM 0 H CYS A 8 0.978 4.820 1.963 1.00 0.00 H new ATOM 0 HA CYS A 8 0.030 6.310 4.352 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.533 3.936 2.826 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.038 3.368 4.382 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.678 3.558 4.818 1.00 0.00 H new ATOM 138 N PRO A 9 1.658 5.754 6.058 1.00 0.00 N ATOM 139 CA PRO A 9 2.720 5.557 7.075 1.00 0.00 C ATOM 140 C PRO A 9 2.577 4.184 7.738 1.00 0.00 C ATOM 141 O PRO A 9 1.511 3.601 7.756 1.00 0.00 O ATOM 142 CB PRO A 9 2.463 6.676 8.080 1.00 0.00 C ATOM 143 CG PRO A 9 1.012 7.008 7.932 1.00 0.00 C ATOM 144 CD PRO A 9 0.625 6.693 6.510 1.00 0.00 C ATOM 0 HA PRO A 9 3.726 5.588 6.657 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.692 6.354 9.096 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.089 7.544 7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.411 6.427 8.632 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.833 8.060 8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.369 6.249 6.456 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.606 7.592 5.894 1.00 0.00 H new ATOM 152 N LYS A 10 3.642 3.663 8.283 1.00 0.00 N ATOM 153 CA LYS A 10 3.565 2.329 8.944 1.00 0.00 C ATOM 154 C LYS A 10 2.617 2.388 10.144 1.00 0.00 C ATOM 155 O LYS A 10 2.014 1.402 10.521 1.00 0.00 O ATOM 156 CB LYS A 10 4.993 2.030 9.403 1.00 0.00 C ATOM 157 CG LYS A 10 4.982 0.843 10.369 1.00 0.00 C ATOM 158 CD LYS A 10 6.400 0.590 10.886 1.00 0.00 C ATOM 159 CE LYS A 10 6.570 1.254 12.254 1.00 0.00 C ATOM 160 NZ LYS A 10 7.389 0.295 13.047 1.00 0.00 N ATOM 0 H LYS A 10 4.562 4.103 8.299 1.00 0.00 H new ATOM 0 HA LYS A 10 3.183 1.558 8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.623 1.806 8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.420 2.906 9.892 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.311 1.046 11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.604 -0.046 9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.584 -0.481 10.964 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.131 0.989 10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.068 2.220 12.165 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.605 1.435 12.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.549 0.680 14.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.887 -0.613 13.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.304 0.147 12.575 1.00 0.00 H new ATOM 174 N GLN A 11 2.482 3.537 10.748 1.00 0.00 N ATOM 175 CA GLN A 11 1.575 3.660 11.925 1.00 0.00 C ATOM 176 C GLN A 11 0.155 3.228 11.548 1.00 0.00 C ATOM 177 O GLN A 11 -0.648 2.895 12.397 1.00 0.00 O ATOM 178 CB GLN A 11 1.601 5.145 12.288 1.00 0.00 C ATOM 179 CG GLN A 11 2.086 5.310 13.730 1.00 0.00 C ATOM 180 CD GLN A 11 2.357 6.788 14.011 1.00 0.00 C ATOM 181 OE1 GLN A 11 3.470 7.252 13.867 1.00 0.00 O ATOM 182 NE2 GLN A 11 1.378 7.554 14.409 1.00 0.00 N ATOM 0 H GLN A 11 2.961 4.396 10.477 1.00 0.00 H new ATOM 0 HA GLN A 11 1.889 3.028 12.756 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.260 5.685 11.608 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.606 5.575 12.176 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.336 4.929 14.423 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.993 4.726 13.889 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.443 7.165 14.530 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.548 8.542 14.599 1.00 0.00 H new ATOM 191 N TYR A 12 -0.161 3.230 10.283 1.00 0.00 N ATOM 192 CA TYR A 12 -1.530 2.820 9.856 1.00 0.00 C ATOM 193 C TYR A 12 -1.449 1.698 8.818 1.00 0.00 C ATOM 194 O TYR A 12 -2.445 1.290 8.254 1.00 0.00 O ATOM 195 CB TYR A 12 -2.146 4.078 9.244 1.00 0.00 C ATOM 196 CG TYR A 12 -3.026 4.754 10.266 1.00 0.00 C ATOM 197 CD1 TYR A 12 -4.247 4.174 10.632 1.00 0.00 C ATOM 198 CD2 TYR A 12 -2.621 5.961 10.851 1.00 0.00 C ATOM 199 CE1 TYR A 12 -5.064 4.801 11.580 1.00 0.00 C ATOM 200 CE2 TYR A 12 -3.438 6.587 11.800 1.00 0.00 C ATOM 201 CZ TYR A 12 -4.659 6.008 12.165 1.00 0.00 C ATOM 202 OH TYR A 12 -5.464 6.625 13.100 1.00 0.00 O ATOM 0 H TYR A 12 0.468 3.497 9.526 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.125 2.438 10.686 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.360 4.759 8.917 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -2.729 3.818 8.361 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.558 3.243 10.183 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.679 6.408 10.570 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.006 4.354 11.860 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.126 7.517 12.251 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.035 7.451 13.407 1.00 0.00 H new ATOM 212 N LYS A 13 -0.273 1.193 8.565 1.00 0.00 N ATOM 213 CA LYS A 13 -0.134 0.094 7.567 1.00 0.00 C ATOM 214 C LYS A 13 -0.364 -1.260 8.242 1.00 0.00 C ATOM 215 O LYS A 13 0.304 -2.235 7.953 1.00 0.00 O ATOM 216 CB LYS A 13 1.305 0.201 7.057 1.00 0.00 C ATOM 217 CG LYS A 13 1.551 -0.870 5.992 1.00 0.00 C ATOM 218 CD LYS A 13 2.845 -1.623 6.313 1.00 0.00 C ATOM 219 CE LYS A 13 3.922 -1.251 5.291 1.00 0.00 C ATOM 220 NZ LYS A 13 3.408 -1.757 3.988 1.00 0.00 N ATOM 0 H LYS A 13 0.597 1.493 9.005 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.860 0.175 6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.481 1.192 6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.005 0.075 7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.712 -1.565 5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.621 -0.409 5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.183 -1.374 7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.667 -2.698 6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.082 -0.173 5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.879 -1.708 5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.185 -1.789 3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.019 -2.713 4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.661 -1.123 3.640 1.00 0.00 H new ATOM 234 N HIS A 14 -1.313 -1.335 9.135 1.00 0.00 N ATOM 235 CA HIS A 14 -1.578 -2.626 9.826 1.00 0.00 C ATOM 236 C HIS A 14 -2.534 -3.468 8.988 1.00 0.00 C ATOM 237 O HIS A 14 -2.704 -4.649 9.216 1.00 0.00 O ATOM 238 CB HIS A 14 -2.228 -2.238 11.154 1.00 0.00 C ATOM 239 CG HIS A 14 -1.166 -1.810 12.128 1.00 0.00 C ATOM 240 ND1 HIS A 14 -1.336 -0.729 12.979 1.00 0.00 N ATOM 241 CD2 HIS A 14 0.086 -2.306 12.399 1.00 0.00 C ATOM 242 CE1 HIS A 14 -0.215 -0.611 13.714 1.00 0.00 C ATOM 243 NE2 HIS A 14 0.684 -1.548 13.400 1.00 0.00 N ATOM 0 H HIS A 14 -1.914 -0.560 9.414 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.673 -3.215 9.976 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.941 -1.428 10.999 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.787 -3.082 11.557 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.538 -3.156 11.909 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.061 0.149 14.466 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.610 -1.679 13.807 1.00 0.00 H new ATOM 251 N TYR A 15 -3.139 -2.873 8.002 1.00 0.00 N ATOM 252 CA TYR A 15 -4.061 -3.643 7.127 1.00 0.00 C ATOM 253 C TYR A 15 -3.272 -4.230 5.953 1.00 0.00 C ATOM 254 O TYR A 15 -3.823 -4.877 5.084 1.00 0.00 O ATOM 255 CB TYR A 15 -5.097 -2.630 6.634 1.00 0.00 C ATOM 256 CG TYR A 15 -4.399 -1.424 6.051 1.00 0.00 C ATOM 257 CD1 TYR A 15 -3.641 -1.549 4.881 1.00 0.00 C ATOM 258 CD2 TYR A 15 -4.514 -0.179 6.682 1.00 0.00 C ATOM 259 CE1 TYR A 15 -2.997 -0.429 4.341 1.00 0.00 C ATOM 260 CE2 TYR A 15 -3.871 0.941 6.142 1.00 0.00 C ATOM 261 CZ TYR A 15 -3.113 0.816 4.971 1.00 0.00 C ATOM 262 OH TYR A 15 -2.479 1.921 4.439 1.00 0.00 O ATOM 0 H TYR A 15 -3.035 -1.887 7.764 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.539 -4.473 7.648 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.738 -3.089 5.881 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.741 -2.325 7.459 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.553 -2.509 4.395 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.099 -0.083 7.585 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.411 -0.525 3.439 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.959 1.901 6.628 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.009 2.275 3.695 1.00 0.00 H new ATOM 272 N CYS A 16 -1.981 -4.006 5.919 1.00 0.00 N ATOM 273 CA CYS A 16 -1.165 -4.554 4.798 1.00 0.00 C ATOM 274 C CYS A 16 0.313 -4.619 5.199 1.00 0.00 C ATOM 275 O CYS A 16 0.974 -3.608 5.330 1.00 0.00 O ATOM 276 CB CYS A 16 -1.366 -3.569 3.646 1.00 0.00 C ATOM 277 SG CYS A 16 -2.751 -4.117 2.618 1.00 0.00 S ATOM 0 H CYS A 16 -1.462 -3.471 6.615 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.463 -5.567 4.526 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.562 -2.571 4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.458 -3.504 3.047 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.612 -5.379 2.340 1.00 0.00 H new ATOM 282 N ILE A 17 0.835 -5.799 5.391 1.00 0.00 N ATOM 283 CA ILE A 17 2.270 -5.923 5.782 1.00 0.00 C ATOM 284 C ILE A 17 3.169 -5.537 4.604 1.00 0.00 C ATOM 285 O ILE A 17 3.765 -4.477 4.589 1.00 0.00 O ATOM 286 CB ILE A 17 2.459 -7.395 6.146 1.00 0.00 C ATOM 287 CG1 ILE A 17 1.448 -7.785 7.228 1.00 0.00 C ATOM 288 CG2 ILE A 17 3.878 -7.613 6.674 1.00 0.00 C ATOM 289 CD1 ILE A 17 1.690 -6.942 8.481 1.00 0.00 C ATOM 0 H ILE A 17 0.333 -6.681 5.295 1.00 0.00 H new ATOM 0 HA ILE A 17 2.532 -5.266 6.611 1.00 0.00 H new ATOM 0 HB ILE A 17 2.303 -8.011 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.432 -7.631 6.864 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.544 -8.844 7.466 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.012 -8.663 6.934 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.599 -7.334 5.906 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.035 -6.997 7.560 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.970 -7.220 9.251 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.701 -7.118 8.849 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.572 -5.886 8.238 1.00 0.00 H new ATOM 301 N LYS A 18 3.273 -6.381 3.612 1.00 0.00 N ATOM 302 CA LYS A 18 4.135 -6.047 2.440 1.00 0.00 C ATOM 303 C LYS A 18 3.287 -5.446 1.313 1.00 0.00 C ATOM 304 O LYS A 18 3.221 -5.972 0.218 1.00 0.00 O ATOM 305 CB LYS A 18 4.761 -7.375 2.006 1.00 0.00 C ATOM 306 CG LYS A 18 3.677 -8.308 1.463 1.00 0.00 C ATOM 307 CD LYS A 18 4.180 -9.753 1.509 1.00 0.00 C ATOM 308 CE LYS A 18 4.630 -10.094 2.932 1.00 0.00 C ATOM 309 NZ LYS A 18 6.116 -10.183 2.854 1.00 0.00 N ATOM 0 H LYS A 18 2.801 -7.284 3.562 1.00 0.00 H new ATOM 0 HA LYS A 18 4.898 -5.308 2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.517 -7.198 1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.266 -7.843 2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.767 -8.209 2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.423 -8.032 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.390 -10.434 1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.009 -9.883 0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.317 -9.327 3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.195 -11.035 3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.530 -9.876 3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.395 -11.166 2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.461 -9.569 2.088 1.00 0.00 H new ATOM 323 N GLY A 19 2.641 -4.343 1.574 1.00 0.00 N ATOM 324 CA GLY A 19 1.799 -3.701 0.523 1.00 0.00 C ATOM 325 C GLY A 19 1.808 -2.183 0.722 1.00 0.00 C ATOM 326 O GLY A 19 1.792 -1.694 1.834 1.00 0.00 O ATOM 0 H GLY A 19 2.659 -3.857 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.180 -3.951 -0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.778 -4.080 0.577 1.00 0.00 H new ATOM 330 N ARG A 20 1.834 -1.433 -0.347 1.00 0.00 N ATOM 331 CA ARG A 20 1.845 0.053 -0.213 1.00 0.00 C ATOM 332 C ARG A 20 0.437 0.613 -0.433 1.00 0.00 C ATOM 333 O ARG A 20 -0.236 0.266 -1.383 1.00 0.00 O ATOM 334 CB ARG A 20 2.796 0.544 -1.306 1.00 0.00 C ATOM 335 CG ARG A 20 3.770 1.565 -0.715 1.00 0.00 C ATOM 336 CD ARG A 20 5.199 1.213 -1.135 1.00 0.00 C ATOM 337 NE ARG A 20 5.256 1.504 -2.593 1.00 0.00 N ATOM 338 CZ ARG A 20 5.284 0.522 -3.454 1.00 0.00 C ATOM 339 NH1 ARG A 20 6.280 -0.320 -3.450 1.00 0.00 N ATOM 340 NH2 ARG A 20 4.315 0.384 -4.318 1.00 0.00 N ATOM 0 H ARG A 20 1.848 -1.784 -1.305 1.00 0.00 H new ATOM 0 HA ARG A 20 2.164 0.376 0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.346 -0.297 -1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.229 0.996 -2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.515 2.567 -1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.691 1.572 0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.929 1.807 -0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.423 0.166 -0.933 1.00 0.00 H new ATOM 0 HE ARG A 20 5.273 2.470 -2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.037 -0.212 -2.775 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.302 -1.087 -4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.536 1.043 -4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.337 -0.383 -4.990 1.00 0.00 H new ATOM 354 N CYS A 21 -0.014 1.472 0.440 1.00 0.00 N ATOM 355 CA CYS A 21 -1.381 2.048 0.280 1.00 0.00 C ATOM 356 C CYS A 21 -1.298 3.552 -0.003 1.00 0.00 C ATOM 357 O CYS A 21 -0.682 4.299 0.730 1.00 0.00 O ATOM 358 CB CYS A 21 -2.074 1.791 1.618 1.00 0.00 C ATOM 359 SG CYS A 21 -3.598 2.763 1.713 1.00 0.00 S ATOM 0 H CYS A 21 0.503 1.800 1.256 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.922 1.601 -0.554 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.301 0.730 1.723 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.409 2.058 2.440 1.00 0.00 H new ATOM 0 HG CYS A 21 -4.035 3.004 0.512 1.00 0.00 H new ATOM 364 N ARG A 22 -1.920 3.998 -1.060 1.00 0.00 N ATOM 365 CA ARG A 22 -1.886 5.452 -1.391 1.00 0.00 C ATOM 366 C ARG A 22 -3.117 6.152 -0.807 1.00 0.00 C ATOM 367 O ARG A 22 -4.231 5.925 -1.234 1.00 0.00 O ATOM 368 CB ARG A 22 -1.909 5.512 -2.919 1.00 0.00 C ATOM 369 CG ARG A 22 -1.123 6.735 -3.397 1.00 0.00 C ATOM 370 CD ARG A 22 0.114 6.278 -4.173 1.00 0.00 C ATOM 371 NE ARG A 22 -0.400 5.299 -5.170 1.00 0.00 N ATOM 372 CZ ARG A 22 0.167 4.129 -5.286 1.00 0.00 C ATOM 373 NH1 ARG A 22 1.447 4.044 -5.526 1.00 0.00 N ATOM 374 NH2 ARG A 22 -0.547 3.044 -5.160 1.00 0.00 N ATOM 0 H ARG A 22 -2.451 3.418 -1.710 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.009 5.951 -0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.475 4.603 -3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.938 5.566 -3.275 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.752 7.360 -4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.825 7.345 -2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.606 7.118 -4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.849 5.819 -3.511 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.194 5.542 -5.762 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.005 4.892 -5.623 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.889 3.129 -5.616 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.547 3.111 -4.971 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.105 2.129 -5.250 1.00 0.00 H new ATOM 388 N PHE A 23 -2.925 6.995 0.170 1.00 0.00 N ATOM 389 CA PHE A 23 -4.088 7.702 0.783 1.00 0.00 C ATOM 390 C PHE A 23 -4.267 9.087 0.155 1.00 0.00 C ATOM 391 O PHE A 23 -3.448 9.968 0.328 1.00 0.00 O ATOM 392 CB PHE A 23 -3.733 7.830 2.265 1.00 0.00 C ATOM 393 CG PHE A 23 -4.999 7.880 3.085 1.00 0.00 C ATOM 394 CD1 PHE A 23 -5.940 8.893 2.862 1.00 0.00 C ATOM 395 CD2 PHE A 23 -5.234 6.912 4.070 1.00 0.00 C ATOM 396 CE1 PHE A 23 -7.113 8.939 3.624 1.00 0.00 C ATOM 397 CE2 PHE A 23 -6.408 6.958 4.832 1.00 0.00 C ATOM 398 CZ PHE A 23 -7.348 7.971 4.608 1.00 0.00 C ATOM 0 H PHE A 23 -2.016 7.225 0.571 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.023 7.164 0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.119 6.985 2.577 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.144 8.732 2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.760 9.639 2.102 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.509 6.130 4.242 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.837 9.722 3.453 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.588 6.212 5.592 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.254 8.006 5.194 1.00 0.00 H new ATOM 408 N VAL A 24 -5.334 9.289 -0.569 1.00 0.00 N ATOM 409 CA VAL A 24 -5.564 10.620 -1.202 1.00 0.00 C ATOM 410 C VAL A 24 -6.283 11.549 -0.220 1.00 0.00 C ATOM 411 O VAL A 24 -7.410 11.303 0.172 1.00 0.00 O ATOM 412 CB VAL A 24 -6.446 10.337 -2.416 1.00 0.00 C ATOM 413 CG1 VAL A 24 -6.635 11.626 -3.221 1.00 0.00 C ATOM 414 CG2 VAL A 24 -5.776 9.282 -3.298 1.00 0.00 C ATOM 0 H VAL A 24 -6.056 8.591 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.633 11.111 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.416 9.970 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.265 11.425 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.111 12.380 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.664 11.992 -3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.405 9.080 -4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.806 9.650 -3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.639 8.364 -2.727 1.00 0.00 H new ATOM 424 N VAL A 25 -5.635 12.613 0.181 1.00 0.00 N ATOM 425 CA VAL A 25 -6.269 13.565 1.141 1.00 0.00 C ATOM 426 C VAL A 25 -7.360 14.382 0.444 1.00 0.00 C ATOM 427 O VAL A 25 -8.515 14.323 0.814 1.00 0.00 O ATOM 428 CB VAL A 25 -5.131 14.475 1.603 1.00 0.00 C ATOM 429 CG1 VAL A 25 -5.672 15.501 2.601 1.00 0.00 C ATOM 430 CG2 VAL A 25 -4.047 13.632 2.277 1.00 0.00 C ATOM 0 H VAL A 25 -4.692 12.864 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.747 13.050 1.975 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.707 14.993 0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.861 16.150 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.446 16.101 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.095 14.983 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.235 14.280 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.471 13.115 3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.662 12.900 1.567 1.00 0.00 H new ATOM 440 N ALA A 26 -7.003 15.140 -0.562 1.00 0.00 N ATOM 441 CA ALA A 26 -8.027 15.956 -1.283 1.00 0.00 C ATOM 442 C ALA A 26 -9.303 15.134 -1.459 1.00 0.00 C ATOM 443 O ALA A 26 -10.328 15.423 -0.874 1.00 0.00 O ATOM 444 CB ALA A 26 -7.399 16.276 -2.640 1.00 0.00 C ATOM 0 H ALA A 26 -6.050 15.229 -0.914 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.297 16.863 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.093 16.875 -3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.474 16.834 -2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.181 15.348 -3.168 1.00 0.00 H new ATOM 450 N GLU A 27 -9.240 14.095 -2.243 1.00 0.00 N ATOM 451 CA GLU A 27 -10.437 13.234 -2.435 1.00 0.00 C ATOM 452 C GLU A 27 -10.311 12.003 -1.536 1.00 0.00 C ATOM 453 O GLU A 27 -9.694 11.024 -1.902 1.00 0.00 O ATOM 454 CB GLU A 27 -10.414 12.834 -3.911 1.00 0.00 C ATOM 455 CG GLU A 27 -11.580 11.885 -4.199 1.00 0.00 C ATOM 456 CD GLU A 27 -12.891 12.674 -4.193 1.00 0.00 C ATOM 457 OE1 GLU A 27 -13.129 13.397 -5.146 1.00 0.00 O ATOM 458 OE2 GLU A 27 -13.635 12.540 -3.236 1.00 0.00 O ATOM 0 H GLU A 27 -8.410 13.805 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.369 13.737 -2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.488 13.721 -4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.468 12.350 -4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.439 11.400 -5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.615 11.095 -3.448 1.00 0.00 H new ATOM 465 N GLN A 28 -10.872 12.062 -0.355 1.00 0.00 N ATOM 466 CA GLN A 28 -10.778 10.911 0.596 1.00 0.00 C ATOM 467 C GLN A 28 -10.793 9.575 -0.151 1.00 0.00 C ATOM 468 O GLN A 28 -11.837 9.013 -0.416 1.00 0.00 O ATOM 469 CB GLN A 28 -12.011 11.038 1.491 1.00 0.00 C ATOM 470 CG GLN A 28 -11.638 10.675 2.929 1.00 0.00 C ATOM 471 CD GLN A 28 -12.302 11.657 3.895 1.00 0.00 C ATOM 472 OE1 GLN A 28 -13.125 12.457 3.497 1.00 0.00 O ATOM 473 NE2 GLN A 28 -11.977 11.630 5.159 1.00 0.00 N ATOM 0 H GLN A 28 -11.396 12.865 -0.005 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.849 10.933 1.165 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.399 12.056 1.451 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.803 10.380 1.133 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.958 9.657 3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.555 10.703 3.053 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.286 10.958 5.494 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.414 12.280 5.812 1.00 0.00 H new ATOM 482 N THR A 29 -9.641 9.062 -0.491 1.00 0.00 N ATOM 483 CA THR A 29 -9.596 7.759 -1.220 1.00 0.00 C ATOM 484 C THR A 29 -8.389 6.931 -0.764 1.00 0.00 C ATOM 485 O THR A 29 -7.348 6.951 -1.389 1.00 0.00 O ATOM 486 CB THR A 29 -9.465 8.132 -2.698 1.00 0.00 C ATOM 487 OG1 THR A 29 -10.657 8.772 -3.130 1.00 0.00 O ATOM 488 CG2 THR A 29 -9.232 6.868 -3.527 1.00 0.00 C ATOM 0 H THR A 29 -8.733 9.485 -0.297 1.00 0.00 H new ATOM 0 HA THR A 29 -10.482 7.153 -1.030 1.00 0.00 H new ATOM 0 HB THR A 29 -8.621 8.809 -2.829 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.574 9.013 -4.076 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.139 7.135 -4.580 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.317 6.378 -3.195 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.074 6.188 -3.398 1.00 0.00 H new ATOM 496 N PRO A 30 -8.579 6.226 0.318 1.00 0.00 N ATOM 497 CA PRO A 30 -7.502 5.373 0.875 1.00 0.00 C ATOM 498 C PRO A 30 -7.370 4.078 0.063 1.00 0.00 C ATOM 499 O PRO A 30 -7.994 3.080 0.365 1.00 0.00 O ATOM 500 CB PRO A 30 -7.982 5.071 2.291 1.00 0.00 C ATOM 501 CG PRO A 30 -9.472 5.210 2.241 1.00 0.00 C ATOM 502 CD PRO A 30 -9.806 6.164 1.120 1.00 0.00 C ATOM 0 HA PRO A 30 -6.523 5.851 0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.691 4.067 2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.546 5.764 3.010 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -9.941 4.241 2.071 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.853 5.587 3.190 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.649 5.805 0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.081 7.147 1.503 1.00 0.00 H new ATOM 510 N SER A 31 -6.562 4.084 -0.964 1.00 0.00 N ATOM 511 CA SER A 31 -6.393 2.850 -1.786 1.00 0.00 C ATOM 512 C SER A 31 -5.256 1.996 -1.223 1.00 0.00 C ATOM 513 O SER A 31 -4.179 2.485 -0.947 1.00 0.00 O ATOM 514 CB SER A 31 -6.044 3.349 -3.187 1.00 0.00 C ATOM 515 OG SER A 31 -4.856 4.125 -3.127 1.00 0.00 O ATOM 0 H SER A 31 -6.013 4.888 -1.269 1.00 0.00 H new ATOM 0 HA SER A 31 -7.289 2.229 -1.788 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.907 2.505 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.863 3.947 -3.587 1.00 0.00 H new ATOM 0 HG SER A 31 -4.363 3.905 -2.309 1.00 0.00 H new ATOM 521 N CYS A 32 -5.486 0.724 -1.044 1.00 0.00 N ATOM 522 CA CYS A 32 -4.414 -0.155 -0.491 1.00 0.00 C ATOM 523 C CYS A 32 -3.961 -1.176 -1.537 1.00 0.00 C ATOM 524 O CYS A 32 -4.671 -2.109 -1.858 1.00 0.00 O ATOM 525 CB CYS A 32 -5.060 -0.862 0.701 1.00 0.00 C ATOM 526 SG CYS A 32 -6.550 -1.731 0.150 1.00 0.00 S ATOM 0 H CYS A 32 -6.367 0.255 -1.256 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.529 0.412 -0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.357 -1.568 1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.314 -0.137 1.474 1.00 0.00 H new ATOM 0 HG CYS A 32 -6.311 -2.330 -0.979 1.00 0.00 H new ATOM 531 N VAL A 33 -2.779 -1.010 -2.065 1.00 0.00 N ATOM 532 CA VAL A 33 -2.274 -1.974 -3.084 1.00 0.00 C ATOM 533 C VAL A 33 -1.140 -2.814 -2.492 1.00 0.00 C ATOM 534 O VAL A 33 -0.209 -2.296 -1.907 1.00 0.00 O ATOM 535 CB VAL A 33 -1.759 -1.106 -4.232 1.00 0.00 C ATOM 536 CG1 VAL A 33 -1.140 -2.000 -5.308 1.00 0.00 C ATOM 537 CG2 VAL A 33 -2.925 -0.317 -4.834 1.00 0.00 C ATOM 0 H VAL A 33 -2.141 -0.248 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.045 -2.668 -3.417 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.005 -0.414 -3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.772 -1.382 -6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.312 -2.565 -4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.894 -2.691 -5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.560 0.303 -5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.677 -1.010 -5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.368 0.319 -4.068 1.00 0.00 H new ATOM 547 N CYS A 34 -1.214 -4.108 -2.636 1.00 0.00 N ATOM 548 CA CYS A 34 -0.145 -4.985 -2.075 1.00 0.00 C ATOM 549 C CYS A 34 0.907 -5.288 -3.147 1.00 0.00 C ATOM 550 O CYS A 34 0.669 -5.121 -4.326 1.00 0.00 O ATOM 551 CB CYS A 34 -0.867 -6.267 -1.657 1.00 0.00 C ATOM 552 SG CYS A 34 -2.364 -5.846 -0.728 1.00 0.00 S ATOM 0 H CYS A 34 -1.968 -4.597 -3.118 1.00 0.00 H new ATOM 0 HA CYS A 34 0.377 -4.518 -1.240 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.127 -6.854 -2.538 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.209 -6.884 -1.045 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.127 -5.949 0.546 1.00 0.00 H new ATOM 557 N ASP A 35 2.068 -5.733 -2.747 1.00 0.00 N ATOM 558 CA ASP A 35 3.126 -6.046 -3.750 1.00 0.00 C ATOM 559 C ASP A 35 2.606 -7.074 -4.759 1.00 0.00 C ATOM 560 O ASP A 35 2.273 -8.188 -4.409 1.00 0.00 O ATOM 561 CB ASP A 35 4.284 -6.627 -2.937 1.00 0.00 C ATOM 562 CG ASP A 35 5.223 -5.498 -2.508 1.00 0.00 C ATOM 563 OD1 ASP A 35 4.896 -4.351 -2.768 1.00 0.00 O ATOM 564 OD2 ASP A 35 6.252 -5.798 -1.927 1.00 0.00 O ATOM 0 H ASP A 35 2.329 -5.893 -1.774 1.00 0.00 H new ATOM 0 HA ASP A 35 3.431 -5.168 -4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.901 -7.149 -2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.828 -7.361 -3.532 1.00 0.00 H new ATOM 569 N GLU A 36 2.533 -6.706 -6.009 1.00 0.00 N ATOM 570 CA GLU A 36 2.033 -7.662 -7.039 1.00 0.00 C ATOM 571 C GLU A 36 2.649 -9.047 -6.819 1.00 0.00 C ATOM 572 O GLU A 36 1.999 -10.060 -6.989 1.00 0.00 O ATOM 573 CB GLU A 36 2.490 -7.077 -8.377 1.00 0.00 C ATOM 574 CG GLU A 36 1.454 -6.066 -8.874 1.00 0.00 C ATOM 575 CD GLU A 36 1.472 -4.830 -7.973 1.00 0.00 C ATOM 576 OE1 GLU A 36 0.939 -4.910 -6.880 1.00 0.00 O ATOM 577 OE2 GLU A 36 2.018 -3.823 -8.394 1.00 0.00 O ATOM 0 H GLU A 36 2.797 -5.786 -6.362 1.00 0.00 H new ATOM 0 HA GLU A 36 0.951 -7.786 -6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.460 -6.593 -8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.617 -7.874 -9.110 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.673 -5.782 -9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.461 -6.516 -8.872 1.00 0.00 H new ATOM 584 N GLY A 37 3.897 -9.099 -6.439 1.00 0.00 N ATOM 585 CA GLY A 37 4.551 -10.418 -6.208 1.00 0.00 C ATOM 586 C GLY A 37 4.349 -10.845 -4.752 1.00 0.00 C ATOM 587 O GLY A 37 5.268 -11.284 -4.091 1.00 0.00 O ATOM 0 H GLY A 37 4.491 -8.286 -6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.129 -11.167 -6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.615 -10.352 -6.434 1.00 0.00 H new ATOM 591 N TYR A 38 3.152 -10.719 -4.248 1.00 0.00 N ATOM 592 CA TYR A 38 2.894 -11.118 -2.833 1.00 0.00 C ATOM 593 C TYR A 38 1.720 -12.106 -2.764 1.00 0.00 C ATOM 594 O TYR A 38 1.033 -12.338 -3.739 1.00 0.00 O ATOM 595 CB TYR A 38 2.577 -9.801 -2.100 1.00 0.00 C ATOM 596 CG TYR A 38 1.083 -9.550 -2.052 1.00 0.00 C ATOM 597 CD1 TYR A 38 0.326 -9.567 -3.230 1.00 0.00 C ATOM 598 CD2 TYR A 38 0.458 -9.301 -0.824 1.00 0.00 C ATOM 599 CE1 TYR A 38 -1.054 -9.335 -3.179 1.00 0.00 C ATOM 600 CE2 TYR A 38 -0.921 -9.070 -0.773 1.00 0.00 C ATOM 601 CZ TYR A 38 -1.677 -9.086 -1.951 1.00 0.00 C ATOM 602 OH TYR A 38 -3.038 -8.859 -1.901 1.00 0.00 O ATOM 0 H TYR A 38 2.342 -10.358 -4.753 1.00 0.00 H new ATOM 0 HA TYR A 38 3.743 -11.628 -2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.975 -9.840 -1.086 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.072 -8.972 -2.605 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.807 -9.759 -4.178 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.041 -9.287 0.085 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.638 -9.348 -4.088 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.402 -8.879 0.175 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.207 -7.956 -1.559 1.00 0.00 H new ATOM 612 N ILE A 39 1.487 -12.685 -1.617 1.00 0.00 N ATOM 613 CA ILE A 39 0.361 -13.653 -1.485 1.00 0.00 C ATOM 614 C ILE A 39 -0.232 -13.580 -0.075 1.00 0.00 C ATOM 615 O ILE A 39 0.452 -13.269 0.880 1.00 0.00 O ATOM 616 CB ILE A 39 0.986 -15.026 -1.734 1.00 0.00 C ATOM 617 CG1 ILE A 39 1.318 -15.171 -3.220 1.00 0.00 C ATOM 618 CG2 ILE A 39 -0.003 -16.120 -1.326 1.00 0.00 C ATOM 619 CD1 ILE A 39 2.822 -14.979 -3.426 1.00 0.00 C ATOM 0 H ILE A 39 2.028 -12.529 -0.766 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.449 -13.443 -2.183 1.00 0.00 H new ATOM 0 HB ILE A 39 1.898 -15.122 -1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.013 -16.155 -3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.763 -14.435 -3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.443 -17.099 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.243 -16.017 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.915 -16.024 -1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.060 -15.082 -4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.112 -13.986 -3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.366 -15.732 -2.857 1.00 0.00 H new ATOM 631 N GLY A 40 -1.497 -13.865 0.062 1.00 0.00 N ATOM 632 CA GLY A 40 -2.130 -13.810 1.410 1.00 0.00 C ATOM 633 C GLY A 40 -3.151 -12.673 1.451 1.00 0.00 C ATOM 634 O GLY A 40 -3.199 -11.836 0.572 1.00 0.00 O ATOM 0 H GLY A 40 -2.120 -14.133 -0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.618 -14.759 1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.368 -13.656 2.175 1.00 0.00 H new ATOM 638 N ALA A 41 -3.967 -12.636 2.468 1.00 0.00 N ATOM 639 CA ALA A 41 -4.986 -11.551 2.569 1.00 0.00 C ATOM 640 C ALA A 41 -4.385 -10.333 3.274 1.00 0.00 C ATOM 641 O ALA A 41 -4.666 -9.202 2.928 1.00 0.00 O ATOM 642 CB ALA A 41 -6.120 -12.147 3.401 1.00 0.00 C ATOM 0 H ALA A 41 -3.973 -13.310 3.234 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.333 -11.216 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.911 -11.407 3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.519 -13.026 2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.740 -12.433 4.382 1.00 0.00 H new ATOM 648 N ARG A 42 -3.559 -10.554 4.260 1.00 0.00 N ATOM 649 CA ARG A 42 -2.938 -9.408 4.984 1.00 0.00 C ATOM 650 C ARG A 42 -1.546 -9.122 4.417 1.00 0.00 C ATOM 651 O ARG A 42 -0.729 -8.477 5.045 1.00 0.00 O ATOM 652 CB ARG A 42 -2.842 -9.863 6.441 1.00 0.00 C ATOM 653 CG ARG A 42 -4.225 -10.294 6.934 1.00 0.00 C ATOM 654 CD ARG A 42 -4.080 -11.122 8.212 1.00 0.00 C ATOM 655 NE ARG A 42 -5.402 -11.783 8.394 1.00 0.00 N ATOM 656 CZ ARG A 42 -5.812 -12.105 9.590 1.00 0.00 C ATOM 657 NH1 ARG A 42 -4.944 -12.391 10.522 1.00 0.00 N ATOM 658 NH2 ARG A 42 -7.089 -12.141 9.855 1.00 0.00 N ATOM 0 H ARG A 42 -3.287 -11.478 4.596 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.518 -8.491 4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.139 -10.691 6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.459 -9.053 7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.843 -9.417 7.125 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.730 -10.879 6.165 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.281 -11.857 8.118 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.833 -10.491 9.066 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.987 -11.984 7.583 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.946 -12.363 10.315 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.264 -12.643 11.457 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.767 -11.917 9.127 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.409 -12.393 10.790 1.00 0.00 H new ATOM 672 N CYS A 43 -1.270 -9.596 3.234 1.00 0.00 N ATOM 673 CA CYS A 43 0.069 -9.351 2.624 1.00 0.00 C ATOM 674 C CYS A 43 1.161 -9.973 3.496 1.00 0.00 C ATOM 675 O CYS A 43 2.206 -9.390 3.710 1.00 0.00 O ATOM 676 CB CYS A 43 0.221 -7.828 2.589 1.00 0.00 C ATOM 677 SG CYS A 43 -1.305 -7.075 1.966 1.00 0.00 S ATOM 0 H CYS A 43 -1.914 -10.143 2.662 1.00 0.00 H new ATOM 0 HA CYS A 43 0.157 -9.791 1.631 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.442 -7.452 3.588 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.061 -7.551 1.952 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.377 -7.242 0.679 1.00 0.00 H new ATOM 682 N GLU A 44 0.922 -11.149 4.007 1.00 0.00 N ATOM 683 CA GLU A 44 1.940 -11.809 4.874 1.00 0.00 C ATOM 684 C GLU A 44 2.828 -12.744 4.049 1.00 0.00 C ATOM 685 O GLU A 44 4.015 -12.856 4.285 1.00 0.00 O ATOM 686 CB GLU A 44 1.126 -12.609 5.891 1.00 0.00 C ATOM 687 CG GLU A 44 1.694 -12.381 7.292 1.00 0.00 C ATOM 688 CD GLU A 44 1.580 -13.671 8.104 1.00 0.00 C ATOM 689 OE1 GLU A 44 2.166 -14.660 7.694 1.00 0.00 O ATOM 690 OE2 GLU A 44 0.908 -13.651 9.123 1.00 0.00 O ATOM 0 H GLU A 44 0.065 -11.683 3.862 1.00 0.00 H new ATOM 0 HA GLU A 44 2.603 -11.087 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.080 -12.303 5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.156 -13.670 5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.737 -12.070 7.227 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.152 -11.577 7.789 1.00 0.00 H new ATOM 697 N ARG A 45 2.265 -13.419 3.084 1.00 0.00 N ATOM 698 CA ARG A 45 3.083 -14.349 2.253 1.00 0.00 C ATOM 699 C ARG A 45 3.752 -13.586 1.106 1.00 0.00 C ATOM 700 O ARG A 45 3.379 -12.476 0.785 1.00 0.00 O ATOM 701 CB ARG A 45 2.089 -15.375 1.710 1.00 0.00 C ATOM 702 CG ARG A 45 2.330 -16.725 2.390 1.00 0.00 C ATOM 703 CD ARG A 45 3.351 -17.528 1.581 1.00 0.00 C ATOM 704 NE ARG A 45 4.525 -17.676 2.485 1.00 0.00 N ATOM 705 CZ ARG A 45 4.651 -18.744 3.224 1.00 0.00 C ATOM 706 NH1 ARG A 45 3.597 -19.448 3.538 1.00 0.00 N ATOM 707 NH2 ARG A 45 5.829 -19.109 3.649 1.00 0.00 N ATOM 0 H ARG A 45 1.277 -13.367 2.835 1.00 0.00 H new ATOM 0 HA ARG A 45 3.881 -14.821 2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.068 -15.040 1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.204 -15.473 0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.694 -16.573 3.406 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.394 -17.278 2.466 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.950 -18.499 1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.623 -17.009 0.662 1.00 0.00 H new ATOM 0 HE ARG A 45 5.232 -16.942 2.527 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.676 -19.163 3.206 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.695 -20.283 4.116 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.653 -18.559 3.404 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.927 -19.944 4.227 1.00 0.00 H new ATOM 721 N VAL A 46 4.739 -14.175 0.489 1.00 0.00 N ATOM 722 CA VAL A 46 5.434 -13.485 -0.634 1.00 0.00 C ATOM 723 C VAL A 46 5.794 -14.490 -1.731 1.00 0.00 C ATOM 724 O VAL A 46 5.896 -15.676 -1.489 1.00 0.00 O ATOM 725 CB VAL A 46 6.699 -12.893 -0.012 1.00 0.00 C ATOM 726 CG1 VAL A 46 7.602 -14.026 0.484 1.00 0.00 C ATOM 727 CG2 VAL A 46 7.447 -12.069 -1.062 1.00 0.00 C ATOM 0 H VAL A 46 5.094 -15.104 0.714 1.00 0.00 H new ATOM 0 HA VAL A 46 4.811 -12.720 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 46 6.425 -12.252 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.504 -13.605 0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.070 -14.614 1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.875 -14.667 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.349 -11.647 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.721 -12.710 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.805 -11.262 -1.416 1.00 0.00 H new ATOM 737 N ASP A 47 5.985 -14.026 -2.935 1.00 0.00 N ATOM 738 CA ASP A 47 6.337 -14.957 -4.046 1.00 0.00 C ATOM 739 C ASP A 47 7.852 -14.970 -4.264 1.00 0.00 C ATOM 740 O ASP A 47 8.329 -15.129 -5.369 1.00 0.00 O ATOM 741 CB ASP A 47 5.622 -14.394 -5.276 1.00 0.00 C ATOM 742 CG ASP A 47 5.012 -15.542 -6.082 1.00 0.00 C ATOM 743 OD1 ASP A 47 4.394 -16.402 -5.476 1.00 0.00 O ATOM 744 OD2 ASP A 47 5.174 -15.541 -7.291 1.00 0.00 O ATOM 0 H ASP A 47 5.913 -13.043 -3.198 1.00 0.00 H new ATOM 0 HA ASP A 47 6.038 -15.984 -3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.842 -13.697 -4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.325 -13.835 -5.894 1.00 0.00 H new ATOM 749 N LEU A 48 8.612 -14.803 -3.216 1.00 0.00 N ATOM 750 CA LEU A 48 10.096 -14.807 -3.364 1.00 0.00 C ATOM 751 C LEU A 48 10.748 -15.473 -2.148 1.00 0.00 C ATOM 752 O LEU A 48 10.617 -15.011 -1.032 1.00 0.00 O ATOM 753 CB LEU A 48 10.490 -13.332 -3.444 1.00 0.00 C ATOM 754 CG LEU A 48 10.986 -13.011 -4.855 1.00 0.00 C ATOM 755 CD1 LEU A 48 10.178 -11.846 -5.429 1.00 0.00 C ATOM 756 CD2 LEU A 48 12.466 -12.625 -4.799 1.00 0.00 C ATOM 0 H LEU A 48 8.270 -14.664 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 48 10.422 -15.364 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.635 -12.703 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.270 -13.113 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 48 10.861 -13.887 -5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.532 -11.618 -6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.124 -12.119 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.302 -10.969 -4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.821 -12.396 -5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.590 -11.749 -4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.043 -13.455 -4.391 1.00 0.00 H new ATOM 768 N PHE A 49 11.448 -16.553 -2.358 1.00 0.00 N ATOM 769 CA PHE A 49 12.108 -17.247 -1.214 1.00 0.00 C ATOM 770 C PHE A 49 13.340 -16.461 -0.760 1.00 0.00 C ATOM 771 O PHE A 49 13.360 -15.880 0.307 1.00 0.00 O ATOM 772 CB PHE A 49 12.516 -18.615 -1.761 1.00 0.00 C ATOM 773 CG PHE A 49 11.744 -19.696 -1.042 1.00 0.00 C ATOM 774 CD1 PHE A 49 12.170 -20.142 0.214 1.00 0.00 C ATOM 775 CD2 PHE A 49 10.602 -20.250 -1.632 1.00 0.00 C ATOM 776 CE1 PHE A 49 11.455 -21.145 0.880 1.00 0.00 C ATOM 777 CE2 PHE A 49 9.887 -21.253 -0.966 1.00 0.00 C ATOM 778 CZ PHE A 49 10.313 -21.700 0.290 1.00 0.00 C ATOM 0 H PHE A 49 11.592 -16.986 -3.270 1.00 0.00 H new ATOM 0 HA PHE A 49 11.450 -17.335 -0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 49 12.319 -18.664 -2.832 1.00 0.00 H new ATOM 0 HB3 PHE A 49 13.587 -18.768 -1.627 1.00 0.00 H new ATOM 0 HD1 PHE A 49 13.050 -19.713 0.670 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.272 -19.904 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 49 11.784 -21.490 1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.007 -21.682 -1.422 1.00 0.00 H new ATOM 0 HZ PHE A 49 9.761 -22.473 0.804 1.00 0.00 H new ATOM 788 N TYR A 50 14.369 -16.437 -1.562 1.00 0.00 N ATOM 789 CA TYR A 50 15.598 -15.687 -1.175 1.00 0.00 C ATOM 790 C TYR A 50 15.442 -14.203 -1.520 1.00 0.00 C ATOM 791 O TYR A 50 16.023 -13.779 -2.505 1.00 0.00 O ATOM 792 CB TYR A 50 16.722 -16.314 -2.001 1.00 0.00 C ATOM 793 CG TYR A 50 18.019 -15.598 -1.713 1.00 0.00 C ATOM 794 CD1 TYR A 50 18.407 -15.359 -0.389 1.00 0.00 C ATOM 795 CD2 TYR A 50 18.833 -15.172 -2.769 1.00 0.00 C ATOM 796 CE1 TYR A 50 19.610 -14.695 -0.122 1.00 0.00 C ATOM 797 CE2 TYR A 50 20.036 -14.507 -2.502 1.00 0.00 C ATOM 798 CZ TYR A 50 20.424 -14.269 -1.177 1.00 0.00 C ATOM 799 OH TYR A 50 21.610 -13.613 -0.914 1.00 0.00 O ATOM 800 OXT TYR A 50 14.746 -13.516 -0.791 1.00 0.00 O ATOM 0 H TYR A 50 14.412 -16.904 -2.468 1.00 0.00 H new ATOM 0 HA TYR A 50 15.798 -15.745 -0.105 1.00 0.00 H new ATOM 0 HB2 TYR A 50 16.818 -17.373 -1.760 1.00 0.00 H new ATOM 0 HB3 TYR A 50 16.487 -16.249 -3.063 1.00 0.00 H new ATOM 0 HD1 TYR A 50 17.778 -15.687 0.426 1.00 0.00 H new ATOM 0 HD2 TYR A 50 18.533 -15.356 -3.790 1.00 0.00 H new ATOM 0 HE1 TYR A 50 19.910 -14.511 0.899 1.00 0.00 H new ATOM 0 HE2 TYR A 50 20.664 -14.178 -3.317 1.00 0.00 H new ATOM 0 HH TYR A 50 22.053 -13.388 -1.758 1.00 0.00 H new TER 810 TYR A 50