USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot 128:sc= -2.1 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -6.62! C(o=-17!,f=-19!) USER MOD Set 1.3: A 34 CYS SG : rot 170:sc= -4.4 USER MOD Set 1.4: A 37 CYS SG : rot -38:sc= -3.88! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.842 USER MOD Single : A 17 ASN : amide:sc= -0.143 K(o=-0.14,f=-1!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.6!) USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= -0.348 (180deg=-0.586) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -12.257 16.849 0.499 1.00 0.00 N ATOM 2 CA ALA A 2 -10.889 17.403 0.664 1.00 0.00 C ATOM 3 C ALA A 2 -10.072 17.240 -0.613 1.00 0.00 C ATOM 4 O ALA A 2 -9.878 16.127 -1.099 1.00 0.00 O ATOM 5 CB ALA A 2 -10.183 16.727 1.830 1.00 0.00 C ATOM 0 HA ALA A 2 -10.980 18.469 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.181 17.143 1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.749 16.897 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.113 15.656 1.641 1.00 0.00 H new ATOM 10 N SER A 3 -9.599 18.358 -1.153 1.00 0.00 N ATOM 11 CA SER A 3 -8.803 18.338 -2.376 1.00 0.00 C ATOM 12 C SER A 3 -7.316 18.442 -2.058 1.00 0.00 C ATOM 13 O SER A 3 -6.542 19.004 -2.835 1.00 0.00 O ATOM 14 CB SER A 3 -9.225 19.482 -3.302 1.00 0.00 C ATOM 15 OG SER A 3 -9.593 18.994 -4.579 1.00 0.00 O ATOM 0 H SER A 3 -9.752 19.288 -0.764 1.00 0.00 H new ATOM 0 HA SER A 3 -8.980 17.389 -2.882 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.063 20.022 -2.860 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.405 20.193 -3.403 1.00 0.00 H new ATOM 0 HG SER A 3 -9.860 19.744 -5.151 1.00 0.00 H new ATOM 21 N THR A 4 -6.919 17.899 -0.911 1.00 0.00 N ATOM 22 CA THR A 4 -5.523 17.930 -0.492 1.00 0.00 C ATOM 23 C THR A 4 -4.851 16.584 -0.740 1.00 0.00 C ATOM 24 O THR A 4 -3.671 16.522 -1.084 1.00 0.00 O ATOM 25 CB THR A 4 -5.424 18.298 0.990 1.00 0.00 C ATOM 26 OG1 THR A 4 -6.580 17.877 1.690 1.00 0.00 O ATOM 27 CG2 THR A 4 -5.257 19.783 1.228 1.00 0.00 C ATOM 0 H THR A 4 -7.545 17.432 -0.255 1.00 0.00 H new ATOM 0 HA THR A 4 -5.007 18.687 -1.083 1.00 0.00 H new ATOM 0 HB THR A 4 -4.534 17.786 1.356 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.496 18.120 2.636 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.193 19.975 2.299 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.344 20.129 0.742 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.113 20.316 0.814 1.00 0.00 H new ATOM 35 N SER A 5 -5.612 15.508 -0.567 1.00 0.00 N ATOM 36 CA SER A 5 -5.091 14.162 -0.773 1.00 0.00 C ATOM 37 C SER A 5 -5.809 13.474 -1.930 1.00 0.00 C ATOM 38 O SER A 5 -6.888 12.906 -1.756 1.00 0.00 O ATOM 39 CB SER A 5 -5.241 13.334 0.505 1.00 0.00 C ATOM 40 OG SER A 5 -3.976 12.999 1.047 1.00 0.00 O ATOM 0 H SER A 5 -6.592 15.542 -0.285 1.00 0.00 H new ATOM 0 HA SER A 5 -4.033 14.241 -1.022 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.818 13.895 1.240 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.800 12.424 0.289 1.00 0.00 H new ATOM 0 HG SER A 5 -4.099 12.472 1.864 1.00 0.00 H new ATOM 46 N ARG A 6 -5.204 13.526 -3.113 1.00 0.00 N ATOM 47 CA ARG A 6 -5.785 12.905 -4.298 1.00 0.00 C ATOM 48 C ARG A 6 -5.975 11.408 -4.087 1.00 0.00 C ATOM 49 O ARG A 6 -6.970 10.829 -4.525 1.00 0.00 O ATOM 50 CB ARG A 6 -4.897 13.153 -5.518 1.00 0.00 C ATOM 51 CG ARG A 6 -5.636 13.043 -6.841 1.00 0.00 C ATOM 52 CD ARG A 6 -4.697 13.225 -8.022 1.00 0.00 C ATOM 53 NE ARG A 6 -3.515 12.373 -7.915 1.00 0.00 N ATOM 54 CZ ARG A 6 -3.512 11.072 -8.191 1.00 0.00 C ATOM 55 NH1 ARG A 6 -4.625 10.468 -8.590 1.00 0.00 N ATOM 56 NH2 ARG A 6 -2.393 10.370 -8.066 1.00 0.00 N ATOM 0 H ARG A 6 -4.311 13.992 -3.276 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.762 13.356 -4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.455 14.146 -5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.075 12.437 -5.510 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.121 12.069 -6.908 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.424 13.795 -6.882 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.227 12.995 -8.946 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.388 14.269 -8.083 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.641 12.801 -7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.489 11.002 -8.686 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.616 9.470 -8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.535 10.828 -7.758 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.391 9.372 -8.278 1.00 0.00 H new ATOM 70 N LEU A 7 -5.014 10.785 -3.411 1.00 0.00 N ATOM 71 CA LEU A 7 -5.075 9.354 -3.137 1.00 0.00 C ATOM 72 C LEU A 7 -5.771 9.088 -1.808 1.00 0.00 C ATOM 73 O LEU A 7 -5.591 9.831 -0.841 1.00 0.00 O ATOM 74 CB LEU A 7 -3.665 8.757 -3.122 1.00 0.00 C ATOM 75 CG LEU A 7 -3.224 8.102 -4.431 1.00 0.00 C ATOM 76 CD1 LEU A 7 -3.394 9.065 -5.595 1.00 0.00 C ATOM 77 CD2 LEU A 7 -1.780 7.634 -4.331 1.00 0.00 C ATOM 0 H LEU A 7 -4.184 11.249 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.653 8.878 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.956 9.546 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.610 8.015 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.857 7.233 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.075 8.580 -6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.442 9.352 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.787 9.954 -5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.482 7.170 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.134 8.488 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.688 6.908 -3.523 1.00 0.00 H new ATOM 89 N ASP A 8 -6.569 8.026 -1.762 1.00 0.00 N ATOM 90 CA ASP A 8 -7.291 7.667 -0.547 1.00 0.00 C ATOM 91 C ASP A 8 -7.298 6.157 -0.340 1.00 0.00 C ATOM 92 O ASP A 8 -6.862 5.663 0.700 1.00 0.00 O ATOM 93 CB ASP A 8 -8.727 8.193 -0.609 1.00 0.00 C ATOM 94 CG ASP A 8 -9.170 8.824 0.696 1.00 0.00 C ATOM 95 OD1 ASP A 8 -9.027 8.168 1.751 1.00 0.00 O ATOM 96 OD2 ASP A 8 -9.658 9.973 0.666 1.00 0.00 O ATOM 0 H ASP A 8 -6.732 7.400 -2.551 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.778 8.126 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.807 8.928 -1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.400 7.373 -0.860 1.00 0.00 H new ATOM 101 N ALA A 9 -7.798 5.427 -1.331 1.00 0.00 N ATOM 102 CA ALA A 9 -7.860 3.973 -1.249 1.00 0.00 C ATOM 103 C ALA A 9 -7.840 3.334 -2.634 1.00 0.00 C ATOM 104 O ALA A 9 -7.821 4.028 -3.650 1.00 0.00 O ATOM 105 CB ALA A 9 -9.105 3.542 -0.486 1.00 0.00 C ATOM 0 H ALA A 9 -8.165 5.818 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.976 3.630 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.140 2.454 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.075 3.955 0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.993 3.908 -1.002 1.00 0.00 H new ATOM 111 N LEU A 10 -7.854 2.004 -2.660 1.00 0.00 N ATOM 112 CA LEU A 10 -7.845 1.246 -3.910 1.00 0.00 C ATOM 113 C LEU A 10 -7.585 -0.243 -3.659 1.00 0.00 C ATOM 114 O LEU A 10 -8.263 -1.090 -4.242 1.00 0.00 O ATOM 115 CB LEU A 10 -6.819 1.805 -4.909 1.00 0.00 C ATOM 116 CG LEU A 10 -5.536 2.391 -4.306 1.00 0.00 C ATOM 117 CD1 LEU A 10 -4.328 1.555 -4.710 1.00 0.00 C ATOM 118 CD2 LEU A 10 -5.346 3.837 -4.746 1.00 0.00 C ATOM 0 H LEU A 10 -7.872 1.423 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.836 1.353 -4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.541 1.007 -5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.305 2.581 -5.501 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.629 2.370 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.426 1.984 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.455 0.534 -4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.238 1.547 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.430 4.234 -4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.276 3.880 -5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.196 4.433 -4.413 1.00 0.00 H new ATOM 130 N PRO A 11 -6.607 -0.603 -2.795 1.00 0.00 N ATOM 131 CA PRO A 11 -6.304 -2.013 -2.507 1.00 0.00 C ATOM 132 C PRO A 11 -7.518 -2.766 -1.966 1.00 0.00 C ATOM 133 O PRO A 11 -8.658 -2.353 -2.178 1.00 0.00 O ATOM 134 CB PRO A 11 -5.193 -1.943 -1.446 1.00 0.00 C ATOM 135 CG PRO A 11 -5.263 -0.560 -0.900 1.00 0.00 C ATOM 136 CD PRO A 11 -5.721 0.302 -2.036 1.00 0.00 C ATOM 0 HA PRO A 11 -6.009 -2.555 -3.406 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.349 -2.684 -0.662 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.216 -2.144 -1.885 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.958 -0.505 -0.062 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.290 -0.236 -0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.252 1.187 -1.684 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.885 0.652 -2.642 1.00 0.00 H new ATOM 144 N ARG A 12 -7.263 -3.877 -1.274 1.00 0.00 N ATOM 145 CA ARG A 12 -8.322 -4.708 -0.698 1.00 0.00 C ATOM 146 C ARG A 12 -8.877 -5.682 -1.733 1.00 0.00 C ATOM 147 O ARG A 12 -9.990 -6.187 -1.588 1.00 0.00 O ATOM 148 CB ARG A 12 -9.458 -3.851 -0.125 1.00 0.00 C ATOM 149 CG ARG A 12 -10.372 -4.608 0.827 1.00 0.00 C ATOM 150 CD ARG A 12 -9.582 -5.323 1.913 1.00 0.00 C ATOM 151 NE ARG A 12 -8.651 -4.423 2.592 1.00 0.00 N ATOM 152 CZ ARG A 12 -7.445 -4.784 3.026 1.00 0.00 C ATOM 153 NH1 ARG A 12 -7.010 -6.028 2.862 1.00 0.00 N ATOM 154 NH2 ARG A 12 -6.669 -3.896 3.633 1.00 0.00 N ATOM 0 H ARG A 12 -6.321 -4.226 -1.097 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.877 -5.278 0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.029 -2.997 0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.053 -3.454 -0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.076 -3.913 1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.961 -5.334 0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.271 -5.750 2.642 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.029 -6.153 1.473 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.944 -3.458 2.743 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.602 -6.718 2.399 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.084 -6.293 3.199 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.996 -2.939 3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.745 -4.170 3.966 1.00 0.00 H new ATOM 168 N VAL A 13 -8.089 -5.950 -2.770 1.00 0.00 N ATOM 169 CA VAL A 13 -8.498 -6.875 -3.820 1.00 0.00 C ATOM 170 C VAL A 13 -8.106 -8.307 -3.465 1.00 0.00 C ATOM 171 O VAL A 13 -8.630 -9.265 -4.036 1.00 0.00 O ATOM 172 CB VAL A 13 -7.867 -6.505 -5.177 1.00 0.00 C ATOM 173 CG1 VAL A 13 -8.442 -7.368 -6.289 1.00 0.00 C ATOM 174 CG2 VAL A 13 -8.075 -5.028 -5.477 1.00 0.00 C ATOM 0 H VAL A 13 -7.165 -5.540 -2.905 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.582 -6.802 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.795 -6.694 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.984 -7.091 -7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.236 -8.417 -6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.520 -7.215 -6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.623 -4.785 -6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.143 -4.811 -5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.609 -4.429 -4.695 1.00 0.00 H new ATOM 184 N THR A 14 -7.183 -8.446 -2.515 1.00 0.00 N ATOM 185 CA THR A 14 -6.719 -9.758 -2.081 1.00 0.00 C ATOM 186 C THR A 14 -6.127 -10.537 -3.250 1.00 0.00 C ATOM 187 O THR A 14 -6.137 -10.072 -4.390 1.00 0.00 O ATOM 188 CB THR A 14 -7.867 -10.556 -1.449 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.061 -9.792 -1.421 1.00 0.00 O ATOM 190 CG2 THR A 14 -7.576 -11.001 -0.032 1.00 0.00 C ATOM 0 H THR A 14 -6.742 -7.663 -2.032 1.00 0.00 H new ATOM 0 HA THR A 14 -5.941 -9.608 -1.332 1.00 0.00 H new ATOM 0 HB THR A 14 -7.981 -11.439 -2.077 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.779 -10.322 -1.016 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.428 -11.560 0.356 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.691 -11.637 -0.025 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.400 -10.127 0.595 1.00 0.00 H new ATOM 198 N CYS A 15 -5.613 -11.726 -2.959 1.00 0.00 N ATOM 199 CA CYS A 15 -5.019 -12.575 -3.982 1.00 0.00 C ATOM 200 C CYS A 15 -6.102 -13.259 -4.812 1.00 0.00 C ATOM 201 O CYS A 15 -7.096 -13.741 -4.267 1.00 0.00 O ATOM 202 CB CYS A 15 -4.123 -13.627 -3.330 1.00 0.00 C ATOM 203 SG CYS A 15 -3.264 -14.703 -4.499 1.00 0.00 S ATOM 0 H CYS A 15 -5.596 -12.124 -2.020 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.419 -11.950 -4.643 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.383 -13.122 -2.709 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.730 -14.243 -2.666 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.992 -14.709 -4.229 1.00 0.00 H new ATOM 209 N PRO A 16 -5.930 -13.316 -6.143 1.00 0.00 N ATOM 210 CA PRO A 16 -6.906 -13.950 -7.035 1.00 0.00 C ATOM 211 C PRO A 16 -7.054 -15.446 -6.768 1.00 0.00 C ATOM 212 O PRO A 16 -8.076 -16.044 -7.099 1.00 0.00 O ATOM 213 CB PRO A 16 -6.330 -13.710 -8.435 1.00 0.00 C ATOM 214 CG PRO A 16 -4.877 -13.471 -8.211 1.00 0.00 C ATOM 215 CD PRO A 16 -4.781 -12.770 -6.889 1.00 0.00 C ATOM 0 HA PRO A 16 -7.905 -13.537 -6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.494 -14.571 -9.083 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.803 -12.854 -8.916 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.323 -14.410 -8.198 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.453 -12.862 -9.009 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.837 -12.981 -6.387 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.848 -11.688 -7.000 1.00 0.00 H new ATOM 223 N ASN A 17 -6.027 -16.047 -6.175 1.00 0.00 N ATOM 224 CA ASN A 17 -6.049 -17.474 -5.873 1.00 0.00 C ATOM 225 C ASN A 17 -5.959 -17.730 -4.368 1.00 0.00 C ATOM 226 O ASN A 17 -6.103 -18.867 -3.919 1.00 0.00 O ATOM 227 CB ASN A 17 -4.893 -18.178 -6.590 1.00 0.00 C ATOM 228 CG ASN A 17 -5.345 -18.889 -7.851 1.00 0.00 C ATOM 229 OD1 ASN A 17 -6.449 -19.431 -7.910 1.00 0.00 O ATOM 230 ND2 ASN A 17 -4.492 -18.890 -8.869 1.00 0.00 N ATOM 0 H ASN A 17 -5.171 -15.569 -5.895 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.998 -17.876 -6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.126 -17.446 -6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.434 -18.899 -5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.742 -19.352 -9.743 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.587 -18.428 -8.777 1.00 0.00 H new ATOM 237 N HIS A 18 -5.727 -16.674 -3.590 1.00 0.00 N ATOM 238 CA HIS A 18 -5.628 -16.806 -2.139 1.00 0.00 C ATOM 239 C HIS A 18 -6.510 -15.780 -1.434 1.00 0.00 C ATOM 240 O HIS A 18 -6.034 -14.723 -1.017 1.00 0.00 O ATOM 241 CB HIS A 18 -4.181 -16.643 -1.672 1.00 0.00 C ATOM 242 CG HIS A 18 -3.258 -17.737 -2.112 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.067 -17.492 -2.760 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.330 -19.080 -1.958 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.444 -18.634 -2.980 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.188 -19.615 -2.505 1.00 0.00 N ATOM 0 H HIS A 18 -5.605 -15.723 -3.938 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.974 -17.806 -1.879 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.798 -15.692 -2.042 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.168 -16.590 -0.583 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.721 -16.571 -3.028 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.135 -19.629 -1.492 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.487 -18.747 -3.467 1.00 0.00 H new ATOM 255 N PRO A 19 -7.811 -16.077 -1.277 1.00 0.00 N ATOM 256 CA PRO A 19 -8.746 -15.170 -0.608 1.00 0.00 C ATOM 257 C PRO A 19 -8.335 -14.897 0.832 1.00 0.00 C ATOM 258 O PRO A 19 -8.497 -13.784 1.335 1.00 0.00 O ATOM 259 CB PRO A 19 -10.085 -15.918 -0.653 1.00 0.00 C ATOM 260 CG PRO A 19 -9.732 -17.342 -0.917 1.00 0.00 C ATOM 261 CD PRO A 19 -8.467 -17.315 -1.727 1.00 0.00 C ATOM 0 HA PRO A 19 -8.784 -14.194 -1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.625 -15.815 0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.731 -15.521 -1.436 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.586 -17.887 0.016 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.531 -17.847 -1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.848 -18.192 -1.537 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.673 -17.296 -2.797 1.00 0.00 H new ATOM 269 N ASP A 20 -7.799 -15.919 1.490 1.00 0.00 N ATOM 270 CA ASP A 20 -7.361 -15.795 2.873 1.00 0.00 C ATOM 271 C ASP A 20 -6.054 -15.011 2.966 1.00 0.00 C ATOM 272 O ASP A 20 -5.836 -14.263 3.920 1.00 0.00 O ATOM 273 CB ASP A 20 -7.189 -17.179 3.503 1.00 0.00 C ATOM 274 CG ASP A 20 -8.441 -17.649 4.215 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.209 -16.788 4.695 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.654 -18.877 4.294 1.00 0.00 O ATOM 0 H ASP A 20 -7.658 -16.845 1.085 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.128 -15.248 3.421 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.924 -17.898 2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.360 -17.153 4.210 1.00 0.00 H new ATOM 281 N ALA A 21 -5.187 -15.184 1.972 1.00 0.00 N ATOM 282 CA ALA A 21 -3.905 -14.488 1.952 1.00 0.00 C ATOM 283 C ALA A 21 -4.081 -13.033 1.536 1.00 0.00 C ATOM 284 O ALA A 21 -3.965 -12.691 0.358 1.00 0.00 O ATOM 285 CB ALA A 21 -2.931 -15.186 1.025 1.00 0.00 C ATOM 0 H ALA A 21 -5.348 -15.798 1.173 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.497 -14.508 2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.982 -14.651 1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.771 -16.208 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.339 -15.202 0.014 1.00 0.00 H new ATOM 291 N ILE A 22 -4.390 -12.203 2.521 1.00 0.00 N ATOM 292 CA ILE A 22 -4.618 -10.780 2.297 1.00 0.00 C ATOM 293 C ILE A 22 -3.330 -10.035 1.938 1.00 0.00 C ATOM 294 O ILE A 22 -2.786 -9.301 2.762 1.00 0.00 O ATOM 295 CB ILE A 22 -5.261 -10.107 3.525 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.348 -11.001 4.129 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.840 -8.758 3.135 1.00 0.00 C ATOM 298 CD1 ILE A 22 -7.377 -11.472 3.123 1.00 0.00 C ATOM 0 H ILE A 22 -4.490 -12.493 3.494 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.303 -10.718 1.452 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.490 -9.955 4.280 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.877 -11.870 4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.854 -10.455 4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.292 -8.290 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.045 -8.118 2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.598 -8.897 2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.114 -12.100 3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.875 -10.609 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.883 -12.046 2.339 1.00 0.00 H new ATOM 310 N LEU A 23 -2.858 -10.237 0.696 1.00 0.00 N ATOM 311 CA LEU A 23 -1.634 -9.585 0.198 1.00 0.00 C ATOM 312 C LEU A 23 -1.199 -8.463 1.130 1.00 0.00 C ATOM 313 O LEU A 23 -1.904 -7.476 1.301 1.00 0.00 O ATOM 314 CB LEU A 23 -1.847 -9.021 -1.211 1.00 0.00 C ATOM 315 CG LEU A 23 -1.461 -9.956 -2.358 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.673 -10.751 -2.811 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.867 -9.164 -3.516 1.00 0.00 C ATOM 0 H LEU A 23 -3.308 -10.849 0.016 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.852 -10.343 0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.898 -8.753 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.271 -8.100 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.702 -10.654 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.389 -11.414 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.052 -11.343 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.450 -10.067 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.598 -9.846 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.601 -8.444 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.023 -8.635 -3.176 1.00 0.00 H new ATOM 329 N VAL A 24 -0.059 -8.630 1.761 1.00 0.00 N ATOM 330 CA VAL A 24 0.418 -7.635 2.695 1.00 0.00 C ATOM 331 C VAL A 24 1.147 -6.503 1.995 1.00 0.00 C ATOM 332 O VAL A 24 1.616 -6.644 0.868 1.00 0.00 O ATOM 333 CB VAL A 24 1.301 -8.272 3.769 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.518 -7.314 4.932 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.658 -9.568 4.236 1.00 0.00 C ATOM 0 H VAL A 24 0.552 -9.439 1.646 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.457 -7.204 3.182 1.00 0.00 H new ATOM 0 HB VAL A 24 2.282 -8.493 3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.149 -7.790 5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.004 -6.408 4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.556 -7.057 5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.282 -10.028 5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.328 -9.357 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.558 -10.250 3.391 1.00 0.00 H new ATOM 345 N GLU A 25 1.198 -5.372 2.673 1.00 0.00 N ATOM 346 CA GLU A 25 1.813 -4.186 2.155 1.00 0.00 C ATOM 347 C GLU A 25 3.313 -4.303 2.188 1.00 0.00 C ATOM 348 O GLU A 25 3.910 -4.747 3.168 1.00 0.00 O ATOM 349 CB GLU A 25 1.358 -2.957 2.945 1.00 0.00 C ATOM 350 CG GLU A 25 0.487 -2.005 2.141 1.00 0.00 C ATOM 351 CD GLU A 25 1.284 -1.199 1.133 1.00 0.00 C ATOM 352 OE1 GLU A 25 2.047 -1.808 0.355 1.00 0.00 O ATOM 353 OE2 GLU A 25 1.143 0.042 1.122 1.00 0.00 O ATOM 0 H GLU A 25 0.806 -5.260 3.608 1.00 0.00 H new ATOM 0 HA GLU A 25 1.501 -4.068 1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.806 -3.285 3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.236 -2.419 3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.282 -2.574 1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.026 -1.325 2.821 1.00 0.00 H new ATOM 360 N ASP A 26 3.899 -3.878 1.103 1.00 0.00 N ATOM 361 CA ASP A 26 5.323 -3.878 0.931 1.00 0.00 C ATOM 362 C ASP A 26 5.968 -5.256 1.044 1.00 0.00 C ATOM 363 O ASP A 26 6.392 -5.669 2.122 1.00 0.00 O ATOM 364 CB ASP A 26 5.984 -2.902 1.895 1.00 0.00 C ATOM 365 CG ASP A 26 5.614 -1.461 1.606 1.00 0.00 C ATOM 366 OD1 ASP A 26 4.411 -1.186 1.410 1.00 0.00 O ATOM 367 OD2 ASP A 26 6.526 -0.608 1.572 1.00 0.00 O ATOM 0 H ASP A 26 3.388 -3.515 0.298 1.00 0.00 H new ATOM 0 HA ASP A 26 5.492 -3.552 -0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.693 -3.151 2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.067 -3.015 1.836 1.00 0.00 H new ATOM 372 N TYR A 27 6.061 -5.951 -0.093 1.00 0.00 N ATOM 373 CA TYR A 27 6.683 -7.271 -0.151 1.00 0.00 C ATOM 374 C TYR A 27 8.097 -7.214 0.394 1.00 0.00 C ATOM 375 O TYR A 27 9.053 -7.072 -0.371 1.00 0.00 O ATOM 376 CB TYR A 27 6.746 -7.765 -1.597 1.00 0.00 C ATOM 377 CG TYR A 27 7.597 -9.006 -1.784 1.00 0.00 C ATOM 378 CD1 TYR A 27 7.709 -9.956 -0.773 1.00 0.00 C ATOM 379 CD2 TYR A 27 8.287 -9.226 -2.969 1.00 0.00 C ATOM 380 CE1 TYR A 27 8.485 -11.087 -0.941 1.00 0.00 C ATOM 381 CE2 TYR A 27 9.065 -10.355 -3.142 1.00 0.00 C ATOM 382 CZ TYR A 27 9.161 -11.283 -2.127 1.00 0.00 C ATOM 383 OH TYR A 27 9.934 -12.407 -2.298 1.00 0.00 O ATOM 0 H TYR A 27 5.710 -5.616 -0.990 1.00 0.00 H new ATOM 0 HA TYR A 27 6.080 -7.952 0.450 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.734 -7.974 -1.944 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.140 -6.967 -2.227 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.181 -9.807 0.157 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.214 -8.503 -3.768 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.562 -11.815 -0.147 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.596 -10.510 -4.070 1.00 0.00 H new ATOM 0 HH TYR A 27 10.341 -12.392 -3.190 1.00 0.00 H new ATOM 393 N ARG A 28 8.246 -7.311 1.706 1.00 0.00 N ATOM 394 CA ARG A 28 9.571 -7.254 2.301 1.00 0.00 C ATOM 395 C ARG A 28 10.291 -5.991 1.834 1.00 0.00 C ATOM 396 O ARG A 28 11.471 -6.029 1.482 1.00 0.00 O ATOM 397 CB ARG A 28 10.370 -8.494 1.903 1.00 0.00 C ATOM 398 CG ARG A 28 10.277 -9.627 2.914 1.00 0.00 C ATOM 399 CD ARG A 28 11.649 -10.182 3.265 1.00 0.00 C ATOM 400 NE ARG A 28 12.446 -9.229 4.037 1.00 0.00 N ATOM 401 CZ ARG A 28 13.396 -8.453 3.517 1.00 0.00 C ATOM 402 NH1 ARG A 28 13.675 -8.501 2.220 1.00 0.00 N ATOM 403 NH2 ARG A 28 14.069 -7.621 4.300 1.00 0.00 N ATOM 0 H ARG A 28 7.480 -7.428 2.369 1.00 0.00 H new ATOM 0 HA ARG A 28 9.479 -7.228 3.387 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.015 -8.850 0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.416 -8.217 1.775 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.787 -9.268 3.819 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.654 -10.425 2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.532 -11.103 3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.180 -10.440 2.349 1.00 0.00 H new ATOM 0 HE ARG A 28 12.263 -9.154 5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.160 -9.137 1.611 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.404 -7.902 1.833 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.859 -7.577 5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.797 -7.026 3.905 1.00 0.00 H new ATOM 417 N ALA A 29 9.550 -4.882 1.810 1.00 0.00 N ATOM 418 CA ALA A 29 10.065 -3.586 1.364 1.00 0.00 C ATOM 419 C ALA A 29 9.766 -3.378 -0.117 1.00 0.00 C ATOM 420 O ALA A 29 10.540 -2.747 -0.838 1.00 0.00 O ATOM 421 CB ALA A 29 11.560 -3.453 1.631 1.00 0.00 C ATOM 0 H ALA A 29 8.572 -4.857 2.100 1.00 0.00 H new ATOM 0 HA ALA A 29 9.558 -2.811 1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.906 -2.478 1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.748 -3.548 2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.096 -4.238 1.097 1.00 0.00 H new ATOM 427 N GLY A 30 8.632 -3.914 -0.561 1.00 0.00 N ATOM 428 CA GLY A 30 8.238 -3.785 -1.953 1.00 0.00 C ATOM 429 C GLY A 30 6.786 -3.360 -2.108 1.00 0.00 C ATOM 430 O GLY A 30 6.347 -2.389 -1.493 1.00 0.00 O ATOM 0 H GLY A 30 7.977 -4.437 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.882 -3.055 -2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.391 -4.737 -2.461 1.00 0.00 H new ATOM 434 N ASP A 31 6.045 -4.091 -2.937 1.00 0.00 N ATOM 435 CA ASP A 31 4.632 -3.799 -3.179 1.00 0.00 C ATOM 436 C ASP A 31 3.749 -4.679 -2.293 1.00 0.00 C ATOM 437 O ASP A 31 4.061 -4.895 -1.129 1.00 0.00 O ATOM 438 CB ASP A 31 4.302 -3.984 -4.665 1.00 0.00 C ATOM 439 CG ASP A 31 5.440 -3.549 -5.572 1.00 0.00 C ATOM 440 OD1 ASP A 31 6.316 -4.387 -5.873 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.456 -2.368 -5.977 1.00 0.00 O ATOM 0 H ASP A 31 6.401 -4.894 -3.456 1.00 0.00 H new ATOM 0 HA ASP A 31 4.431 -2.760 -2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.071 -5.032 -4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.408 -3.411 -4.909 1.00 0.00 H new ATOM 446 N MET A 32 2.650 -5.188 -2.834 1.00 0.00 N ATOM 447 CA MET A 32 1.748 -6.035 -2.066 1.00 0.00 C ATOM 448 C MET A 32 2.056 -7.508 -2.300 1.00 0.00 C ATOM 449 O MET A 32 1.907 -8.015 -3.408 1.00 0.00 O ATOM 450 CB MET A 32 0.320 -5.731 -2.473 1.00 0.00 C ATOM 451 CG MET A 32 -0.201 -4.416 -1.916 1.00 0.00 C ATOM 452 SD MET A 32 -0.977 -3.383 -3.174 1.00 0.00 S ATOM 453 CE MET A 32 -0.720 -1.752 -2.478 1.00 0.00 C ATOM 0 H MET A 32 2.362 -5.029 -3.800 1.00 0.00 H new ATOM 0 HA MET A 32 1.883 -5.828 -1.004 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.258 -5.706 -3.561 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.326 -6.541 -2.135 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.923 -4.622 -1.126 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.623 -3.868 -1.460 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.146 -1.001 -3.143 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.205 -1.691 -1.504 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.348 -1.570 -2.363 1.00 0.00 H new ATOM 463 N ILE A 33 2.509 -8.182 -1.256 1.00 0.00 N ATOM 464 CA ILE A 33 2.872 -9.584 -1.348 1.00 0.00 C ATOM 465 C ILE A 33 1.835 -10.489 -0.731 1.00 0.00 C ATOM 466 O ILE A 33 1.407 -10.283 0.401 1.00 0.00 O ATOM 467 CB ILE A 33 4.210 -9.844 -0.644 1.00 0.00 C ATOM 468 CG1 ILE A 33 4.674 -11.268 -0.917 1.00 0.00 C ATOM 469 CG2 ILE A 33 4.089 -9.592 0.852 1.00 0.00 C ATOM 470 CD1 ILE A 33 5.295 -11.449 -2.275 1.00 0.00 C ATOM 0 H ILE A 33 2.634 -7.776 -0.329 1.00 0.00 H new ATOM 0 HA ILE A 33 2.947 -9.809 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 33 4.954 -9.153 -1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.397 -11.558 -0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.823 -11.943 -0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.049 -9.782 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.796 -8.556 1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.335 -10.257 1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.602 -12.488 -2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.568 -11.191 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.166 -10.800 -2.366 1.00 0.00 H new ATOM 482 N CYS A 34 1.484 -11.529 -1.463 1.00 0.00 N ATOM 483 CA CYS A 34 0.557 -12.506 -0.959 1.00 0.00 C ATOM 484 C CYS A 34 1.363 -13.582 -0.269 1.00 0.00 C ATOM 485 O CYS A 34 1.861 -14.482 -0.927 1.00 0.00 O ATOM 486 CB CYS A 34 -0.259 -13.118 -2.090 1.00 0.00 C ATOM 487 SG CYS A 34 -1.367 -14.441 -1.567 1.00 0.00 S ATOM 0 H CYS A 34 1.829 -11.713 -2.405 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.141 -12.034 -0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.847 -12.333 -2.565 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.423 -13.507 -2.846 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.168 -14.748 -2.544 1.00 0.00 H new ATOM 493 N PRO A 35 1.519 -13.507 1.062 1.00 0.00 N ATOM 494 CA PRO A 35 2.303 -14.477 1.832 1.00 0.00 C ATOM 495 C PRO A 35 2.041 -15.929 1.445 1.00 0.00 C ATOM 496 O PRO A 35 2.776 -16.822 1.860 1.00 0.00 O ATOM 497 CB PRO A 35 1.872 -14.218 3.288 1.00 0.00 C ATOM 498 CG PRO A 35 0.737 -13.249 3.205 1.00 0.00 C ATOM 499 CD PRO A 35 0.954 -12.480 1.938 1.00 0.00 C ATOM 0 HA PRO A 35 3.370 -14.345 1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.563 -15.143 3.776 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.695 -13.808 3.873 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.221 -13.768 3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.725 -12.585 4.069 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.024 -12.071 1.543 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.636 -11.642 2.079 1.00 0.00 H new ATOM 507 N GLU A 36 1.010 -16.166 0.651 1.00 0.00 N ATOM 508 CA GLU A 36 0.682 -17.512 0.230 1.00 0.00 C ATOM 509 C GLU A 36 1.442 -17.862 -1.039 1.00 0.00 C ATOM 510 O GLU A 36 2.333 -18.702 -1.020 1.00 0.00 O ATOM 511 CB GLU A 36 -0.824 -17.651 0.020 1.00 0.00 C ATOM 512 CG GLU A 36 -1.546 -18.270 1.206 1.00 0.00 C ATOM 513 CD GLU A 36 -0.962 -19.608 1.613 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.014 -19.620 2.427 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.452 -20.646 1.117 1.00 0.00 O ATOM 0 H GLU A 36 0.389 -15.443 0.287 1.00 0.00 H new ATOM 0 HA GLU A 36 0.980 -18.210 1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.248 -16.667 -0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.005 -18.262 -0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.499 -17.585 2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.600 -18.398 0.958 1.00 0.00 H new ATOM 522 N CYS A 37 1.166 -17.159 -2.124 1.00 0.00 N ATOM 523 CA CYS A 37 1.902 -17.380 -3.363 1.00 0.00 C ATOM 524 C CYS A 37 3.085 -16.434 -3.375 1.00 0.00 C ATOM 525 O CYS A 37 4.080 -16.654 -4.059 1.00 0.00 O ATOM 526 CB CYS A 37 1.028 -17.120 -4.594 1.00 0.00 C ATOM 527 SG CYS A 37 0.107 -15.567 -4.534 1.00 0.00 S ATOM 0 H CYS A 37 0.447 -16.438 -2.176 1.00 0.00 H new ATOM 0 HA CYS A 37 2.226 -18.420 -3.405 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.661 -17.120 -5.481 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.323 -17.944 -4.705 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.304 -15.353 -3.319 1.00 0.00 H new ATOM 533 N GLY A 38 2.928 -15.368 -2.603 1.00 0.00 N ATOM 534 CA GLY A 38 3.926 -14.343 -2.485 1.00 0.00 C ATOM 535 C GLY A 38 4.010 -13.512 -3.740 1.00 0.00 C ATOM 536 O GLY A 38 5.087 -13.244 -4.273 1.00 0.00 O ATOM 0 H GLY A 38 2.094 -15.199 -2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.692 -13.701 -1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.895 -14.798 -2.282 1.00 0.00 H new ATOM 540 N LEU A 39 2.843 -13.121 -4.203 1.00 0.00 N ATOM 541 CA LEU A 39 2.714 -12.316 -5.405 1.00 0.00 C ATOM 542 C LEU A 39 2.837 -10.846 -5.049 1.00 0.00 C ATOM 543 O LEU A 39 2.330 -10.416 -4.017 1.00 0.00 O ATOM 544 CB LEU A 39 1.376 -12.591 -6.095 1.00 0.00 C ATOM 545 CG LEU A 39 0.196 -11.773 -5.573 1.00 0.00 C ATOM 546 CD1 LEU A 39 -0.111 -10.632 -6.518 1.00 0.00 C ATOM 547 CD2 LEU A 39 -1.029 -12.647 -5.373 1.00 0.00 C ATOM 0 H LEU A 39 1.954 -13.351 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 39 3.512 -12.582 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.489 -12.397 -7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.140 -13.650 -5.987 1.00 0.00 H new ATOM 0 HG LEU A 39 0.472 -11.358 -4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.954 -10.058 -6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.762 -9.984 -6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.362 -11.031 -7.501 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.853 -12.039 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.312 -13.100 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.802 -13.431 -4.651 1.00 0.00 H new ATOM 559 N VAL A 40 3.539 -10.099 -5.890 1.00 0.00 N ATOM 560 CA VAL A 40 3.766 -8.690 -5.656 1.00 0.00 C ATOM 561 C VAL A 40 2.966 -7.829 -6.622 1.00 0.00 C ATOM 562 O VAL A 40 3.148 -7.907 -7.834 1.00 0.00 O ATOM 563 CB VAL A 40 5.261 -8.349 -5.797 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.533 -6.931 -5.334 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.112 -9.344 -5.020 1.00 0.00 C ATOM 0 H VAL A 40 3.962 -10.455 -6.747 1.00 0.00 H new ATOM 0 HA VAL A 40 3.436 -8.476 -4.639 1.00 0.00 H new ATOM 0 HB VAL A 40 5.531 -8.419 -6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.595 -6.710 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.954 -6.233 -5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.246 -6.829 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.165 -9.087 -5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.840 -9.310 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.941 -10.349 -5.406 1.00 0.00 H new ATOM 575 N VAL A 41 2.091 -6.995 -6.079 1.00 0.00 N ATOM 576 CA VAL A 41 1.285 -6.108 -6.904 1.00 0.00 C ATOM 577 C VAL A 41 1.562 -4.652 -6.553 1.00 0.00 C ATOM 578 O VAL A 41 1.578 -4.283 -5.379 1.00 0.00 O ATOM 579 CB VAL A 41 -0.233 -6.346 -6.763 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.943 -6.026 -8.068 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.535 -7.764 -6.349 1.00 0.00 C ATOM 0 H VAL A 41 1.922 -6.914 -5.076 1.00 0.00 H new ATOM 0 HA VAL A 41 1.572 -6.330 -7.932 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.599 -5.680 -5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.013 -6.199 -7.952 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.770 -4.982 -8.330 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.556 -6.667 -8.860 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.613 -7.895 -6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.147 -8.453 -7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.063 -7.971 -5.388 1.00 0.00 H new ATOM 591 N GLY A 42 1.766 -3.823 -7.568 1.00 0.00 N ATOM 592 CA GLY A 42 2.026 -2.417 -7.332 1.00 0.00 C ATOM 593 C GLY A 42 3.363 -1.980 -7.872 1.00 0.00 C ATOM 594 O GLY A 42 4.255 -2.799 -8.094 1.00 0.00 O ATOM 0 H GLY A 42 1.756 -4.099 -8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.239 -1.822 -7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.988 -2.218 -6.261 1.00 0.00 H new ATOM 598 N ASP A 43 3.499 -0.681 -8.079 1.00 0.00 N ATOM 599 CA ASP A 43 4.732 -0.115 -8.593 1.00 0.00 C ATOM 600 C ASP A 43 4.653 1.407 -8.595 1.00 0.00 C ATOM 601 O ASP A 43 3.982 2.002 -9.438 1.00 0.00 O ATOM 602 CB ASP A 43 5.005 -0.631 -10.009 1.00 0.00 C ATOM 603 CG ASP A 43 6.349 -1.322 -10.122 1.00 0.00 C ATOM 604 OD1 ASP A 43 6.501 -2.423 -9.549 1.00 0.00 O ATOM 605 OD2 ASP A 43 7.250 -0.765 -10.784 1.00 0.00 O ATOM 0 H ASP A 43 2.765 0.004 -7.897 1.00 0.00 H new ATOM 0 HA ASP A 43 5.552 -0.423 -7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.217 -1.326 -10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.968 0.203 -10.710 1.00 0.00 H new ATOM 610 N ARG A 44 5.344 2.033 -7.648 1.00 0.00 N ATOM 611 CA ARG A 44 5.350 3.488 -7.545 1.00 0.00 C ATOM 612 C ARG A 44 6.610 3.982 -6.842 1.00 0.00 C ATOM 613 O ARG A 44 6.923 3.551 -5.732 1.00 0.00 O ATOM 614 CB ARG A 44 4.104 3.971 -6.795 1.00 0.00 C ATOM 615 CG ARG A 44 3.097 4.681 -7.686 1.00 0.00 C ATOM 616 CD ARG A 44 1.669 4.270 -7.360 1.00 0.00 C ATOM 617 NE ARG A 44 0.887 4.006 -8.565 1.00 0.00 N ATOM 618 CZ ARG A 44 0.346 4.959 -9.321 1.00 0.00 C ATOM 619 NH1 ARG A 44 0.499 6.238 -9.001 1.00 0.00 N ATOM 620 NH2 ARG A 44 -0.350 4.632 -10.401 1.00 0.00 N ATOM 0 H ARG A 44 5.906 1.557 -6.942 1.00 0.00 H new ATOM 0 HA ARG A 44 5.340 3.899 -8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.620 3.116 -6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.410 4.646 -5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.202 5.759 -7.566 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.312 4.454 -8.730 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.682 3.378 -6.734 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.188 5.058 -6.781 1.00 0.00 H new ATOM 0 HE ARG A 44 0.747 3.035 -8.844 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.034 6.496 -8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.082 6.963 -9.585 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.471 3.651 -10.652 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.765 5.362 -10.981 1.00 0.00 H new ATOM 634 N VAL A 45 7.329 4.889 -7.497 1.00 0.00 N ATOM 635 CA VAL A 45 8.555 5.444 -6.936 1.00 0.00 C ATOM 636 C VAL A 45 8.423 6.946 -6.706 1.00 0.00 C ATOM 637 O VAL A 45 8.903 7.475 -5.703 1.00 0.00 O ATOM 638 CB VAL A 45 9.763 5.176 -7.855 1.00 0.00 C ATOM 639 CG1 VAL A 45 9.573 5.852 -9.206 1.00 0.00 C ATOM 640 CG2 VAL A 45 11.054 5.638 -7.194 1.00 0.00 C ATOM 0 H VAL A 45 7.083 5.255 -8.417 1.00 0.00 H new ATOM 0 HA VAL A 45 8.721 4.948 -5.979 1.00 0.00 H new ATOM 0 HB VAL A 45 9.833 4.101 -8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.437 5.650 -9.839 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.674 5.463 -9.684 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.471 6.928 -9.063 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.894 5.440 -7.859 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.996 6.707 -6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.197 5.098 -6.258 1.00 0.00 H new ATOM 650 N ILE A 46 7.769 7.627 -7.641 1.00 0.00 N ATOM 651 CA ILE A 46 7.572 9.068 -7.540 1.00 0.00 C ATOM 652 C ILE A 46 6.412 9.400 -6.605 1.00 0.00 C ATOM 653 O ILE A 46 5.254 9.120 -6.910 1.00 0.00 O ATOM 654 CB ILE A 46 7.308 9.696 -8.926 1.00 0.00 C ATOM 655 CG1 ILE A 46 7.226 11.221 -8.818 1.00 0.00 C ATOM 656 CG2 ILE A 46 6.031 9.132 -9.532 1.00 0.00 C ATOM 657 CD1 ILE A 46 8.546 11.916 -9.073 1.00 0.00 C ATOM 0 H ILE A 46 7.366 7.204 -8.477 1.00 0.00 H new ATOM 0 HA ILE A 46 8.491 9.489 -7.131 1.00 0.00 H new ATOM 0 HB ILE A 46 8.140 9.444 -9.583 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.487 11.589 -9.530 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.870 11.488 -7.823 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.860 9.586 -10.508 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.128 8.052 -9.645 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.189 9.354 -8.877 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.414 12.994 -8.980 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.283 11.577 -8.345 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.894 11.679 -10.078 1.00 0.00 H new ATOM 669 N ASP A 47 6.735 9.999 -5.463 1.00 0.00 N ATOM 670 CA ASP A 47 5.722 10.371 -4.480 1.00 0.00 C ATOM 671 C ASP A 47 4.939 11.596 -4.945 1.00 0.00 C ATOM 672 O ASP A 47 5.008 11.983 -6.111 1.00 0.00 O ATOM 673 CB ASP A 47 6.375 10.647 -3.124 1.00 0.00 C ATOM 674 CG ASP A 47 5.606 10.024 -1.975 1.00 0.00 C ATOM 675 OD1 ASP A 47 4.429 10.396 -1.779 1.00 0.00 O ATOM 676 OD2 ASP A 47 6.180 9.168 -1.271 1.00 0.00 O ATOM 0 H ASP A 47 7.690 10.237 -5.195 1.00 0.00 H new ATOM 0 HA ASP A 47 5.027 9.538 -4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.394 10.259 -3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.445 11.724 -2.970 1.00 0.00 H new ATOM 681 N VAL A 48 4.196 12.204 -4.026 1.00 0.00 N ATOM 682 CA VAL A 48 3.403 13.387 -4.346 1.00 0.00 C ATOM 683 C VAL A 48 4.039 14.647 -3.771 1.00 0.00 C ATOM 684 O VAL A 48 4.107 14.822 -2.554 1.00 0.00 O ATOM 685 CB VAL A 48 1.957 13.268 -3.821 1.00 0.00 C ATOM 686 CG1 VAL A 48 1.093 12.502 -4.810 1.00 0.00 C ATOM 687 CG2 VAL A 48 1.927 12.603 -2.452 1.00 0.00 C ATOM 0 H VAL A 48 4.126 11.898 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 48 3.376 13.458 -5.433 1.00 0.00 H new ATOM 0 HB VAL A 48 1.550 14.274 -3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.077 12.428 -4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.081 13.027 -5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.502 11.501 -4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.896 12.531 -2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.356 11.604 -2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.507 13.197 -1.746 1.00 0.00 H new ATOM 697 N GLY A 49 4.503 15.523 -4.656 1.00 0.00 N ATOM 698 CA GLY A 49 5.129 16.759 -4.223 1.00 0.00 C ATOM 699 C GLY A 49 5.195 17.793 -5.329 1.00 0.00 C ATOM 700 O GLY A 49 6.092 18.634 -5.349 1.00 0.00 O ATOM 0 H GLY A 49 4.457 15.399 -5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.573 17.168 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.137 16.547 -3.867 1.00 0.00 H new ATOM 704 N SER A 50 4.240 17.732 -6.252 1.00 0.00 N ATOM 705 CA SER A 50 4.193 18.669 -7.368 1.00 0.00 C ATOM 706 C SER A 50 3.385 19.912 -7.001 1.00 0.00 C ATOM 707 O SER A 50 3.656 21.006 -7.493 1.00 0.00 O ATOM 708 CB SER A 50 3.585 17.997 -8.600 1.00 0.00 C ATOM 709 OG SER A 50 2.272 17.537 -8.336 1.00 0.00 O ATOM 0 H SER A 50 3.488 17.043 -6.249 1.00 0.00 H new ATOM 0 HA SER A 50 5.214 18.975 -7.597 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.566 18.703 -9.430 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.212 17.160 -8.908 1.00 0.00 H new ATOM 0 HG SER A 50 1.906 17.113 -9.140 1.00 0.00 H new ATOM 715 N GLU A 51 2.392 19.731 -6.135 1.00 0.00 N ATOM 716 CA GLU A 51 1.545 20.837 -5.704 1.00 0.00 C ATOM 717 C GLU A 51 1.624 21.023 -4.190 1.00 0.00 C ATOM 718 O GLU A 51 0.694 20.678 -3.460 1.00 0.00 O ATOM 719 CB GLU A 51 0.095 20.591 -6.130 1.00 0.00 C ATOM 720 CG GLU A 51 -0.595 21.826 -6.686 1.00 0.00 C ATOM 721 CD GLU A 51 -1.565 22.447 -5.700 1.00 0.00 C ATOM 722 OE1 GLU A 51 -2.135 21.700 -4.878 1.00 0.00 O ATOM 723 OE2 GLU A 51 -1.755 23.680 -5.751 1.00 0.00 O ATOM 0 H GLU A 51 2.155 18.830 -5.719 1.00 0.00 H new ATOM 0 HA GLU A 51 1.904 21.749 -6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.075 19.804 -6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.470 20.225 -5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.158 22.564 -6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.130 21.559 -7.597 1.00 0.00 H new ATOM 730 N TRP A 52 2.744 21.572 -3.726 1.00 0.00 N ATOM 731 CA TRP A 52 2.951 21.807 -2.301 1.00 0.00 C ATOM 732 C TRP A 52 2.972 20.493 -1.526 1.00 0.00 C ATOM 733 O TRP A 52 4.040 19.981 -1.185 1.00 0.00 O ATOM 734 CB TRP A 52 1.856 22.724 -1.747 1.00 0.00 C ATOM 735 CG TRP A 52 2.197 24.185 -1.816 1.00 0.00 C ATOM 736 CD1 TRP A 52 3.393 24.737 -2.182 1.00 0.00 C ATOM 737 CD2 TRP A 52 1.328 25.281 -1.508 1.00 0.00 C ATOM 738 NE1 TRP A 52 3.317 26.107 -2.120 1.00 0.00 N ATOM 739 CE2 TRP A 52 2.060 26.465 -1.710 1.00 0.00 C ATOM 740 CE3 TRP A 52 -0.001 25.374 -1.084 1.00 0.00 C ATOM 741 CZ2 TRP A 52 1.509 27.727 -1.500 1.00 0.00 C ATOM 742 CZ3 TRP A 52 -0.547 26.626 -0.876 1.00 0.00 C ATOM 743 CH2 TRP A 52 0.207 27.788 -1.085 1.00 0.00 C ATOM 0 H TRP A 52 3.522 21.862 -4.318 1.00 0.00 H new ATOM 0 HA TRP A 52 3.919 22.293 -2.178 1.00 0.00 H new ATOM 0 HB2 TRP A 52 0.934 22.549 -2.301 1.00 0.00 H new ATOM 0 HB3 TRP A 52 1.660 22.455 -0.709 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.269 24.178 -2.477 1.00 0.00 H new ATOM 0 HE1 TRP A 52 4.074 26.753 -2.343 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -0.590 24.483 -0.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.089 28.624 -1.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -1.572 26.710 -0.547 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.249 28.752 -0.915 1.00 0.00 H new ATOM 754 N ARG A 53 1.790 19.950 -1.249 1.00 0.00 N ATOM 755 CA ARG A 53 1.677 18.696 -0.511 1.00 0.00 C ATOM 756 C ARG A 53 2.307 18.823 0.872 1.00 0.00 C ATOM 757 O ARG A 53 3.346 18.223 1.151 1.00 0.00 O ATOM 758 CB ARG A 53 2.344 17.559 -1.289 1.00 0.00 C ATOM 759 CG ARG A 53 1.749 16.191 -0.993 1.00 0.00 C ATOM 760 CD ARG A 53 2.067 15.738 0.423 1.00 0.00 C ATOM 761 NE ARG A 53 1.978 14.287 0.567 1.00 0.00 N ATOM 762 CZ ARG A 53 1.848 13.664 1.736 1.00 0.00 C ATOM 763 NH1 ARG A 53 1.790 14.361 2.864 1.00 0.00 N ATOM 764 NH2 ARG A 53 1.774 12.342 1.777 1.00 0.00 N ATOM 0 H ARG A 53 0.897 20.359 -1.524 1.00 0.00 H new ATOM 0 HA ARG A 53 0.618 18.468 -0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.258 17.761 -2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.408 17.543 -1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.668 16.226 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.138 15.463 -1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.070 16.068 0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.377 16.214 1.119 1.00 0.00 H new ATOM 0 HE ARG A 53 2.018 13.718 -0.278 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.845 15.379 2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.690 13.878 3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.817 11.802 0.913 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.674 11.864 2.673 1.00 0.00 H new ATOM 778 N THR A 54 1.671 19.607 1.736 1.00 0.00 N ATOM 779 CA THR A 54 2.168 19.812 3.092 1.00 0.00 C ATOM 780 C THR A 54 1.068 19.563 4.119 1.00 0.00 C ATOM 781 O THR A 54 -0.109 19.469 3.772 1.00 0.00 O ATOM 782 CB THR A 54 2.716 21.232 3.247 1.00 0.00 C ATOM 783 OG1 THR A 54 3.129 21.750 1.995 1.00 0.00 O ATOM 784 CG2 THR A 54 3.895 21.318 4.192 1.00 0.00 C ATOM 0 H THR A 54 0.810 20.111 1.522 1.00 0.00 H new ATOM 0 HA THR A 54 2.972 19.098 3.269 1.00 0.00 H new ATOM 0 HB THR A 54 1.894 21.815 3.663 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.475 22.659 2.115 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.235 22.352 4.257 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.594 20.972 5.181 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.706 20.692 3.820 1.00 0.00 H new ATOM 792 N PHE A 55 1.459 19.460 5.385 1.00 0.00 N ATOM 793 CA PHE A 55 0.505 19.221 6.463 1.00 0.00 C ATOM 794 C PHE A 55 0.228 20.505 7.239 1.00 0.00 C ATOM 795 O PHE A 55 0.547 20.609 8.424 1.00 0.00 O ATOM 796 CB PHE A 55 1.029 18.138 7.410 1.00 0.00 C ATOM 797 CG PHE A 55 2.488 18.283 7.743 1.00 0.00 C ATOM 798 CD1 PHE A 55 3.456 17.706 6.937 1.00 0.00 C ATOM 799 CD2 PHE A 55 2.890 18.994 8.862 1.00 0.00 C ATOM 800 CE1 PHE A 55 4.797 17.834 7.240 1.00 0.00 C ATOM 801 CE2 PHE A 55 4.231 19.126 9.170 1.00 0.00 C ATOM 802 CZ PHE A 55 5.185 18.546 8.359 1.00 0.00 C ATOM 0 H PHE A 55 2.429 19.538 5.690 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.429 18.879 6.017 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.450 18.164 8.333 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.864 17.160 6.957 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.158 17.149 6.061 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.148 19.450 9.500 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.541 17.379 6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.532 19.683 10.045 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.233 18.648 8.598 1.00 0.00 H new ATOM 812 N SER A 56 -0.368 21.481 6.563 1.00 0.00 N ATOM 813 CA SER A 56 -0.690 22.758 7.188 1.00 0.00 C ATOM 814 C SER A 56 0.570 23.443 7.708 1.00 0.00 C ATOM 815 O SER A 56 1.669 22.900 7.611 1.00 0.00 O ATOM 816 CB SER A 56 -1.685 22.554 8.332 1.00 0.00 C ATOM 817 OG SER A 56 -2.848 21.884 7.881 1.00 0.00 O ATOM 0 H SER A 56 -0.638 21.412 5.582 1.00 0.00 H new ATOM 0 HA SER A 56 -1.144 23.399 6.433 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.215 21.977 9.129 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.959 23.520 8.757 1.00 0.00 H new ATOM 0 HG SER A 56 -3.468 21.764 8.631 1.00 0.00 H new ATOM 823 N ASN A 57 0.402 24.639 8.262 1.00 0.00 N ATOM 824 CA ASN A 57 1.525 25.400 8.798 1.00 0.00 C ATOM 825 C ASN A 57 1.418 25.540 10.313 1.00 0.00 C ATOM 826 O ASN A 57 0.322 25.509 10.874 1.00 0.00 O ATOM 827 CB ASN A 57 1.581 26.786 8.150 1.00 0.00 C ATOM 828 CG ASN A 57 2.998 27.219 7.828 1.00 0.00 C ATOM 829 OD1 ASN A 57 3.919 26.404 7.805 1.00 0.00 O ATOM 830 ND2 ASN A 57 3.178 28.512 7.580 1.00 0.00 N ATOM 0 H ASN A 57 -0.502 25.103 8.352 1.00 0.00 H new ATOM 0 HA ASN A 57 2.442 24.858 8.567 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.989 26.780 7.235 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.125 27.515 8.819 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.110 28.864 7.359 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.385 29.152 7.610 1.00 0.00 H new ATOM 837 N ASP A 58 2.564 25.698 10.970 1.00 0.00 N ATOM 838 CA ASP A 58 2.598 25.846 12.419 1.00 0.00 C ATOM 839 C ASP A 58 2.377 27.302 12.819 1.00 0.00 C ATOM 840 O ASP A 58 1.621 27.594 13.746 1.00 0.00 O ATOM 841 CB ASP A 58 3.936 25.351 12.973 1.00 0.00 C ATOM 842 CG ASP A 58 3.874 25.057 14.459 1.00 0.00 C ATOM 843 OD1 ASP A 58 3.937 26.015 15.257 1.00 0.00 O ATOM 844 OD2 ASP A 58 3.761 23.868 14.823 1.00 0.00 O ATOM 0 H ASP A 58 3.479 25.727 10.521 1.00 0.00 H new ATOM 0 HA ASP A 58 1.794 25.243 12.841 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.236 24.449 12.439 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.704 26.102 12.786 1.00 0.00 H new ATOM 849 N LYS A 59 3.043 28.209 12.113 1.00 0.00 N ATOM 850 CA LYS A 59 2.921 29.636 12.390 1.00 0.00 C ATOM 851 C LYS A 59 2.282 30.365 11.212 1.00 0.00 C ATOM 852 O LYS A 59 1.780 29.682 10.295 1.00 0.00 O ATOM 853 CB LYS A 59 4.298 30.234 12.694 1.00 0.00 C ATOM 854 CG LYS A 59 4.492 30.597 14.158 1.00 0.00 C ATOM 855 CD LYS A 59 5.885 30.227 14.643 1.00 0.00 C ATOM 856 CE LYS A 59 5.953 28.773 15.081 1.00 0.00 C ATOM 857 NZ LYS A 59 6.435 27.885 13.986 1.00 0.00 N ATOM 0 H LYS A 59 3.673 27.981 11.344 1.00 0.00 H new ATOM 0 HA LYS A 59 2.278 29.761 13.261 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.068 29.521 12.400 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.440 31.126 12.085 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.330 31.666 14.293 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.746 30.083 14.764 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.608 30.402 13.846 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.165 30.873 15.475 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.618 28.683 15.940 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.966 28.445 15.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.645 26.942 14.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.700 27.805 13.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.297 28.288 13.567 1.00 0.00 H new TER 871 LYS A 59