USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 CYS SG : rot 180:sc= 0.0862 USER MOD Set 1.2: A 78 LYS NZ :NH3+ -137:sc= 0.516 (180deg=-2.35) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= -0.0341 USER MOD Set 2.2: A 77 MET CE :methyl -112:sc= -4.14! (180deg=-4.21!) USER MOD Single : A 25 GLN : amide:sc= -1.64 K(o=-1.6,f=-4.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -23:sc= 0.815 USER MOD Single : A 34 LYS NZ :NH3+ 174:sc= -2.18! (180deg=-2.35!) USER MOD Single : A 37 LYS NZ :NH3+ -145:sc= -1 (180deg=-2.71!) USER MOD Single : A 42 SER OG : rot -173:sc= -0.271 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -23:sc= -0.0669 USER MOD Single : A 48 HIS : no HE2:sc= -2.42! C(o=-2.4!,f=-9.7!) USER MOD Single : A 49 MET CE :methyl 155:sc= -3.41! (180deg=-5.54!) USER MOD Single : A 50 LYS NZ :NH3+ -150:sc= 0.645 (180deg=0.235) USER MOD Single : A 54 HIS : no HD1:sc= -0.621 K(o=-0.62,f=0) USER MOD Single : A 63 SER OG : rot 34:sc= 0.148 USER MOD Single : A 64 GLN : amide:sc= -3.01! C(o=-3!,f=-3.2!) USER MOD Single : A 69 SER OG : rot -34:sc= 1.13 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N CYS A 24 -12.198 -3.536 1.273 1.00 0.00 N ATOM 45 CA CYS A 24 -10.982 -4.129 0.728 1.00 0.00 C ATOM 46 C CYS A 24 -9.853 -4.109 1.757 1.00 0.00 C ATOM 47 O CYS A 24 -9.947 -3.436 2.783 1.00 0.00 O ATOM 48 CB CYS A 24 -10.553 -3.382 -0.536 1.00 0.00 C ATOM 49 SG CYS A 24 -11.871 -3.193 -1.762 1.00 0.00 S ATOM 0 HA CYS A 24 -11.195 -5.168 0.475 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.187 -2.394 -0.256 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.718 -3.913 -0.994 1.00 0.00 H new ATOM 0 HG CYS A 24 -11.414 -2.548 -2.794 1.00 0.00 H new ATOM 55 N GLN A 25 -8.785 -4.848 1.468 1.00 0.00 N ATOM 56 CA GLN A 25 -7.635 -4.928 2.361 1.00 0.00 C ATOM 57 C GLN A 25 -6.399 -5.383 1.589 1.00 0.00 C ATOM 58 O GLN A 25 -6.412 -6.427 0.938 1.00 0.00 O ATOM 59 CB GLN A 25 -7.920 -5.897 3.512 1.00 0.00 C ATOM 60 CG GLN A 25 -9.209 -5.597 4.263 1.00 0.00 C ATOM 61 CD GLN A 25 -9.411 -6.498 5.466 1.00 0.00 C ATOM 62 OE1 GLN A 25 -8.972 -7.648 5.476 1.00 0.00 O ATOM 63 NE2 GLN A 25 -10.078 -5.978 6.489 1.00 0.00 N ATOM 0 H GLN A 25 -8.693 -5.403 0.617 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.448 -3.937 2.775 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.969 -6.912 3.117 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.086 -5.868 4.214 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.200 -4.557 4.591 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.054 -5.710 3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.424 -5.020 6.438 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.244 -6.536 7.326 1.00 0.00 H new ATOM 72 N LEU A 26 -5.333 -4.595 1.661 1.00 0.00 N ATOM 73 CA LEU A 26 -4.095 -4.922 0.951 1.00 0.00 C ATOM 74 C LEU A 26 -2.919 -5.058 1.917 1.00 0.00 C ATOM 75 O LEU A 26 -2.754 -4.242 2.824 1.00 0.00 O ATOM 76 CB LEU A 26 -3.815 -3.851 -0.108 1.00 0.00 C ATOM 77 CG LEU A 26 -2.567 -4.077 -0.962 1.00 0.00 C ATOM 78 CD1 LEU A 26 -2.666 -3.302 -2.268 1.00 0.00 C ATOM 79 CD2 LEU A 26 -1.330 -3.668 -0.187 1.00 0.00 C ATOM 0 H LEU A 26 -5.297 -3.729 2.199 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.219 -5.886 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.679 -3.785 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.722 -2.887 0.392 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.492 -5.137 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.769 -3.475 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.541 -3.638 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.759 -2.237 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.445 -3.832 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.398 -2.613 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.256 -4.265 0.722 1.00 0.00 H new ATOM 91 N ARG A 27 -2.098 -6.094 1.705 1.00 0.00 N ATOM 92 CA ARG A 27 -0.952 -6.361 2.575 1.00 0.00 C ATOM 93 C ARG A 27 0.280 -5.533 2.188 1.00 0.00 C ATOM 94 O ARG A 27 0.712 -5.542 1.036 1.00 0.00 O ATOM 95 CB ARG A 27 -0.607 -7.852 2.533 1.00 0.00 C ATOM 96 CG ARG A 27 -1.685 -8.753 3.113 1.00 0.00 C ATOM 97 CD ARG A 27 -1.423 -10.215 2.794 1.00 0.00 C ATOM 98 NE ARG A 27 -2.447 -11.090 3.360 1.00 0.00 N ATOM 99 CZ ARG A 27 -2.322 -12.411 3.461 1.00 0.00 C ATOM 100 NH1 ARG A 27 -1.216 -13.016 3.045 1.00 0.00 N ATOM 101 NH2 ARG A 27 -3.305 -13.131 3.984 1.00 0.00 N ATOM 0 H ARG A 27 -2.208 -6.759 0.939 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.236 -6.070 3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.423 -8.143 1.499 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.321 -8.015 3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.730 -8.618 4.194 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.657 -8.462 2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.388 -10.350 1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.446 -10.502 3.183 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.309 -10.663 3.698 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.455 -12.468 2.645 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.128 -14.029 3.126 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.156 -12.672 4.309 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.210 -14.144 4.062 1.00 0.00 H new ATOM 115 N LEU A 28 0.848 -4.829 3.169 1.00 0.00 N ATOM 116 CA LEU A 28 2.036 -3.996 2.948 1.00 0.00 C ATOM 117 C LEU A 28 3.290 -4.667 3.486 1.00 0.00 C ATOM 118 O LEU A 28 3.530 -4.634 4.689 1.00 0.00 O ATOM 119 CB LEU A 28 1.891 -2.661 3.679 1.00 0.00 C ATOM 120 CG LEU A 28 1.179 -1.548 2.917 1.00 0.00 C ATOM 121 CD1 LEU A 28 2.148 -0.861 1.972 1.00 0.00 C ATOM 122 CD2 LEU A 28 -0.024 -2.088 2.163 1.00 0.00 C ATOM 0 H LEU A 28 0.504 -4.818 4.129 1.00 0.00 H new ATOM 0 HA LEU A 28 2.123 -3.847 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.352 -2.837 4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.887 -2.309 3.949 1.00 0.00 H new ATOM 0 HG LEU A 28 0.815 -0.814 3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.630 -0.068 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.972 -0.433 2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.539 -1.588 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.514 -1.274 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.303 -2.845 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.726 -2.533 2.868 1.00 0.00 H new ATOM 134 N ARG A 29 4.104 -5.244 2.614 1.00 0.00 N ATOM 135 CA ARG A 29 5.335 -5.887 3.071 1.00 0.00 C ATOM 136 C ARG A 29 6.458 -4.863 3.099 1.00 0.00 C ATOM 137 O ARG A 29 7.042 -4.541 2.062 1.00 0.00 O ATOM 138 CB ARG A 29 5.693 -7.072 2.176 1.00 0.00 C ATOM 139 CG ARG A 29 6.934 -7.834 2.621 1.00 0.00 C ATOM 140 CD ARG A 29 8.214 -7.175 2.129 1.00 0.00 C ATOM 141 NE ARG A 29 9.382 -8.029 2.339 1.00 0.00 N ATOM 142 CZ ARG A 29 10.571 -7.808 1.785 1.00 0.00 C ATOM 143 NH1 ARG A 29 10.757 -6.766 0.984 1.00 0.00 N ATOM 144 NH2 ARG A 29 11.580 -8.633 2.032 1.00 0.00 N ATOM 0 H ARG A 29 3.944 -5.283 1.607 1.00 0.00 H new ATOM 0 HA ARG A 29 5.185 -6.274 4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.848 -7.760 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.846 -6.712 1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.952 -7.894 3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.885 -8.856 2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.119 -6.944 1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.358 -6.228 2.649 1.00 0.00 H new ATOM 0 HE ARG A 29 9.279 -8.842 2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.985 -6.128 0.790 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.672 -6.603 0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.444 -9.436 2.646 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.492 -8.464 1.608 1.00 0.00 H new ATOM 158 N LEU A 30 6.771 -4.363 4.295 1.00 0.00 N ATOM 159 CA LEU A 30 7.791 -3.338 4.441 1.00 0.00 C ATOM 160 C LEU A 30 9.193 -3.926 4.460 1.00 0.00 C ATOM 161 O LEU A 30 9.446 -4.975 5.053 1.00 0.00 O ATOM 162 CB LEU A 30 7.519 -2.505 5.690 1.00 0.00 C ATOM 163 CG LEU A 30 6.450 -1.407 5.568 1.00 0.00 C ATOM 164 CD1 LEU A 30 7.011 -0.182 4.861 1.00 0.00 C ATOM 165 CD2 LEU A 30 5.192 -1.928 4.881 1.00 0.00 C ATOM 0 H LEU A 30 6.332 -4.653 5.169 1.00 0.00 H new ATOM 0 HA LEU A 30 7.741 -2.686 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.222 -3.181 6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.454 -2.037 5.997 1.00 0.00 H new ATOM 0 HG LEU A 30 6.162 -1.105 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.237 0.581 4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.855 0.211 5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.344 -0.460 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.457 -1.126 4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.443 -2.279 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.776 -2.752 5.460 1.00 0.00 H new ATOM 177 N SER A 31 10.095 -3.212 3.796 1.00 0.00 N ATOM 178 CA SER A 31 11.492 -3.619 3.665 1.00 0.00 C ATOM 179 C SER A 31 12.138 -3.879 5.017 1.00 0.00 C ATOM 180 O SER A 31 13.089 -4.653 5.117 1.00 0.00 O ATOM 181 CB SER A 31 12.281 -2.548 2.910 1.00 0.00 C ATOM 182 OG SER A 31 12.246 -1.309 3.598 1.00 0.00 O ATOM 0 H SER A 31 9.878 -2.330 3.331 1.00 0.00 H new ATOM 0 HA SER A 31 11.510 -4.553 3.104 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.315 -2.871 2.789 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.866 -2.424 1.910 1.00 0.00 H new ATOM 0 HG SER A 31 12.759 -0.642 3.096 1.00 0.00 H new ATOM 188 N THR A 32 11.630 -3.228 6.054 1.00 0.00 N ATOM 189 CA THR A 32 12.170 -3.411 7.392 1.00 0.00 C ATOM 190 C THR A 32 11.579 -4.659 8.035 1.00 0.00 C ATOM 191 O THR A 32 11.934 -5.023 9.156 1.00 0.00 O ATOM 192 CB THR A 32 11.881 -2.194 8.291 1.00 0.00 C ATOM 193 OG1 THR A 32 12.438 -2.403 9.594 1.00 0.00 O ATOM 194 CG2 THR A 32 10.385 -1.947 8.409 1.00 0.00 C ATOM 0 H THR A 32 10.850 -2.573 5.995 1.00 0.00 H new ATOM 0 HA THR A 32 13.250 -3.521 7.294 1.00 0.00 H new ATOM 0 HB THR A 32 12.342 -1.318 7.834 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.552 -3.364 9.751 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.208 -1.082 9.049 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.968 -1.757 7.420 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.905 -2.824 8.843 1.00 0.00 H new ATOM 202 N GLY A 33 10.673 -5.310 7.311 1.00 0.00 N ATOM 203 CA GLY A 33 10.030 -6.498 7.819 1.00 0.00 C ATOM 204 C GLY A 33 8.719 -6.136 8.461 1.00 0.00 C ATOM 205 O GLY A 33 8.348 -6.676 9.502 1.00 0.00 O ATOM 0 H GLY A 33 10.375 -5.030 6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.864 -7.207 7.008 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.677 -6.990 8.545 1.00 0.00 H new ATOM 209 N LYS A 34 8.016 -5.207 7.823 1.00 0.00 N ATOM 210 CA LYS A 34 6.751 -4.727 8.339 1.00 0.00 C ATOM 211 C LYS A 34 5.614 -5.002 7.357 1.00 0.00 C ATOM 212 O LYS A 34 5.314 -4.204 6.473 1.00 0.00 O ATOM 213 CB LYS A 34 6.908 -3.236 8.714 1.00 0.00 C ATOM 214 CG LYS A 34 5.675 -2.364 8.550 1.00 0.00 C ATOM 215 CD LYS A 34 4.734 -2.500 9.731 1.00 0.00 C ATOM 216 CE LYS A 34 3.987 -3.815 9.683 1.00 0.00 C ATOM 217 NZ LYS A 34 3.144 -4.018 10.893 1.00 0.00 N ATOM 0 H LYS A 34 8.306 -4.774 6.946 1.00 0.00 H new ATOM 0 HA LYS A 34 6.475 -5.269 9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.232 -3.178 9.753 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.708 -2.814 8.106 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.977 -1.322 8.443 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.153 -2.640 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.300 -2.433 10.660 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.023 -1.674 9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.358 -3.843 8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.700 -4.635 9.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.572 -4.879 10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.755 -4.118 11.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.516 -3.199 11.020 1.00 0.00 H new ATOM 231 N ASP A 35 4.998 -6.171 7.524 1.00 0.00 N ATOM 232 CA ASP A 35 3.894 -6.603 6.679 1.00 0.00 C ATOM 233 C ASP A 35 2.571 -6.466 7.420 1.00 0.00 C ATOM 234 O ASP A 35 2.235 -7.282 8.276 1.00 0.00 O ATOM 235 CB ASP A 35 4.101 -8.055 6.241 1.00 0.00 C ATOM 236 CG ASP A 35 4.194 -9.005 7.419 1.00 0.00 C ATOM 237 OD1 ASP A 35 5.314 -9.203 7.935 1.00 0.00 O ATOM 238 OD2 ASP A 35 3.147 -9.552 7.825 1.00 0.00 O ATOM 0 H ASP A 35 5.252 -6.842 8.249 1.00 0.00 H new ATOM 0 HA ASP A 35 3.866 -5.967 5.794 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.276 -8.359 5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.012 -8.126 5.647 1.00 0.00 H new ATOM 243 N LEU A 36 1.829 -5.423 7.081 1.00 0.00 N ATOM 244 CA LEU A 36 0.544 -5.159 7.700 1.00 0.00 C ATOM 245 C LEU A 36 -0.459 -4.760 6.634 1.00 0.00 C ATOM 246 O LEU A 36 -0.242 -3.807 5.886 1.00 0.00 O ATOM 247 CB LEU A 36 0.667 -4.053 8.751 1.00 0.00 C ATOM 248 CG LEU A 36 -0.562 -3.858 9.645 1.00 0.00 C ATOM 249 CD1 LEU A 36 -0.218 -2.984 10.841 1.00 0.00 C ATOM 250 CD2 LEU A 36 -1.712 -3.246 8.857 1.00 0.00 C ATOM 0 H LEU A 36 2.100 -4.741 6.373 1.00 0.00 H new ATOM 0 HA LEU A 36 0.200 -6.065 8.199 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.526 -4.272 9.385 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.878 -3.113 8.242 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.877 -4.837 10.007 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.103 -2.856 11.465 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.571 -3.459 11.424 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.124 -2.009 10.493 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.574 -3.117 9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.407 -2.277 8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.979 -3.906 8.032 1.00 0.00 H new ATOM 262 N LYS A 37 -1.549 -5.499 6.563 1.00 0.00 N ATOM 263 CA LYS A 37 -2.580 -5.229 5.583 1.00 0.00 C ATOM 264 C LYS A 37 -3.510 -4.121 6.061 1.00 0.00 C ATOM 265 O LYS A 37 -4.260 -4.292 7.024 1.00 0.00 O ATOM 266 CB LYS A 37 -3.352 -6.511 5.289 1.00 0.00 C ATOM 267 CG LYS A 37 -4.686 -6.294 4.591 1.00 0.00 C ATOM 268 CD LYS A 37 -5.364 -7.613 4.258 1.00 0.00 C ATOM 269 CE LYS A 37 -6.175 -8.137 5.432 1.00 0.00 C ATOM 270 NZ LYS A 37 -5.310 -8.608 6.548 1.00 0.00 N ATOM 0 H LYS A 37 -1.743 -6.292 7.174 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.113 -4.883 4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.733 -7.160 4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.528 -7.038 6.227 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.339 -5.700 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.530 -5.723 3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.016 -7.480 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.611 -8.349 3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.836 -7.350 5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.810 -8.957 5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.753 -9.429 7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.379 -8.882 6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.193 -7.843 7.243 1.00 0.00 H new ATOM 284 N LEU A 38 -3.449 -2.986 5.377 1.00 0.00 N ATOM 285 CA LEU A 38 -4.278 -1.839 5.719 1.00 0.00 C ATOM 286 C LEU A 38 -5.654 -1.958 5.070 1.00 0.00 C ATOM 287 O LEU A 38 -5.774 -2.353 3.907 1.00 0.00 O ATOM 288 CB LEU A 38 -3.589 -0.539 5.279 1.00 0.00 C ATOM 289 CG LEU A 38 -4.514 0.667 5.086 1.00 0.00 C ATOM 290 CD1 LEU A 38 -5.050 1.149 6.425 1.00 0.00 C ATOM 291 CD2 LEU A 38 -3.776 1.786 4.372 1.00 0.00 C ATOM 0 H LEU A 38 -2.831 -2.835 4.579 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.411 -1.817 6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.834 -0.280 6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.065 -0.726 4.342 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.360 0.361 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.705 2.006 6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.612 0.346 6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.218 1.441 7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.444 2.637 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.914 2.090 4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.440 1.435 3.396 1.00 0.00 H new ATOM 303 N VAL A 39 -6.687 -1.623 5.836 1.00 0.00 N ATOM 304 CA VAL A 39 -8.053 -1.668 5.340 1.00 0.00 C ATOM 305 C VAL A 39 -8.291 -0.537 4.347 1.00 0.00 C ATOM 306 O VAL A 39 -7.995 0.624 4.634 1.00 0.00 O ATOM 307 CB VAL A 39 -9.076 -1.565 6.490 1.00 0.00 C ATOM 308 CG1 VAL A 39 -8.924 -0.245 7.231 1.00 0.00 C ATOM 309 CG2 VAL A 39 -10.493 -1.728 5.961 1.00 0.00 C ATOM 0 H VAL A 39 -6.601 -1.317 6.805 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.190 -2.628 4.843 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.880 -2.372 7.196 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.655 -0.194 8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.919 -0.175 7.647 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.088 0.581 6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.201 -1.652 6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.701 -0.945 5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.594 -2.703 5.485 1.00 0.00 H new ATOM 319 N VAL A 40 -8.824 -0.878 3.183 1.00 0.00 N ATOM 320 CA VAL A 40 -9.087 0.109 2.149 1.00 0.00 C ATOM 321 C VAL A 40 -10.371 -0.221 1.404 1.00 0.00 C ATOM 322 O VAL A 40 -10.911 -1.320 1.537 1.00 0.00 O ATOM 323 CB VAL A 40 -7.919 0.188 1.148 1.00 0.00 C ATOM 324 CG1 VAL A 40 -6.654 0.667 1.838 1.00 0.00 C ATOM 325 CG2 VAL A 40 -7.693 -1.160 0.488 1.00 0.00 C ATOM 0 H VAL A 40 -9.083 -1.832 2.932 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.196 1.076 2.639 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.178 0.910 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.841 0.716 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.823 1.657 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.389 -0.028 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.864 -1.086 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.457 -1.903 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.596 -1.460 -0.044 1.00 0.00 H new ATOM 335 N ARG A 41 -10.860 0.731 0.621 1.00 0.00 N ATOM 336 CA ARG A 41 -12.086 0.530 -0.133 1.00 0.00 C ATOM 337 C ARG A 41 -12.091 1.361 -1.412 1.00 0.00 C ATOM 338 O ARG A 41 -12.393 2.549 -1.378 1.00 0.00 O ATOM 339 CB ARG A 41 -13.286 0.893 0.741 1.00 0.00 C ATOM 340 CG ARG A 41 -14.635 0.512 0.145 1.00 0.00 C ATOM 341 CD ARG A 41 -15.042 1.442 -0.989 1.00 0.00 C ATOM 342 NE ARG A 41 -16.450 1.280 -1.347 1.00 0.00 N ATOM 343 CZ ARG A 41 -17.063 2.002 -2.282 1.00 0.00 C ATOM 344 NH1 ARG A 41 -16.399 2.937 -2.952 1.00 0.00 N ATOM 345 NH2 ARG A 41 -18.344 1.790 -2.548 1.00 0.00 N ATOM 0 H ARG A 41 -10.427 1.646 0.493 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.149 -0.520 -0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.178 0.402 1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.274 1.967 0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.591 -0.512 -0.225 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.396 0.537 0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.859 2.475 -0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.420 1.244 -1.862 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.994 0.573 -0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.413 3.105 -2.751 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.875 3.487 -3.667 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.859 1.074 -2.036 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.814 2.343 -3.264 1.00 0.00 H new ATOM 359 N SER A 42 -11.745 0.709 -2.525 1.00 0.00 N ATOM 360 CA SER A 42 -11.698 1.313 -3.870 1.00 0.00 C ATOM 361 C SER A 42 -11.330 2.804 -3.898 1.00 0.00 C ATOM 362 O SER A 42 -10.474 3.211 -4.682 1.00 0.00 O ATOM 363 CB SER A 42 -13.046 1.113 -4.567 1.00 0.00 C ATOM 364 OG SER A 42 -13.405 -0.258 -4.601 1.00 0.00 O ATOM 0 H SER A 42 -11.483 -0.277 -2.522 1.00 0.00 H new ATOM 0 HA SER A 42 -10.893 0.798 -4.394 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.816 1.681 -4.045 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.995 1.504 -5.583 1.00 0.00 H new ATOM 0 HG SER A 42 -14.212 -0.371 -5.146 1.00 0.00 H new ATOM 370 N THR A 43 -11.965 3.617 -3.062 1.00 0.00 N ATOM 371 CA THR A 43 -11.656 5.039 -3.010 1.00 0.00 C ATOM 372 C THR A 43 -10.292 5.267 -2.366 1.00 0.00 C ATOM 373 O THR A 43 -9.682 6.323 -2.533 1.00 0.00 O ATOM 374 CB THR A 43 -12.726 5.819 -2.222 1.00 0.00 C ATOM 375 OG1 THR A 43 -14.021 5.575 -2.783 1.00 0.00 O ATOM 376 CG2 THR A 43 -12.436 7.314 -2.241 1.00 0.00 C ATOM 0 H THR A 43 -12.693 3.317 -2.414 1.00 0.00 H new ATOM 0 HA THR A 43 -11.642 5.406 -4.036 1.00 0.00 H new ATOM 0 HB THR A 43 -12.704 5.475 -1.188 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.696 6.073 -2.276 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.206 7.841 -1.678 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.463 7.502 -1.788 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.432 7.671 -3.271 1.00 0.00 H new ATOM 384 N ASP A 44 -9.821 4.263 -1.630 1.00 0.00 N ATOM 385 CA ASP A 44 -8.533 4.339 -0.961 1.00 0.00 C ATOM 386 C ASP A 44 -7.388 4.095 -1.942 1.00 0.00 C ATOM 387 O ASP A 44 -6.696 5.029 -2.344 1.00 0.00 O ATOM 388 CB ASP A 44 -8.481 3.324 0.178 1.00 0.00 C ATOM 389 CG ASP A 44 -9.141 3.839 1.442 1.00 0.00 C ATOM 390 OD1 ASP A 44 -10.360 3.622 1.607 1.00 0.00 O ATOM 391 OD2 ASP A 44 -8.439 4.460 2.267 1.00 0.00 O ATOM 0 H ASP A 44 -10.318 3.384 -1.484 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.416 5.343 -0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.973 2.404 -0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.442 3.073 0.390 1.00 0.00 H new ATOM 396 N THR A 45 -7.192 2.835 -2.323 1.00 0.00 N ATOM 397 CA THR A 45 -6.131 2.472 -3.261 1.00 0.00 C ATOM 398 C THR A 45 -4.758 2.865 -2.722 1.00 0.00 C ATOM 399 O THR A 45 -4.650 3.742 -1.874 1.00 0.00 O ATOM 400 CB THR A 45 -6.339 3.140 -4.635 1.00 0.00 C ATOM 401 OG1 THR A 45 -5.935 4.514 -4.583 1.00 0.00 O ATOM 402 CG2 THR A 45 -7.796 3.054 -5.057 1.00 0.00 C ATOM 0 H THR A 45 -7.753 2.048 -1.997 1.00 0.00 H new ATOM 0 HA THR A 45 -6.176 1.389 -3.380 1.00 0.00 H new ATOM 0 HB THR A 45 -5.728 2.612 -5.367 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.968 4.830 -3.656 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.922 3.531 -6.029 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.094 2.008 -5.125 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.419 3.562 -4.320 1.00 0.00 H new ATOM 410 N VAL A 46 -3.722 2.205 -3.230 1.00 0.00 N ATOM 411 CA VAL A 46 -2.332 2.434 -2.824 1.00 0.00 C ATOM 412 C VAL A 46 -2.071 3.858 -2.302 1.00 0.00 C ATOM 413 O VAL A 46 -1.267 4.045 -1.392 1.00 0.00 O ATOM 414 CB VAL A 46 -1.364 2.093 -3.981 1.00 0.00 C ATOM 415 CG1 VAL A 46 -0.098 2.930 -3.916 1.00 0.00 C ATOM 416 CG2 VAL A 46 -1.021 0.604 -3.950 1.00 0.00 C ATOM 0 H VAL A 46 -3.822 1.485 -3.946 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.145 1.763 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.864 2.328 -4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.558 2.663 -4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.357 3.987 -3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.414 2.742 -2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.339 0.371 -4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.546 0.360 -3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.933 0.018 -4.060 1.00 0.00 H new ATOM 426 N PHE A 47 -2.738 4.854 -2.878 1.00 0.00 N ATOM 427 CA PHE A 47 -2.567 6.239 -2.434 1.00 0.00 C ATOM 428 C PHE A 47 -3.042 6.372 -1.003 1.00 0.00 C ATOM 429 O PHE A 47 -2.237 6.569 -0.095 1.00 0.00 O ATOM 430 CB PHE A 47 -3.335 7.196 -3.343 1.00 0.00 C ATOM 431 CG PHE A 47 -3.232 8.637 -2.929 1.00 0.00 C ATOM 432 CD1 PHE A 47 -2.173 9.420 -3.359 1.00 0.00 C ATOM 433 CD2 PHE A 47 -4.195 9.207 -2.113 1.00 0.00 C ATOM 434 CE1 PHE A 47 -2.077 10.746 -2.982 1.00 0.00 C ATOM 435 CE2 PHE A 47 -4.105 10.532 -1.732 1.00 0.00 C ATOM 436 CZ PHE A 47 -3.044 11.302 -2.167 1.00 0.00 C ATOM 0 H PHE A 47 -3.397 4.733 -3.647 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.510 6.501 -2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.962 7.093 -4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.385 6.905 -3.357 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.414 8.989 -3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.026 8.609 -1.770 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.247 11.347 -3.324 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.863 10.965 -1.095 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.970 12.338 -1.870 1.00 0.00 H new ATOM 446 N HIS A 48 -4.349 6.274 -0.795 1.00 0.00 N ATOM 447 CA HIS A 48 -4.878 6.338 0.553 1.00 0.00 C ATOM 448 C HIS A 48 -4.236 5.225 1.355 1.00 0.00 C ATOM 449 O HIS A 48 -3.891 5.387 2.523 1.00 0.00 O ATOM 450 CB HIS A 48 -6.382 6.185 0.559 1.00 0.00 C ATOM 451 CG HIS A 48 -7.105 7.315 -0.108 1.00 0.00 C ATOM 452 ND1 HIS A 48 -7.391 7.337 -1.457 1.00 0.00 N ATOM 453 CD2 HIS A 48 -7.601 8.470 0.397 1.00 0.00 C ATOM 454 CE1 HIS A 48 -8.032 8.453 -1.752 1.00 0.00 C ATOM 455 NE2 HIS A 48 -8.172 9.158 -0.645 1.00 0.00 N ATOM 0 H HIS A 48 -5.047 6.152 -1.529 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.650 7.310 0.991 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.645 5.252 0.060 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.726 6.104 1.590 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -7.145 6.605 -2.123 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.556 8.790 1.427 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.382 8.740 -2.732 1.00 0.00 H new ATOM 464 N MET A 49 -4.095 4.076 0.700 1.00 0.00 N ATOM 465 CA MET A 49 -3.425 2.932 1.290 1.00 0.00 C ATOM 466 C MET A 49 -2.135 3.419 1.926 1.00 0.00 C ATOM 467 O MET A 49 -1.802 3.091 3.063 1.00 0.00 O ATOM 468 CB MET A 49 -3.090 1.914 0.205 1.00 0.00 C ATOM 469 CG MET A 49 -2.709 0.546 0.735 1.00 0.00 C ATOM 470 SD MET A 49 -1.726 -0.389 -0.451 1.00 0.00 S ATOM 471 CE MET A 49 -0.251 0.625 -0.540 1.00 0.00 C ATOM 0 H MET A 49 -4.440 3.917 -0.246 1.00 0.00 H new ATOM 0 HA MET A 49 -4.070 2.463 2.033 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.950 1.809 -0.457 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.268 2.300 -0.398 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.147 0.660 1.662 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.613 -0.013 0.977 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.595 0.010 -0.848 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.402 1.424 -1.266 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.047 1.058 0.439 1.00 0.00 H new ATOM 481 N LYS A 50 -1.427 4.229 1.149 1.00 0.00 N ATOM 482 CA LYS A 50 -0.180 4.832 1.573 1.00 0.00 C ATOM 483 C LYS A 50 -0.474 5.895 2.619 1.00 0.00 C ATOM 484 O LYS A 50 0.299 6.095 3.556 1.00 0.00 O ATOM 485 CB LYS A 50 0.554 5.439 0.368 1.00 0.00 C ATOM 486 CG LYS A 50 1.602 6.482 0.732 1.00 0.00 C ATOM 487 CD LYS A 50 1.020 7.888 0.738 1.00 0.00 C ATOM 488 CE LYS A 50 0.637 8.342 -0.663 1.00 0.00 C ATOM 489 NZ LYS A 50 0.160 9.753 -0.678 1.00 0.00 N ATOM 0 H LYS A 50 -1.708 4.484 0.202 1.00 0.00 H new ATOM 0 HA LYS A 50 0.467 4.071 2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.036 4.637 -0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.179 5.895 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.015 6.255 1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.427 6.433 0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.142 7.916 1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.747 8.582 1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.497 8.242 -1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.144 7.690 -1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.531 9.878 -1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.289 9.977 0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.967 10.391 -0.833 1.00 0.00 H new ATOM 503 N ARG A 51 -1.607 6.579 2.448 1.00 0.00 N ATOM 504 CA ARG A 51 -2.015 7.608 3.388 1.00 0.00 C ATOM 505 C ARG A 51 -2.111 7.010 4.788 1.00 0.00 C ATOM 506 O ARG A 51 -1.323 7.334 5.688 1.00 0.00 O ATOM 507 CB ARG A 51 -3.356 8.228 2.987 1.00 0.00 C ATOM 508 CG ARG A 51 -3.269 9.120 1.758 1.00 0.00 C ATOM 509 CD ARG A 51 -2.416 10.351 2.021 1.00 0.00 C ATOM 510 NE ARG A 51 -2.961 11.175 3.098 1.00 0.00 N ATOM 511 CZ ARG A 51 -2.435 12.334 3.484 1.00 0.00 C ATOM 512 NH1 ARG A 51 -1.351 12.812 2.887 1.00 0.00 N ATOM 513 NH2 ARG A 51 -2.996 13.019 4.472 1.00 0.00 N ATOM 0 H ARG A 51 -2.251 6.435 1.670 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.266 8.400 3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.074 7.430 2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.742 8.811 3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.848 8.555 0.926 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.271 9.428 1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.403 10.042 2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.346 10.945 1.110 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.794 10.841 3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.915 12.290 2.127 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.953 13.702 3.188 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.830 12.657 4.935 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.594 13.908 4.769 1.00 0.00 H new ATOM 527 N ARG A 52 -3.078 6.115 4.959 1.00 0.00 N ATOM 528 CA ARG A 52 -3.269 5.445 6.231 1.00 0.00 C ATOM 529 C ARG A 52 -2.011 4.665 6.596 1.00 0.00 C ATOM 530 O ARG A 52 -1.786 4.356 7.763 1.00 0.00 O ATOM 531 CB ARG A 52 -4.478 4.511 6.175 1.00 0.00 C ATOM 532 CG ARG A 52 -5.309 4.514 7.448 1.00 0.00 C ATOM 533 CD ARG A 52 -4.488 4.086 8.654 1.00 0.00 C ATOM 534 NE ARG A 52 -5.300 3.998 9.865 1.00 0.00 N ATOM 535 CZ ARG A 52 -4.878 3.453 11.004 1.00 0.00 C ATOM 536 NH1 ARG A 52 -3.650 2.957 11.094 1.00 0.00 N ATOM 537 NH2 ARG A 52 -5.685 3.406 12.055 1.00 0.00 N ATOM 0 H ARG A 52 -3.738 5.840 4.232 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.458 6.196 6.998 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.112 4.801 5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.133 3.496 5.978 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.712 5.512 7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.160 3.843 7.329 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.028 3.118 8.455 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.677 4.797 8.812 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.247 4.377 9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.025 2.992 10.288 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.331 2.540 11.969 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.629 3.787 11.991 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.362 2.988 12.928 1.00 0.00 H new ATOM 551 N LEU A 53 -1.193 4.335 5.588 1.00 0.00 N ATOM 552 CA LEU A 53 0.054 3.620 5.838 1.00 0.00 C ATOM 553 C LEU A 53 0.952 4.457 6.737 1.00 0.00 C ATOM 554 O LEU A 53 1.340 4.023 7.821 1.00 0.00 O ATOM 555 CB LEU A 53 0.764 3.298 4.524 1.00 0.00 C ATOM 556 CG LEU A 53 0.903 1.806 4.212 1.00 0.00 C ATOM 557 CD1 LEU A 53 1.905 1.153 5.153 1.00 0.00 C ATOM 558 CD2 LEU A 53 -0.450 1.114 4.306 1.00 0.00 C ATOM 0 H LEU A 53 -1.373 4.550 4.607 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.173 2.679 6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.221 3.775 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.759 3.743 4.547 1.00 0.00 H new ATOM 0 HG LEU A 53 1.273 1.701 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.990 0.093 4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.878 1.630 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.566 1.268 6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.333 0.054 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.848 1.229 5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.139 1.563 3.590 1.00 0.00 H new ATOM 570 N HIS A 54 1.282 5.664 6.279 1.00 0.00 N ATOM 571 CA HIS A 54 2.098 6.576 7.064 1.00 0.00 C ATOM 572 C HIS A 54 1.524 6.692 8.468 1.00 0.00 C ATOM 573 O HIS A 54 2.259 6.743 9.454 1.00 0.00 O ATOM 574 CB HIS A 54 2.133 7.954 6.404 1.00 0.00 C ATOM 575 CG HIS A 54 2.949 8.959 7.157 1.00 0.00 C ATOM 576 ND1 HIS A 54 2.511 10.241 7.417 1.00 0.00 N ATOM 577 CD2 HIS A 54 4.183 8.867 7.707 1.00 0.00 C ATOM 578 CE1 HIS A 54 3.442 10.894 8.092 1.00 0.00 C ATOM 579 NE2 HIS A 54 4.465 10.081 8.281 1.00 0.00 N ATOM 0 H HIS A 54 0.995 6.028 5.370 1.00 0.00 H new ATOM 0 HA HIS A 54 3.115 6.187 7.118 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.535 7.854 5.396 1.00 0.00 H new ATOM 0 HB3 HIS A 54 1.113 8.327 6.306 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.826 7.999 7.696 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.377 11.917 8.431 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.326 10.317 8.774 1.00 0.00 H new ATOM 588 N ALA A 55 0.196 6.735 8.544 1.00 0.00 N ATOM 589 CA ALA A 55 -0.488 6.830 9.827 1.00 0.00 C ATOM 590 C ALA A 55 -0.480 5.490 10.564 1.00 0.00 C ATOM 591 O ALA A 55 -0.545 5.450 11.793 1.00 0.00 O ATOM 592 CB ALA A 55 -1.915 7.317 9.629 1.00 0.00 C ATOM 0 H ALA A 55 -0.424 6.706 7.735 1.00 0.00 H new ATOM 0 HA ALA A 55 0.051 7.552 10.441 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.414 7.383 10.596 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.902 8.300 9.159 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.453 6.617 8.990 1.00 0.00 H new ATOM 598 N ALA A 56 -0.398 4.395 9.808 1.00 0.00 N ATOM 599 CA ALA A 56 -0.390 3.059 10.394 1.00 0.00 C ATOM 600 C ALA A 56 0.979 2.692 10.962 1.00 0.00 C ATOM 601 O ALA A 56 1.139 2.558 12.175 1.00 0.00 O ATOM 602 CB ALA A 56 -0.821 2.031 9.359 1.00 0.00 C ATOM 0 H ALA A 56 -0.336 4.409 8.790 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.099 3.059 11.222 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.811 1.037 9.807 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.828 2.263 9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.133 2.055 8.514 1.00 0.00 H new ATOM 608 N GLU A 57 1.967 2.533 10.084 1.00 0.00 N ATOM 609 CA GLU A 57 3.312 2.164 10.515 1.00 0.00 C ATOM 610 C GLU A 57 4.173 3.393 10.812 1.00 0.00 C ATOM 611 O GLU A 57 4.847 3.446 11.840 1.00 0.00 O ATOM 612 CB GLU A 57 3.995 1.278 9.468 1.00 0.00 C ATOM 613 CG GLU A 57 3.828 1.762 8.037 1.00 0.00 C ATOM 614 CD GLU A 57 4.621 0.933 7.049 1.00 0.00 C ATOM 615 OE1 GLU A 57 5.822 1.220 6.868 1.00 0.00 O ATOM 616 OE2 GLU A 57 4.043 -0.003 6.458 1.00 0.00 O ATOM 0 H GLU A 57 1.862 2.653 9.077 1.00 0.00 H new ATOM 0 HA GLU A 57 3.209 1.599 11.442 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.059 1.218 9.697 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.595 0.267 9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.772 1.732 7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.144 2.803 7.970 1.00 0.00 H new ATOM 623 N GLY A 58 4.151 4.378 9.917 1.00 0.00 N ATOM 624 CA GLY A 58 4.940 5.580 10.133 1.00 0.00 C ATOM 625 C GLY A 58 5.733 6.019 8.913 1.00 0.00 C ATOM 626 O GLY A 58 6.397 7.055 8.946 1.00 0.00 O ATOM 0 H GLY A 58 3.607 4.367 9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.276 6.390 10.434 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.629 5.408 10.960 1.00 0.00 H new ATOM 630 N VAL A 59 5.679 5.239 7.837 1.00 0.00 N ATOM 631 CA VAL A 59 6.395 5.578 6.621 1.00 0.00 C ATOM 632 C VAL A 59 5.537 6.444 5.698 1.00 0.00 C ATOM 633 O VAL A 59 4.599 5.961 5.064 1.00 0.00 O ATOM 634 CB VAL A 59 6.836 4.302 5.878 1.00 0.00 C ATOM 635 CG1 VAL A 59 7.603 4.647 4.617 1.00 0.00 C ATOM 636 CG2 VAL A 59 7.682 3.428 6.789 1.00 0.00 C ATOM 0 H VAL A 59 5.147 4.370 7.787 1.00 0.00 H new ATOM 0 HA VAL A 59 7.279 6.148 6.906 1.00 0.00 H new ATOM 0 HB VAL A 59 5.942 3.749 5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.903 3.729 4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.968 5.236 3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.490 5.224 4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.987 2.530 6.251 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.567 3.980 7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.100 3.146 7.666 1.00 0.00 H new ATOM 682 N SER A 63 8.668 8.126 2.074 1.00 0.00 N ATOM 683 CA SER A 63 9.429 7.011 2.614 1.00 0.00 C ATOM 684 C SER A 63 8.807 5.697 2.180 1.00 0.00 C ATOM 685 O SER A 63 9.490 4.692 2.024 1.00 0.00 O ATOM 686 CB SER A 63 9.467 7.092 4.141 1.00 0.00 C ATOM 687 OG SER A 63 9.910 8.367 4.571 1.00 0.00 O ATOM 0 HA SER A 63 10.448 7.063 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.474 6.893 4.544 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.130 6.321 4.533 1.00 0.00 H new ATOM 0 HG SER A 63 9.594 9.051 3.945 1.00 0.00 H new ATOM 693 N GLN A 64 7.502 5.715 1.974 1.00 0.00 N ATOM 694 CA GLN A 64 6.789 4.524 1.573 1.00 0.00 C ATOM 695 C GLN A 64 6.660 4.463 0.053 1.00 0.00 C ATOM 696 O GLN A 64 5.890 5.204 -0.557 1.00 0.00 O ATOM 697 CB GLN A 64 5.429 4.478 2.294 1.00 0.00 C ATOM 698 CG GLN A 64 4.206 4.822 1.450 1.00 0.00 C ATOM 699 CD GLN A 64 3.752 3.674 0.566 1.00 0.00 C ATOM 700 OE1 GLN A 64 4.195 3.532 -0.572 1.00 0.00 O ATOM 701 NE2 GLN A 64 2.852 2.850 1.090 1.00 0.00 N ATOM 0 H GLN A 64 6.917 6.544 2.079 1.00 0.00 H new ATOM 0 HA GLN A 64 7.347 3.635 1.867 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.292 3.477 2.703 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.466 5.165 3.139 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.387 5.112 2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.434 5.686 0.825 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.511 3.004 2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.502 2.063 0.544 1.00 0.00 H new ATOM 710 N ARG A 65 7.464 3.599 -0.557 1.00 0.00 N ATOM 711 CA ARG A 65 7.441 3.427 -2.000 1.00 0.00 C ATOM 712 C ARG A 65 6.735 2.128 -2.361 1.00 0.00 C ATOM 713 O ARG A 65 7.257 1.039 -2.125 1.00 0.00 O ATOM 714 CB ARG A 65 8.862 3.442 -2.570 1.00 0.00 C ATOM 715 CG ARG A 65 9.559 4.785 -2.419 1.00 0.00 C ATOM 716 CD ARG A 65 10.897 4.807 -3.143 1.00 0.00 C ATOM 717 NE ARG A 65 11.911 4.015 -2.452 1.00 0.00 N ATOM 718 CZ ARG A 65 13.138 3.811 -2.924 1.00 0.00 C ATOM 719 NH1 ARG A 65 13.499 4.322 -4.096 1.00 0.00 N ATOM 720 NH2 ARG A 65 14.008 3.096 -2.225 1.00 0.00 N ATOM 0 H ARG A 65 8.139 3.008 -0.072 1.00 0.00 H new ATOM 0 HA ARG A 65 6.891 4.259 -2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.454 2.675 -2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.824 3.177 -3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.919 5.574 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.714 4.998 -1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.767 4.424 -4.155 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.242 5.837 -3.234 1.00 0.00 H new ATOM 0 HE ARG A 65 11.664 3.594 -1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.834 4.874 -4.638 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.441 4.163 -4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.737 2.702 -1.324 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.948 2.940 -2.588 1.00 0.00 H new ATOM 734 N TRP A 66 5.544 2.265 -2.932 1.00 0.00 N ATOM 735 CA TRP A 66 4.720 1.122 -3.325 1.00 0.00 C ATOM 736 C TRP A 66 5.318 0.365 -4.512 1.00 0.00 C ATOM 737 O TRP A 66 5.681 0.960 -5.527 1.00 0.00 O ATOM 738 CB TRP A 66 3.306 1.601 -3.667 1.00 0.00 C ATOM 739 CG TRP A 66 3.283 2.890 -4.442 1.00 0.00 C ATOM 740 CD1 TRP A 66 3.777 3.104 -5.696 1.00 0.00 C ATOM 741 CD2 TRP A 66 2.748 4.147 -4.004 1.00 0.00 C ATOM 742 NE1 TRP A 66 3.578 4.411 -6.067 1.00 0.00 N ATOM 743 CE2 TRP A 66 2.948 5.071 -5.048 1.00 0.00 C ATOM 744 CE3 TRP A 66 2.118 4.580 -2.835 1.00 0.00 C ATOM 745 CZ2 TRP A 66 2.541 6.399 -4.956 1.00 0.00 C ATOM 746 CZ3 TRP A 66 1.715 5.900 -2.746 1.00 0.00 C ATOM 747 CH2 TRP A 66 1.928 6.795 -3.802 1.00 0.00 C ATOM 0 H TRP A 66 5.120 3.170 -3.137 1.00 0.00 H new ATOM 0 HA TRP A 66 4.684 0.431 -2.483 1.00 0.00 H new ATOM 0 HB2 TRP A 66 2.799 0.829 -4.245 1.00 0.00 H new ATOM 0 HB3 TRP A 66 2.741 1.731 -2.744 1.00 0.00 H new ATOM 0 HD1 TRP A 66 4.255 2.354 -6.308 1.00 0.00 H new ATOM 0 HE1 TRP A 66 3.855 4.823 -6.958 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.949 3.897 -2.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 2.704 7.091 -5.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.228 6.247 -1.847 1.00 0.00 H new ATOM 0 HH2 TRP A 66 1.601 7.819 -3.701 1.00 0.00 H new ATOM 758 N PHE A 67 5.377 -0.962 -4.391 1.00 0.00 N ATOM 759 CA PHE A 67 5.945 -1.809 -5.441 1.00 0.00 C ATOM 760 C PHE A 67 5.373 -3.224 -5.382 1.00 0.00 C ATOM 761 O PHE A 67 5.446 -3.888 -4.351 1.00 0.00 O ATOM 762 CB PHE A 67 7.467 -1.883 -5.308 1.00 0.00 C ATOM 763 CG PHE A 67 8.182 -0.614 -5.678 1.00 0.00 C ATOM 764 CD1 PHE A 67 8.209 -0.177 -6.992 1.00 0.00 C ATOM 765 CD2 PHE A 67 8.837 0.133 -4.713 1.00 0.00 C ATOM 766 CE1 PHE A 67 8.878 0.982 -7.337 1.00 0.00 C ATOM 767 CE2 PHE A 67 9.505 1.294 -5.052 1.00 0.00 C ATOM 768 CZ PHE A 67 9.526 1.718 -6.366 1.00 0.00 C ATOM 0 H PHE A 67 5.038 -1.474 -3.576 1.00 0.00 H new ATOM 0 HA PHE A 67 5.681 -1.359 -6.398 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.718 -2.141 -4.279 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.836 -2.692 -5.939 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.702 -0.748 -7.755 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.825 -0.196 -3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.894 1.311 -8.365 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.010 1.869 -4.290 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.049 2.624 -6.633 1.00 0.00 H new ATOM 778 N PHE A 68 4.815 -3.680 -6.497 1.00 0.00 N ATOM 779 CA PHE A 68 4.239 -5.020 -6.575 1.00 0.00 C ATOM 780 C PHE A 68 4.706 -5.738 -7.835 1.00 0.00 C ATOM 781 O PHE A 68 4.685 -5.172 -8.929 1.00 0.00 O ATOM 782 CB PHE A 68 2.715 -4.942 -6.569 1.00 0.00 C ATOM 783 CG PHE A 68 2.043 -6.285 -6.616 1.00 0.00 C ATOM 784 CD1 PHE A 68 1.743 -6.966 -5.447 1.00 0.00 C ATOM 785 CD2 PHE A 68 1.713 -6.865 -7.830 1.00 0.00 C ATOM 786 CE1 PHE A 68 1.126 -8.203 -5.489 1.00 0.00 C ATOM 787 CE2 PHE A 68 1.096 -8.100 -7.877 1.00 0.00 C ATOM 788 CZ PHE A 68 0.802 -8.770 -6.706 1.00 0.00 C ATOM 0 H PHE A 68 4.748 -3.142 -7.361 1.00 0.00 H new ATOM 0 HA PHE A 68 4.576 -5.583 -5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.390 -4.414 -5.672 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.387 -4.351 -7.424 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.994 -6.526 -4.493 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.941 -6.346 -8.749 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.898 -8.725 -4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.844 -8.542 -8.830 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.320 -9.736 -6.742 1.00 0.00 H new ATOM 798 N SER A 69 5.128 -6.988 -7.677 1.00 0.00 N ATOM 799 CA SER A 69 5.599 -7.787 -8.804 1.00 0.00 C ATOM 800 C SER A 69 6.838 -7.166 -9.450 1.00 0.00 C ATOM 801 O SER A 69 7.280 -7.611 -10.510 1.00 0.00 O ATOM 802 CB SER A 69 4.489 -7.936 -9.848 1.00 0.00 C ATOM 803 OG SER A 69 4.925 -8.716 -10.948 1.00 0.00 O ATOM 0 H SER A 69 5.154 -7.471 -6.779 1.00 0.00 H new ATOM 0 HA SER A 69 5.872 -8.771 -8.422 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.616 -8.402 -9.391 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.179 -6.951 -10.197 1.00 0.00 H new ATOM 0 HG SER A 69 5.877 -8.550 -11.110 1.00 0.00 H new ATOM 809 N GLY A 70 7.396 -6.140 -8.812 1.00 0.00 N ATOM 810 CA GLY A 70 8.576 -5.489 -9.351 1.00 0.00 C ATOM 811 C GLY A 70 8.243 -4.225 -10.119 1.00 0.00 C ATOM 812 O GLY A 70 9.000 -3.804 -10.992 1.00 0.00 O ATOM 0 H GLY A 70 7.053 -5.750 -7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.257 -5.246 -8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.101 -6.182 -10.009 1.00 0.00 H new ATOM 816 N ARG A 71 7.106 -3.620 -9.791 1.00 0.00 N ATOM 817 CA ARG A 71 6.670 -2.397 -10.454 1.00 0.00 C ATOM 818 C ARG A 71 6.034 -1.439 -9.452 1.00 0.00 C ATOM 819 O ARG A 71 5.344 -1.869 -8.527 1.00 0.00 O ATOM 820 CB ARG A 71 5.669 -2.726 -11.564 1.00 0.00 C ATOM 821 CG ARG A 71 6.229 -3.643 -12.639 1.00 0.00 C ATOM 822 CD ARG A 71 5.174 -3.991 -13.677 1.00 0.00 C ATOM 823 NE ARG A 71 5.700 -4.868 -14.720 1.00 0.00 N ATOM 824 CZ ARG A 71 4.984 -5.301 -15.756 1.00 0.00 C ATOM 825 NH1 ARG A 71 3.714 -4.940 -15.889 1.00 0.00 N ATOM 826 NH2 ARG A 71 5.539 -6.096 -16.660 1.00 0.00 N ATOM 0 H ARG A 71 6.469 -3.958 -9.069 1.00 0.00 H new ATOM 0 HA ARG A 71 7.544 -1.915 -10.892 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.790 -3.194 -11.121 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.336 -1.798 -12.028 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.076 -3.160 -13.127 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.605 -4.557 -12.180 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.330 -4.476 -13.187 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.796 -3.075 -14.131 1.00 0.00 H new ATOM 0 HE ARG A 71 6.673 -5.166 -14.651 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.282 -4.328 -15.196 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.169 -5.274 -16.684 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.515 -6.376 -16.562 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.990 -6.427 -17.453 1.00 0.00 H new ATOM 840 N PRO A 72 6.253 -0.124 -9.621 1.00 0.00 N ATOM 841 CA PRO A 72 5.689 0.887 -8.723 1.00 0.00 C ATOM 842 C PRO A 72 4.179 1.001 -8.882 1.00 0.00 C ATOM 843 O PRO A 72 3.681 1.255 -9.978 1.00 0.00 O ATOM 844 CB PRO A 72 6.369 2.185 -9.166 1.00 0.00 C ATOM 845 CG PRO A 72 6.760 1.948 -10.583 1.00 0.00 C ATOM 846 CD PRO A 72 7.070 0.479 -10.691 1.00 0.00 C ATOM 0 HA PRO A 72 5.858 0.644 -7.674 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.692 3.035 -9.080 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.239 2.406 -8.548 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.954 2.227 -11.261 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.627 2.550 -10.854 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.803 0.083 -11.671 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.132 0.281 -10.545 1.00 0.00 H new ATOM 854 N LEU A 73 3.452 0.810 -7.785 1.00 0.00 N ATOM 855 CA LEU A 73 1.992 0.887 -7.830 1.00 0.00 C ATOM 856 C LEU A 73 1.513 2.315 -8.060 1.00 0.00 C ATOM 857 O LEU A 73 2.278 3.272 -7.954 1.00 0.00 O ATOM 858 CB LEU A 73 1.375 0.358 -6.536 1.00 0.00 C ATOM 859 CG LEU A 73 1.497 -1.150 -6.311 1.00 0.00 C ATOM 860 CD1 LEU A 73 0.712 -1.925 -7.358 1.00 0.00 C ATOM 861 CD2 LEU A 73 2.951 -1.576 -6.304 1.00 0.00 C ATOM 0 H LEU A 73 3.841 0.603 -6.865 1.00 0.00 H new ATOM 0 HA LEU A 73 1.670 0.267 -8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.843 0.871 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.318 0.624 -6.524 1.00 0.00 H new ATOM 0 HG LEU A 73 1.070 -1.379 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.817 -2.994 -7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.341 -1.648 -7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.097 -1.689 -8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.014 -2.652 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.408 -1.325 -7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.478 -1.057 -5.503 1.00 0.00 H new ATOM 872 N THR A 74 0.230 2.437 -8.379 1.00 0.00 N ATOM 873 CA THR A 74 -0.395 3.729 -8.617 1.00 0.00 C ATOM 874 C THR A 74 -1.402 4.057 -7.518 1.00 0.00 C ATOM 875 O THR A 74 -1.570 3.297 -6.570 1.00 0.00 O ATOM 876 CB THR A 74 -1.112 3.763 -9.980 1.00 0.00 C ATOM 877 OG1 THR A 74 -2.092 2.720 -10.046 1.00 0.00 O ATOM 878 CG2 THR A 74 -0.116 3.605 -11.119 1.00 0.00 C ATOM 0 H THR A 74 -0.404 1.644 -8.479 1.00 0.00 H new ATOM 0 HA THR A 74 0.401 4.474 -8.616 1.00 0.00 H new ATOM 0 HB THR A 74 -1.606 4.729 -10.082 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.544 2.750 -10.915 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.645 3.632 -12.072 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.609 4.418 -11.084 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.403 2.652 -11.019 1.00 0.00 H new ATOM 886 N ASP A 75 -2.070 5.191 -7.668 1.00 0.00 N ATOM 887 CA ASP A 75 -3.065 5.654 -6.707 1.00 0.00 C ATOM 888 C ASP A 75 -4.456 5.140 -7.061 1.00 0.00 C ATOM 889 O ASP A 75 -5.462 5.764 -6.723 1.00 0.00 O ATOM 890 CB ASP A 75 -3.078 7.184 -6.673 1.00 0.00 C ATOM 891 CG ASP A 75 -3.307 7.791 -8.044 1.00 0.00 C ATOM 892 OD1 ASP A 75 -4.481 8.013 -8.406 1.00 0.00 O ATOM 893 OD2 ASP A 75 -2.312 8.042 -8.756 1.00 0.00 O ATOM 0 H ASP A 75 -1.938 5.819 -8.461 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.795 5.264 -5.726 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.860 7.523 -5.993 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.130 7.544 -6.273 1.00 0.00 H new ATOM 898 N LYS A 76 -4.509 4.003 -7.744 1.00 0.00 N ATOM 899 CA LYS A 76 -5.774 3.409 -8.149 1.00 0.00 C ATOM 900 C LYS A 76 -5.617 1.909 -8.346 1.00 0.00 C ATOM 901 O LYS A 76 -6.244 1.316 -9.223 1.00 0.00 O ATOM 902 CB LYS A 76 -6.262 4.058 -9.444 1.00 0.00 C ATOM 903 CG LYS A 76 -6.729 5.495 -9.270 1.00 0.00 C ATOM 904 CD LYS A 76 -7.886 5.593 -8.286 1.00 0.00 C ATOM 905 CE LYS A 76 -9.076 4.761 -8.735 1.00 0.00 C ATOM 906 NZ LYS A 76 -10.215 4.860 -7.781 1.00 0.00 N ATOM 0 H LYS A 76 -3.686 3.473 -8.029 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.509 3.582 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.457 4.033 -10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.082 3.466 -9.850 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.899 6.108 -8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.036 5.898 -10.235 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.557 5.257 -7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.189 6.635 -8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.399 5.093 -9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.774 3.718 -8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.006 4.278 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.915 4.520 -6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.521 5.851 -7.707 1.00 0.00 H new ATOM 920 N MET A 77 -4.772 1.304 -7.520 1.00 0.00 N ATOM 921 CA MET A 77 -4.511 -0.129 -7.612 1.00 0.00 C ATOM 922 C MET A 77 -5.520 -0.970 -6.837 1.00 0.00 C ATOM 923 O MET A 77 -5.881 -2.061 -7.280 1.00 0.00 O ATOM 924 CB MET A 77 -3.102 -0.442 -7.114 1.00 0.00 C ATOM 925 CG MET A 77 -2.010 0.100 -8.012 1.00 0.00 C ATOM 926 SD MET A 77 -2.146 -0.504 -9.708 1.00 0.00 S ATOM 927 CE MET A 77 -0.599 0.068 -10.405 1.00 0.00 C ATOM 0 H MET A 77 -4.256 1.781 -6.780 1.00 0.00 H new ATOM 0 HA MET A 77 -4.608 -0.394 -8.665 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.978 -0.027 -6.114 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.987 -1.522 -7.027 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.052 1.189 -8.013 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.038 -0.181 -7.607 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.798 0.845 -11.143 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.030 0.473 -9.612 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.086 -0.765 -10.885 1.00 0.00 H new ATOM 937 N LYS A 78 -6.007 -0.471 -5.703 1.00 0.00 N ATOM 938 CA LYS A 78 -6.943 -1.256 -4.908 1.00 0.00 C ATOM 939 C LYS A 78 -8.181 -1.609 -5.722 1.00 0.00 C ATOM 940 O LYS A 78 -8.471 -2.786 -5.951 1.00 0.00 O ATOM 941 CB LYS A 78 -7.355 -0.534 -3.627 1.00 0.00 C ATOM 942 CG LYS A 78 -8.324 -1.336 -2.767 1.00 0.00 C ATOM 943 CD LYS A 78 -7.648 -2.543 -2.124 1.00 0.00 C ATOM 944 CE LYS A 78 -7.559 -3.734 -3.068 1.00 0.00 C ATOM 945 NZ LYS A 78 -8.879 -4.088 -3.658 1.00 0.00 N ATOM 0 H LYS A 78 -5.777 0.447 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.425 -2.172 -4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.463 -0.308 -3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.815 0.419 -3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.736 -0.693 -1.989 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.161 -1.672 -3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.645 -2.264 -1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.202 -2.832 -1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.855 -3.508 -3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.163 -4.594 -2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.998 -5.121 -3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.638 -3.647 -3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.925 -3.744 -4.638 1.00 0.00 H new ATOM 959 N PHE A 79 -8.903 -0.585 -6.158 1.00 0.00 N ATOM 960 CA PHE A 79 -10.104 -0.786 -6.956 1.00 0.00 C ATOM 961 C PHE A 79 -9.781 -1.405 -8.320 1.00 0.00 C ATOM 962 O PHE A 79 -10.689 -1.797 -9.052 1.00 0.00 O ATOM 963 CB PHE A 79 -10.834 0.547 -7.162 1.00 0.00 C ATOM 964 CG PHE A 79 -12.030 0.449 -8.067 1.00 0.00 C ATOM 965 CD1 PHE A 79 -13.142 -0.288 -7.692 1.00 0.00 C ATOM 966 CD2 PHE A 79 -12.040 1.093 -9.293 1.00 0.00 C ATOM 967 CE1 PHE A 79 -14.242 -0.380 -8.523 1.00 0.00 C ATOM 968 CE2 PHE A 79 -13.138 1.005 -10.129 1.00 0.00 C ATOM 969 CZ PHE A 79 -14.240 0.268 -9.743 1.00 0.00 C ATOM 0 H PHE A 79 -8.678 0.392 -5.972 1.00 0.00 H new ATOM 0 HA PHE A 79 -10.746 -1.478 -6.410 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.154 0.929 -6.193 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.135 1.273 -7.576 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.149 -0.796 -6.739 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -11.180 1.671 -9.600 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -15.102 -0.958 -8.219 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.134 1.512 -11.083 1.00 0.00 H new ATOM 0 HZ PHE A 79 -15.099 0.198 -10.394 1.00 0.00 H new ATOM 979 N GLU A 80 -8.496 -1.485 -8.668 1.00 0.00 N ATOM 980 CA GLU A 80 -8.094 -2.045 -9.957 1.00 0.00 C ATOM 981 C GLU A 80 -7.858 -3.550 -9.868 1.00 0.00 C ATOM 982 O GLU A 80 -8.060 -4.276 -10.841 1.00 0.00 O ATOM 983 CB GLU A 80 -6.827 -1.350 -10.464 1.00 0.00 C ATOM 984 CG GLU A 80 -6.333 -1.879 -11.800 1.00 0.00 C ATOM 985 CD GLU A 80 -5.076 -1.177 -12.278 1.00 0.00 C ATOM 986 OE1 GLU A 80 -5.199 -0.146 -12.971 1.00 0.00 O ATOM 987 OE2 GLU A 80 -3.969 -1.660 -11.958 1.00 0.00 O ATOM 0 H GLU A 80 -7.723 -1.172 -8.081 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.909 -1.873 -10.660 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.021 -0.281 -10.556 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.037 -1.468 -9.722 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.137 -2.948 -11.713 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.118 -1.759 -12.547 1.00 0.00 H new ATOM 994 N GLU A 81 -7.430 -4.014 -8.699 1.00 0.00 N ATOM 995 CA GLU A 81 -7.155 -5.426 -8.495 1.00 0.00 C ATOM 996 C GLU A 81 -8.396 -6.107 -7.962 1.00 0.00 C ATOM 997 O GLU A 81 -8.965 -6.991 -8.599 1.00 0.00 O ATOM 998 CB GLU A 81 -5.984 -5.611 -7.526 1.00 0.00 C ATOM 999 CG GLU A 81 -5.455 -7.034 -7.473 1.00 0.00 C ATOM 1000 CD GLU A 81 -5.008 -7.542 -8.829 1.00 0.00 C ATOM 1001 OE1 GLU A 81 -5.846 -8.123 -9.551 1.00 0.00 O ATOM 1002 OE2 GLU A 81 -3.821 -7.359 -9.170 1.00 0.00 O ATOM 0 H GLU A 81 -7.267 -3.430 -7.879 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.879 -5.878 -9.448 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.174 -4.942 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.300 -5.313 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.617 -7.080 -6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.231 -7.691 -7.081 1.00 0.00 H new ATOM 1009 N LEU A 82 -8.804 -5.671 -6.773 1.00 0.00 N ATOM 1010 CA LEU A 82 -9.986 -6.191 -6.105 1.00 0.00 C ATOM 1011 C LEU A 82 -9.743 -7.586 -5.536 1.00 0.00 C ATOM 1012 O LEU A 82 -10.499 -8.052 -4.684 1.00 0.00 O ATOM 1013 CB LEU A 82 -11.184 -6.224 -7.057 1.00 0.00 C ATOM 1014 CG LEU A 82 -11.583 -4.889 -7.693 1.00 0.00 C ATOM 1015 CD1 LEU A 82 -11.593 -3.777 -6.655 1.00 0.00 C ATOM 1016 CD2 LEU A 82 -10.654 -4.546 -8.842 1.00 0.00 C ATOM 0 H LEU A 82 -8.320 -4.944 -6.247 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.207 -5.516 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.966 -6.932 -7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -12.044 -6.614 -6.512 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.593 -4.989 -8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.879 -2.839 -7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.309 -4.019 -5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.598 -3.675 -6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.954 -3.594 -9.281 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.631 -4.469 -8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.708 -5.328 -9.600 1.00 0.00 H new ATOM 1028 N LYS A 83 -8.686 -8.247 -5.998 1.00 0.00 N ATOM 1029 CA LYS A 83 -8.368 -9.591 -5.541 1.00 0.00 C ATOM 1030 C LYS A 83 -7.207 -9.580 -4.551 1.00 0.00 C ATOM 1031 O LYS A 83 -6.531 -10.591 -4.368 1.00 0.00 O ATOM 1032 CB LYS A 83 -8.010 -10.479 -6.734 1.00 0.00 C ATOM 1033 CG LYS A 83 -8.816 -10.191 -7.992 1.00 0.00 C ATOM 1034 CD LYS A 83 -10.214 -10.772 -7.904 1.00 0.00 C ATOM 1035 CE LYS A 83 -11.148 -9.852 -7.144 1.00 0.00 C ATOM 1036 NZ LYS A 83 -12.488 -10.466 -6.934 1.00 0.00 N ATOM 0 H LYS A 83 -8.036 -7.872 -6.689 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.248 -9.989 -5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.951 -10.356 -6.959 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.157 -11.522 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.878 -9.114 -8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.302 -10.608 -8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.604 -10.940 -8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.176 -11.743 -7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.707 -9.605 -6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.260 -8.916 -7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.095 -9.804 -6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.921 -10.678 -7.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.385 -11.346 -6.389 1.00 0.00 H new ATOM 1050 N ILE A 84 -6.977 -8.433 -3.923 1.00 0.00 N ATOM 1051 CA ILE A 84 -5.896 -8.297 -2.953 1.00 0.00 C ATOM 1052 C ILE A 84 -6.335 -8.641 -1.518 1.00 0.00 C ATOM 1053 O ILE A 84 -5.504 -9.047 -0.705 1.00 0.00 O ATOM 1054 CB ILE A 84 -5.303 -6.873 -2.976 1.00 0.00 C ATOM 1055 CG1 ILE A 84 -4.953 -6.469 -4.410 1.00 0.00 C ATOM 1056 CG2 ILE A 84 -4.074 -6.788 -2.085 1.00 0.00 C ATOM 1057 CD1 ILE A 84 -4.375 -5.075 -4.523 1.00 0.00 C ATOM 0 H ILE A 84 -7.524 -7.584 -4.068 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.134 -9.017 -3.252 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.052 -6.181 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.237 -7.184 -4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.850 -6.532 -5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.672 -5.775 -2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.349 -7.038 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.319 -7.490 -2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.151 -4.858 -5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.098 -4.350 -4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.459 -5.012 -3.935 1.00 0.00 H new ATOM 1069 N PRO A 85 -7.636 -8.495 -1.175 1.00 0.00 N ATOM 1070 CA PRO A 85 -8.128 -8.794 0.178 1.00 0.00 C ATOM 1071 C PRO A 85 -7.566 -10.096 0.747 1.00 0.00 C ATOM 1072 O PRO A 85 -8.052 -11.183 0.439 1.00 0.00 O ATOM 1073 CB PRO A 85 -9.636 -8.904 -0.026 1.00 0.00 C ATOM 1074 CG PRO A 85 -9.922 -7.964 -1.141 1.00 0.00 C ATOM 1075 CD PRO A 85 -8.729 -8.036 -2.058 1.00 0.00 C ATOM 0 HA PRO A 85 -7.826 -8.033 0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.931 -9.923 -0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -10.181 -8.629 0.877 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -10.835 -8.246 -1.665 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.068 -6.950 -0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.898 -8.731 -2.881 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.505 -7.066 -2.501 1.00 0.00 H new ATOM 1083 N LYS A 86 -6.533 -9.970 1.581 1.00 0.00 N ATOM 1084 CA LYS A 86 -5.897 -11.127 2.211 1.00 0.00 C ATOM 1085 C LYS A 86 -5.240 -12.045 1.183 1.00 0.00 C ATOM 1086 O LYS A 86 -4.837 -13.161 1.512 1.00 0.00 O ATOM 1087 CB LYS A 86 -6.926 -11.923 3.019 1.00 0.00 C ATOM 1088 CG LYS A 86 -7.550 -11.137 4.159 1.00 0.00 C ATOM 1089 CD LYS A 86 -8.645 -11.933 4.851 1.00 0.00 C ATOM 1090 CE LYS A 86 -8.107 -13.229 5.436 1.00 0.00 C ATOM 1091 NZ LYS A 86 -9.175 -14.017 6.111 1.00 0.00 N ATOM 0 H LYS A 86 -6.118 -9.074 1.837 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.119 -10.747 2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.716 -12.263 2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.446 -12.814 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.780 -10.870 4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.964 -10.204 3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.088 -11.331 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.439 -12.156 4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.660 -13.828 4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.315 -13.004 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.769 -14.893 6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.585 -13.455 6.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.919 -14.254 5.424 1.00 0.00 H new ATOM 1105 N ASP A 87 -5.130 -11.583 -0.058 1.00 0.00 N ATOM 1106 CA ASP A 87 -4.529 -12.391 -1.112 1.00 0.00 C ATOM 1107 C ASP A 87 -3.224 -11.787 -1.623 1.00 0.00 C ATOM 1108 O ASP A 87 -2.198 -12.466 -1.678 1.00 0.00 O ATOM 1109 CB ASP A 87 -5.515 -12.560 -2.269 1.00 0.00 C ATOM 1110 CG ASP A 87 -4.956 -13.418 -3.389 1.00 0.00 C ATOM 1111 OD1 ASP A 87 -4.314 -12.857 -4.301 1.00 0.00 O ATOM 1112 OD2 ASP A 87 -5.159 -14.649 -3.351 1.00 0.00 O ATOM 0 H ASP A 87 -5.446 -10.661 -0.357 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.295 -13.366 -0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.435 -13.010 -1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.778 -11.579 -2.664 1.00 0.00 H new ATOM 1117 N TYR A 88 -3.260 -10.508 -1.995 1.00 0.00 N ATOM 1118 CA TYR A 88 -2.074 -9.841 -2.524 1.00 0.00 C ATOM 1119 C TYR A 88 -1.424 -8.907 -1.508 1.00 0.00 C ATOM 1120 O TYR A 88 -2.064 -8.418 -0.569 1.00 0.00 O ATOM 1121 CB TYR A 88 -2.420 -9.069 -3.796 1.00 0.00 C ATOM 1122 CG TYR A 88 -2.664 -9.963 -4.991 1.00 0.00 C ATOM 1123 CD1 TYR A 88 -1.629 -10.706 -5.545 1.00 0.00 C ATOM 1124 CD2 TYR A 88 -3.924 -10.065 -5.566 1.00 0.00 C ATOM 1125 CE1 TYR A 88 -1.842 -11.526 -6.636 1.00 0.00 C ATOM 1126 CE2 TYR A 88 -4.146 -10.882 -6.658 1.00 0.00 C ATOM 1127 CZ TYR A 88 -3.102 -11.610 -7.188 1.00 0.00 C ATOM 1128 OH TYR A 88 -3.319 -12.427 -8.275 1.00 0.00 O ATOM 0 H TYR A 88 -4.090 -9.918 -1.940 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.350 -10.622 -2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.309 -8.465 -3.615 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.608 -8.380 -4.027 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.640 -10.641 -5.115 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -4.744 -9.496 -5.153 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.026 -12.098 -7.054 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.132 -10.950 -7.094 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.260 -12.373 -8.542 1.00 0.00 H new ATOM 1138 N VAL A 89 -0.137 -8.656 -1.725 1.00 0.00 N ATOM 1139 CA VAL A 89 0.644 -7.797 -0.851 1.00 0.00 C ATOM 1140 C VAL A 89 1.564 -6.884 -1.655 1.00 0.00 C ATOM 1141 O VAL A 89 2.379 -7.355 -2.449 1.00 0.00 O ATOM 1142 CB VAL A 89 1.499 -8.640 0.115 1.00 0.00 C ATOM 1143 CG1 VAL A 89 2.424 -9.565 -0.661 1.00 0.00 C ATOM 1144 CG2 VAL A 89 2.297 -7.751 1.059 1.00 0.00 C ATOM 0 H VAL A 89 0.389 -9.042 -2.509 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.058 -7.186 -0.283 1.00 0.00 H new ATOM 0 HB VAL A 89 0.826 -9.249 0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.020 -10.153 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.831 -10.234 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.085 -8.972 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.891 -8.373 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.959 -7.107 0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.614 -7.136 1.645 1.00 0.00 H new ATOM 1154 N VAL A 90 1.429 -5.578 -1.452 1.00 0.00 N ATOM 1155 CA VAL A 90 2.270 -4.618 -2.151 1.00 0.00 C ATOM 1156 C VAL A 90 3.568 -4.404 -1.397 1.00 0.00 C ATOM 1157 O VAL A 90 3.564 -4.081 -0.210 1.00 0.00 O ATOM 1158 CB VAL A 90 1.573 -3.254 -2.340 1.00 0.00 C ATOM 1159 CG1 VAL A 90 2.507 -2.268 -3.033 1.00 0.00 C ATOM 1160 CG2 VAL A 90 0.289 -3.418 -3.136 1.00 0.00 C ATOM 0 H VAL A 90 0.750 -5.164 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 90 2.470 -5.039 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 90 1.321 -2.857 -1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.999 -1.312 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.402 -2.127 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.789 -2.659 -4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.189 -2.446 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.519 -3.836 -4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.385 -4.089 -2.604 1.00 0.00 H new ATOM 1170 N GLN A 91 4.679 -4.589 -2.091 1.00 0.00 N ATOM 1171 CA GLN A 91 5.977 -4.402 -1.485 1.00 0.00 C ATOM 1172 C GLN A 91 6.249 -2.917 -1.337 1.00 0.00 C ATOM 1173 O GLN A 91 5.774 -2.109 -2.135 1.00 0.00 O ATOM 1174 CB GLN A 91 7.076 -5.065 -2.313 1.00 0.00 C ATOM 1175 CG GLN A 91 8.138 -5.734 -1.457 1.00 0.00 C ATOM 1176 CD GLN A 91 9.500 -5.754 -2.123 1.00 0.00 C ATOM 1177 OE1 GLN A 91 9.837 -6.690 -2.846 1.00 0.00 O ATOM 1178 NE2 GLN A 91 10.291 -4.715 -1.881 1.00 0.00 N ATOM 0 H GLN A 91 4.703 -4.868 -3.072 1.00 0.00 H new ATOM 0 HA GLN A 91 5.977 -4.874 -0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.628 -5.807 -2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.548 -4.315 -2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.212 -5.211 -0.503 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.831 -6.756 -1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.970 -3.960 -1.274 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.219 -4.672 -2.302 1.00 0.00 H new ATOM 1187 N VAL A 92 7.008 -2.558 -0.322 1.00 0.00 N ATOM 1188 CA VAL A 92 7.308 -1.160 -0.070 1.00 0.00 C ATOM 1189 C VAL A 92 8.787 -0.947 0.220 1.00 0.00 C ATOM 1190 O VAL A 92 9.492 -1.873 0.619 1.00 0.00 O ATOM 1191 CB VAL A 92 6.500 -0.663 1.132 1.00 0.00 C ATOM 1192 CG1 VAL A 92 5.014 -0.621 0.833 1.00 0.00 C ATOM 1193 CG2 VAL A 92 6.754 -1.562 2.297 1.00 0.00 C ATOM 0 H VAL A 92 7.428 -3.210 0.340 1.00 0.00 H new ATOM 0 HA VAL A 92 7.042 -0.602 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 92 6.819 0.354 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.476 -0.263 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.830 0.052 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.666 -1.622 0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.182 -1.214 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.450 -2.578 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.817 -1.551 2.540 1.00 0.00 H new ATOM 1203 N ILE A 93 9.252 0.279 0.016 1.00 0.00 N ATOM 1204 CA ILE A 93 10.642 0.614 0.279 1.00 0.00 C ATOM 1205 C ILE A 93 10.758 1.987 0.928 1.00 0.00 C ATOM 1206 O ILE A 93 10.260 2.984 0.403 1.00 0.00 O ATOM 1207 CB ILE A 93 11.497 0.597 -1.001 1.00 0.00 C ATOM 1208 CG1 ILE A 93 11.069 -0.547 -1.922 1.00 0.00 C ATOM 1209 CG2 ILE A 93 12.971 0.469 -0.647 1.00 0.00 C ATOM 1210 CD1 ILE A 93 11.851 -0.604 -3.216 1.00 0.00 C ATOM 0 H ILE A 93 8.687 1.055 -0.330 1.00 0.00 H new ATOM 0 HA ILE A 93 11.018 -0.151 0.958 1.00 0.00 H new ATOM 0 HB ILE A 93 11.344 1.537 -1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.188 -1.493 -1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.009 -0.441 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.565 0.458 -1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 93 13.272 1.315 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.134 -0.458 -0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.495 -1.439 -3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.713 0.327 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.910 -0.741 -2.996 1.00 0.00 H new ATOM 1222 N VAL A 94 11.418 2.021 2.076 1.00 0.00 N ATOM 1223 CA VAL A 94 11.624 3.261 2.822 1.00 0.00 C ATOM 1224 C VAL A 94 13.102 3.469 3.134 1.00 0.00 C ATOM 1225 O VAL A 94 13.641 2.891 4.077 1.00 0.00 O ATOM 1226 CB VAL A 94 10.799 3.299 4.140 1.00 0.00 C ATOM 1227 CG1 VAL A 94 10.720 1.915 4.764 1.00 0.00 C ATOM 1228 CG2 VAL A 94 11.398 4.292 5.130 1.00 0.00 C ATOM 0 H VAL A 94 11.825 1.197 2.518 1.00 0.00 H new ATOM 0 HA VAL A 94 11.273 4.072 2.183 1.00 0.00 H new ATOM 0 HB VAL A 94 9.789 3.628 3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.139 1.964 5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.239 1.229 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.726 1.559 4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.803 4.300 6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.421 3.998 5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.399 5.289 4.690 1.00 0.00 H new