USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 684 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 89 HIS : no HD1:sc= 1.04 K(o=2.3,f=-4.3!) USER MOD Set 1.2: A 119 THR OG1 : rot 81:sc= 1.3 USER MOD Set 2.1: A 22 TYR OH : rot -107:sc= 0.854 USER MOD Set 2.2: A 102 HIS : no HE2:sc= -1.33 K(o=0.25,f=-2.5!) USER MOD Set 2.3: A 105 SER OG : rot -90:sc= 0.729 USER MOD Set 3.1: A 64 MET CE :methyl -162:sc=-0.00749 (180deg=-0.0942) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.1 K(o=1.1,f=-0.37) USER MOD Set 4.1: A 28 HIS : no HD1:sc= 0.963 K(o=2.2,f=-4.6!) USER MOD Set 4.2: A 40 SER OG : rot -94:sc= 1.24 USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0.762 (180deg=0.759) USER MOD Single : A 29 SER OG : rot 119:sc= 1.07 USER MOD Single : A 41 LYS NZ :NH3+ 148:sc= 2.33 (180deg=1.08) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0.7 K(o=0.7,f=-6.3!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -155:sc= 0.152 (180deg=0.0209) USER MOD Single : A 61 SER OG : rot 162:sc= 1.38 USER MOD Single : A 65 GLN : amide:sc= 0.684 K(o=0.68,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 140:sc= 0.00656 USER MOD Single : A 71 CYS SG : rot 70:sc= -1.4 USER MOD Single : A 73 CYS SG : rot 146:sc= 0.979 USER MOD Single : A 91 TYR OH : rot 30:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 60:sc= 0.289 USER MOD Single : A 95 MET CE :methyl 170:sc= 0 (180deg=-0.0743) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0745 X(o=-0.075,f=-0.075) USER MOD Single : A 106 THR OG1 : rot 20:sc= 0.0956 USER MOD Single : A 108 LYS NZ :NH3+ -145:sc= 1.16 (180deg=0.451) USER MOD Single : A 110 LYS NZ :NH3+ -177:sc= 1.3 (180deg=1.25) USER MOD ----------------------------------------------------------------- ATOM 46 N ALA A 4 -7.896 -8.483 16.201 1.00 0.00 N ATOM 47 CA ALA A 4 -7.207 -8.673 14.928 1.00 0.00 C ATOM 48 C ALA A 4 -5.869 -9.409 15.114 1.00 0.00 C ATOM 49 O ALA A 4 -5.422 -9.664 16.234 1.00 0.00 O ATOM 50 CB ALA A 4 -6.998 -7.304 14.262 1.00 0.00 C ATOM 0 HA ALA A 4 -7.823 -9.299 14.282 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.484 -7.437 13.310 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.965 -6.832 14.089 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.397 -6.670 14.914 1.00 0.00 H new ATOM 56 N ASP A 5 -5.202 -9.697 13.996 1.00 0.00 N ATOM 57 CA ASP A 5 -3.833 -10.199 13.906 1.00 0.00 C ATOM 58 C ASP A 5 -3.299 -9.748 12.547 1.00 0.00 C ATOM 59 O ASP A 5 -4.084 -9.615 11.603 1.00 0.00 O ATOM 60 CB ASP A 5 -3.809 -11.731 13.999 1.00 0.00 C ATOM 61 CG ASP A 5 -2.378 -12.261 13.828 1.00 0.00 C ATOM 62 OD1 ASP A 5 -1.648 -12.361 14.839 1.00 0.00 O ATOM 63 OD2 ASP A 5 -1.977 -12.553 12.680 1.00 0.00 O ATOM 0 H ASP A 5 -5.628 -9.579 13.077 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.223 -9.816 14.724 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.207 -12.048 14.963 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.455 -12.157 13.231 1.00 0.00 H new ATOM 68 N LEU A 6 -1.988 -9.508 12.428 1.00 0.00 N ATOM 69 CA LEU A 6 -1.374 -8.984 11.211 1.00 0.00 C ATOM 70 C LEU A 6 -1.695 -9.833 9.980 1.00 0.00 C ATOM 71 O LEU A 6 -1.850 -9.276 8.891 1.00 0.00 O ATOM 72 CB LEU A 6 0.153 -8.885 11.379 1.00 0.00 C ATOM 73 CG LEU A 6 0.671 -7.914 12.458 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.202 -7.874 12.414 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.131 -6.492 12.279 1.00 0.00 C ATOM 0 H LEU A 6 -1.321 -9.675 13.182 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.796 -7.992 11.050 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.535 -9.880 11.606 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.582 -8.589 10.422 1.00 0.00 H new ATOM 0 HG LEU A 6 0.317 -8.283 13.421 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.570 -7.188 13.177 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.598 -8.872 12.603 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.529 -7.534 11.431 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.528 -5.850 13.066 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.438 -6.106 11.307 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.957 -6.506 12.337 1.00 0.00 H new ATOM 87 N ALA A 7 -1.812 -11.157 10.122 1.00 0.00 N ATOM 88 CA ALA A 7 -2.084 -12.053 9.008 1.00 0.00 C ATOM 89 C ALA A 7 -3.488 -11.850 8.423 1.00 0.00 C ATOM 90 O ALA A 7 -3.711 -12.173 7.255 1.00 0.00 O ATOM 91 CB ALA A 7 -1.908 -13.508 9.458 1.00 0.00 C ATOM 0 H ALA A 7 -1.719 -11.633 11.019 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.370 -11.819 8.219 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.113 -14.175 8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.885 -13.661 9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.601 -13.724 10.271 1.00 0.00 H new ATOM 97 N LEU A 8 -4.437 -11.336 9.216 1.00 0.00 N ATOM 98 CA LEU A 8 -5.822 -11.152 8.785 1.00 0.00 C ATOM 99 C LEU A 8 -5.969 -9.902 7.913 1.00 0.00 C ATOM 100 O LEU A 8 -6.907 -9.824 7.120 1.00 0.00 O ATOM 101 CB LEU A 8 -6.760 -11.037 10.002 1.00 0.00 C ATOM 102 CG LEU A 8 -6.782 -12.270 10.928 1.00 0.00 C ATOM 103 CD1 LEU A 8 -7.698 -12.001 12.127 1.00 0.00 C ATOM 104 CD2 LEU A 8 -7.256 -13.540 10.208 1.00 0.00 C ATOM 0 H LEU A 8 -4.262 -11.037 10.175 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.099 -12.026 8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.465 -10.167 10.588 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.773 -10.852 9.645 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.757 -12.440 11.258 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.711 -12.875 12.779 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.327 -11.140 12.682 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.709 -11.797 11.774 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.252 -14.377 10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.267 -13.388 9.829 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.586 -13.758 9.376 1.00 0.00 H new ATOM 116 N ILE A 9 -5.074 -8.920 8.064 1.00 0.00 N ATOM 117 CA ILE A 9 -5.150 -7.652 7.344 1.00 0.00 C ATOM 118 C ILE A 9 -4.813 -7.934 5.870 1.00 0.00 C ATOM 119 O ILE A 9 -3.767 -8.543 5.616 1.00 0.00 O ATOM 120 CB ILE A 9 -4.173 -6.609 7.944 1.00 0.00 C ATOM 121 CG1 ILE A 9 -4.236 -6.548 9.491 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.468 -5.221 7.342 1.00 0.00 C ATOM 123 CD1 ILE A 9 -3.173 -5.646 10.127 1.00 0.00 C ATOM 0 H ILE A 9 -4.274 -8.986 8.693 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.152 -7.231 7.431 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.162 -6.922 7.685 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.223 -6.194 9.790 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.125 -7.557 9.888 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.781 -4.488 7.764 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.339 -5.259 6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.493 -4.934 7.575 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.286 -5.659 11.211 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.181 -6.010 9.861 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.295 -4.626 9.762 1.00 0.00 H new ATOM 135 N PRO A 10 -5.629 -7.490 4.895 1.00 0.00 N ATOM 136 CA PRO A 10 -5.265 -7.530 3.485 1.00 0.00 C ATOM 137 C PRO A 10 -3.912 -6.859 3.259 1.00 0.00 C ATOM 138 O PRO A 10 -3.718 -5.708 3.664 1.00 0.00 O ATOM 139 CB PRO A 10 -6.375 -6.774 2.748 1.00 0.00 C ATOM 140 CG PRO A 10 -7.584 -6.934 3.665 1.00 0.00 C ATOM 141 CD PRO A 10 -6.954 -6.910 5.057 1.00 0.00 C ATOM 0 HA PRO A 10 -5.171 -8.554 3.124 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.118 -5.725 2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.561 -7.197 1.761 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.303 -6.126 3.532 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.115 -7.867 3.477 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.892 -5.892 5.442 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.549 -7.484 5.767 1.00 0.00 H new ATOM 149 N ASP A 11 -2.982 -7.535 2.589 1.00 0.00 N ATOM 150 CA ASP A 11 -1.682 -6.955 2.249 1.00 0.00 C ATOM 151 C ASP A 11 -1.765 -6.056 1.014 1.00 0.00 C ATOM 152 O ASP A 11 -1.012 -5.091 0.913 1.00 0.00 O ATOM 153 CB ASP A 11 -0.608 -8.036 2.109 1.00 0.00 C ATOM 154 CG ASP A 11 -0.607 -8.787 0.779 1.00 0.00 C ATOM 155 OD1 ASP A 11 -1.685 -9.124 0.248 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.496 -9.105 0.284 1.00 0.00 O ATOM 0 H ASP A 11 -3.105 -8.495 2.267 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.383 -6.314 3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.369 -7.574 2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.736 -8.758 2.915 1.00 0.00 H new ATOM 161 N VAL A 12 -2.757 -6.261 0.149 1.00 0.00 N ATOM 162 CA VAL A 12 -3.048 -5.398 -0.995 1.00 0.00 C ATOM 163 C VAL A 12 -4.562 -5.188 -1.053 1.00 0.00 C ATOM 164 O VAL A 12 -5.329 -6.148 -0.970 1.00 0.00 O ATOM 165 CB VAL A 12 -2.519 -6.031 -2.301 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.781 -5.133 -3.520 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.011 -6.314 -2.256 1.00 0.00 C ATOM 0 H VAL A 12 -3.397 -7.052 0.226 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.548 -4.436 -0.882 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.064 -6.970 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.393 -5.615 -4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.853 -4.972 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.282 -4.174 -3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.696 -6.758 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.470 -5.381 -2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.794 -7.004 -1.440 1.00 0.00 H new ATOM 177 N ASP A 13 -4.977 -3.929 -1.194 1.00 0.00 N ATOM 178 CA ASP A 13 -6.348 -3.520 -1.486 1.00 0.00 C ATOM 179 C ASP A 13 -6.249 -2.076 -1.962 1.00 0.00 C ATOM 180 O ASP A 13 -5.764 -1.227 -1.211 1.00 0.00 O ATOM 181 CB ASP A 13 -7.262 -3.609 -0.253 1.00 0.00 C ATOM 182 CG ASP A 13 -8.674 -3.082 -0.562 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.207 -3.359 -1.660 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.284 -2.431 0.314 1.00 0.00 O ATOM 0 H ASP A 13 -4.341 -3.136 -1.104 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.791 -4.180 -2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.324 -4.644 0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.828 -3.034 0.565 1.00 0.00 H new ATOM 189 N ILE A 14 -6.610 -1.808 -3.217 1.00 0.00 N ATOM 190 CA ILE A 14 -6.452 -0.510 -3.859 1.00 0.00 C ATOM 191 C ILE A 14 -7.665 -0.245 -4.764 1.00 0.00 C ATOM 192 O ILE A 14 -8.393 -1.171 -5.131 1.00 0.00 O ATOM 193 CB ILE A 14 -5.113 -0.417 -4.648 1.00 0.00 C ATOM 194 CG1 ILE A 14 -5.022 -1.299 -5.919 1.00 0.00 C ATOM 195 CG2 ILE A 14 -3.874 -0.612 -3.752 1.00 0.00 C ATOM 196 CD1 ILE A 14 -4.766 -2.801 -5.726 1.00 0.00 C ATOM 0 H ILE A 14 -7.031 -2.508 -3.828 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.408 0.262 -3.091 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.116 0.610 -5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.953 -1.186 -6.474 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.226 -0.901 -6.548 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.971 -0.537 -4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.858 0.158 -2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.915 -1.595 -3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.727 -3.291 -6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.817 -2.945 -5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.572 -3.234 -5.133 1.00 0.00 H new ATOM 266 N PHE A 20 -3.376 7.227 -9.890 1.00 0.00 N ATOM 267 CA PHE A 20 -3.763 7.737 -8.576 1.00 0.00 C ATOM 268 C PHE A 20 -2.778 7.230 -7.524 1.00 0.00 C ATOM 269 O PHE A 20 -2.076 6.231 -7.728 1.00 0.00 O ATOM 270 CB PHE A 20 -5.194 7.305 -8.201 1.00 0.00 C ATOM 271 CG PHE A 20 -6.294 7.781 -9.136 1.00 0.00 C ATOM 272 CD1 PHE A 20 -6.649 9.144 -9.179 1.00 0.00 C ATOM 273 CD2 PHE A 20 -6.982 6.861 -9.952 1.00 0.00 C ATOM 274 CE1 PHE A 20 -7.670 9.582 -10.041 1.00 0.00 C ATOM 275 CE2 PHE A 20 -7.999 7.299 -10.818 1.00 0.00 C ATOM 276 CZ PHE A 20 -8.344 8.662 -10.863 1.00 0.00 C ATOM 0 HA PHE A 20 -3.741 8.826 -8.613 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.225 6.216 -8.158 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.413 7.670 -7.197 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.135 9.854 -8.548 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.726 5.812 -9.912 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.937 10.628 -10.072 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.515 6.590 -11.448 1.00 0.00 H new ATOM 0 HZ PHE A 20 -9.125 9.001 -11.528 1.00 0.00 H new ATOM 286 N LYS A 21 -2.706 7.957 -6.407 1.00 0.00 N ATOM 287 CA LYS A 21 -1.717 7.747 -5.359 1.00 0.00 C ATOM 288 C LYS A 21 -1.976 6.464 -4.575 1.00 0.00 C ATOM 289 O LYS A 21 -3.111 5.995 -4.465 1.00 0.00 O ATOM 290 CB LYS A 21 -1.728 8.953 -4.404 1.00 0.00 C ATOM 291 CG LYS A 21 -1.051 10.189 -5.015 1.00 0.00 C ATOM 292 CD LYS A 21 -1.066 11.379 -4.043 1.00 0.00 C ATOM 293 CE LYS A 21 -0.211 12.518 -4.613 1.00 0.00 C ATOM 294 NZ LYS A 21 -0.257 13.745 -3.784 1.00 0.00 N ATOM 0 H LYS A 21 -3.349 8.723 -6.206 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.740 7.647 -5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.758 9.198 -4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.220 8.684 -3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.022 9.947 -5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.561 10.465 -5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.089 11.721 -3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.680 11.073 -3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.822 12.182 -4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.554 12.753 -5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.352 14.474 -4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.235 14.095 -3.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.080 13.528 -2.824 1.00 0.00 H new ATOM 308 N TYR A 22 -0.914 5.957 -3.956 1.00 0.00 N ATOM 309 CA TYR A 22 -0.924 4.872 -2.992 1.00 0.00 C ATOM 310 C TYR A 22 0.173 5.162 -1.951 1.00 0.00 C ATOM 311 O TYR A 22 1.061 5.986 -2.195 1.00 0.00 O ATOM 312 CB TYR A 22 -0.730 3.529 -3.731 1.00 0.00 C ATOM 313 CG TYR A 22 0.671 2.977 -3.623 1.00 0.00 C ATOM 314 CD1 TYR A 22 1.703 3.518 -4.406 1.00 0.00 C ATOM 315 CD2 TYR A 22 0.961 2.044 -2.614 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.034 3.154 -4.155 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.289 1.679 -2.353 1.00 0.00 C ATOM 318 CZ TYR A 22 3.331 2.234 -3.124 1.00 0.00 C ATOM 319 OH TYR A 22 4.620 1.882 -2.877 1.00 0.00 O ATOM 0 H TYR A 22 0.026 6.315 -4.126 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.876 4.797 -2.466 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.432 2.798 -3.329 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.978 3.664 -4.784 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.473 4.213 -5.200 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.159 1.607 -2.038 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.831 3.576 -4.749 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.513 0.976 -1.565 1.00 0.00 H new ATOM 0 HH TYR A 22 4.775 0.966 -3.189 1.00 0.00 H new ATOM 329 N VAL A 23 0.144 4.474 -0.810 1.00 0.00 N ATOM 330 CA VAL A 23 1.206 4.496 0.190 1.00 0.00 C ATOM 331 C VAL A 23 1.556 3.065 0.581 1.00 0.00 C ATOM 332 O VAL A 23 0.709 2.161 0.559 1.00 0.00 O ATOM 333 CB VAL A 23 0.833 5.339 1.431 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.817 6.839 1.112 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.509 4.918 2.047 1.00 0.00 C ATOM 0 H VAL A 23 -0.638 3.872 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 23 2.078 4.978 -0.251 1.00 0.00 H new ATOM 0 HB VAL A 23 1.612 5.147 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.551 7.399 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.805 7.149 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.084 7.037 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.723 5.542 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.302 5.039 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.456 3.874 2.355 1.00 0.00 H new ATOM 345 N LEU A 24 2.819 2.889 0.969 1.00 0.00 N ATOM 346 CA LEU A 24 3.337 1.651 1.518 1.00 0.00 C ATOM 347 C LEU A 24 3.347 1.884 3.023 1.00 0.00 C ATOM 348 O LEU A 24 4.027 2.808 3.479 1.00 0.00 O ATOM 349 CB LEU A 24 4.760 1.410 0.975 1.00 0.00 C ATOM 350 CG LEU A 24 5.267 -0.045 1.037 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.004 -0.760 2.367 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.651 -0.846 -0.112 1.00 0.00 C ATOM 0 H LEU A 24 3.522 3.626 0.906 1.00 0.00 H new ATOM 0 HA LEU A 24 2.747 0.774 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.793 1.742 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.453 2.040 1.533 1.00 0.00 H new ATOM 0 HG LEU A 24 6.352 0.011 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.395 -1.776 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.499 -0.220 3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.931 -0.793 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.008 -1.875 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.565 -0.835 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.941 -0.400 -1.063 1.00 0.00 H new ATOM 364 N ILE A 25 2.605 1.098 3.800 1.00 0.00 N ATOM 365 CA ILE A 25 2.510 1.279 5.244 1.00 0.00 C ATOM 366 C ILE A 25 3.004 -0.002 5.900 1.00 0.00 C ATOM 367 O ILE A 25 2.535 -1.098 5.594 1.00 0.00 O ATOM 368 CB ILE A 25 1.077 1.707 5.652 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.845 3.178 5.234 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.830 1.542 7.163 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.571 3.702 5.499 1.00 0.00 C ATOM 0 H ILE A 25 2.053 0.318 3.444 1.00 0.00 H new ATOM 0 HA ILE A 25 3.142 2.095 5.594 1.00 0.00 H new ATOM 0 HB ILE A 25 0.371 1.055 5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.557 3.809 5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.062 3.278 4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.187 1.854 7.402 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.964 0.497 7.441 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.538 2.158 7.717 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.641 4.740 5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.291 3.100 4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.789 3.639 6.565 1.00 0.00 H new ATOM 383 N ARG A 26 3.989 0.144 6.781 1.00 0.00 N ATOM 384 CA ARG A 26 4.436 -0.913 7.667 1.00 0.00 C ATOM 385 C ARG A 26 3.468 -0.943 8.842 1.00 0.00 C ATOM 386 O ARG A 26 2.956 0.102 9.244 1.00 0.00 O ATOM 387 CB ARG A 26 5.872 -0.614 8.119 1.00 0.00 C ATOM 388 CG ARG A 26 6.489 -1.799 8.881 1.00 0.00 C ATOM 389 CD ARG A 26 8.023 -1.788 8.883 1.00 0.00 C ATOM 390 NE ARG A 26 8.610 -0.552 9.438 1.00 0.00 N ATOM 391 CZ ARG A 26 9.920 -0.359 9.654 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.794 -1.344 9.457 1.00 0.00 N ATOM 393 NH2 ARG A 26 10.355 0.824 10.066 1.00 0.00 N ATOM 0 H ARG A 26 4.504 1.017 6.897 1.00 0.00 H new ATOM 0 HA ARG A 26 4.445 -1.887 7.177 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.486 -0.382 7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.876 0.270 8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.131 -1.785 9.911 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.140 -2.730 8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.382 -2.640 9.460 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.379 -1.921 7.862 1.00 0.00 H new ATOM 0 HE ARG A 26 7.974 0.210 9.674 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.470 -2.257 9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.788 -1.185 9.625 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.694 1.586 10.218 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.351 0.972 10.231 1.00 0.00 H new ATOM 407 N VAL A 27 3.261 -2.123 9.404 1.00 0.00 N ATOM 408 CA VAL A 27 2.331 -2.426 10.474 1.00 0.00 C ATOM 409 C VAL A 27 3.133 -3.264 11.475 1.00 0.00 C ATOM 410 O VAL A 27 3.999 -4.042 11.067 1.00 0.00 O ATOM 411 CB VAL A 27 1.125 -3.220 9.911 1.00 0.00 C ATOM 412 CG1 VAL A 27 -0.033 -3.253 10.915 1.00 0.00 C ATOM 413 CG2 VAL A 27 0.571 -2.684 8.576 1.00 0.00 C ATOM 0 H VAL A 27 3.775 -2.950 9.102 1.00 0.00 H new ATOM 0 HA VAL A 27 1.924 -1.531 10.945 1.00 0.00 H new ATOM 0 HB VAL A 27 1.525 -4.217 9.730 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.865 -3.817 10.493 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.298 -3.731 11.837 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.357 -2.235 11.130 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.270 -3.300 8.258 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.238 -1.655 8.707 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.353 -2.718 7.818 1.00 0.00 H new ATOM 423 N HIS A 28 2.843 -3.142 12.768 1.00 0.00 N ATOM 424 CA HIS A 28 3.527 -3.847 13.844 1.00 0.00 C ATOM 425 C HIS A 28 2.464 -4.441 14.769 1.00 0.00 C ATOM 426 O HIS A 28 1.390 -3.846 14.931 1.00 0.00 O ATOM 427 CB HIS A 28 4.414 -2.865 14.622 1.00 0.00 C ATOM 428 CG HIS A 28 5.386 -2.096 13.760 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.544 -2.585 13.203 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.277 -0.786 13.374 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.127 -1.591 12.515 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.389 -0.468 12.582 1.00 0.00 N ATOM 0 H HIS A 28 2.101 -2.529 13.105 1.00 0.00 H new ATOM 0 HA HIS A 28 4.159 -4.639 13.442 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.776 -2.157 15.152 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.973 -3.417 15.377 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.473 -0.114 13.635 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.061 -1.680 11.980 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.596 0.430 12.146 1.00 0.00 H new ATOM 440 N SER A 29 2.746 -5.598 15.373 1.00 0.00 N ATOM 441 CA SER A 29 1.816 -6.295 16.249 1.00 0.00 C ATOM 442 C SER A 29 1.475 -5.446 17.481 1.00 0.00 C ATOM 443 O SER A 29 2.262 -5.342 18.424 1.00 0.00 O ATOM 444 CB SER A 29 2.384 -7.645 16.693 1.00 0.00 C ATOM 445 OG SER A 29 2.780 -8.461 15.607 1.00 0.00 O ATOM 0 H SER A 29 3.639 -6.079 15.263 1.00 0.00 H new ATOM 0 HA SER A 29 0.903 -6.469 15.680 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.241 -7.476 17.345 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.634 -8.173 17.283 1.00 0.00 H new ATOM 0 HG SER A 29 3.741 -8.644 15.668 1.00 0.00 H new ATOM 451 N ALA A 30 0.285 -4.851 17.460 1.00 0.00 N ATOM 452 CA ALA A 30 -0.355 -4.187 18.582 1.00 0.00 C ATOM 453 C ALA A 30 -1.900 -4.359 18.610 1.00 0.00 C ATOM 454 O ALA A 30 -2.529 -3.534 19.277 1.00 0.00 O ATOM 455 CB ALA A 30 0.075 -2.709 18.582 1.00 0.00 C ATOM 0 H ALA A 30 -0.284 -4.820 16.614 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.021 -4.666 19.503 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.396 -2.193 19.419 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.159 -2.645 18.680 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.233 -2.241 17.647 1.00 0.00 H new ATOM 461 N PRO A 31 -2.562 -5.341 17.931 1.00 0.00 N ATOM 462 CA PRO A 31 -4.015 -5.502 18.005 1.00 0.00 C ATOM 463 C PRO A 31 -4.602 -5.305 19.407 1.00 0.00 C ATOM 464 O PRO A 31 -4.105 -5.843 20.402 1.00 0.00 O ATOM 465 CB PRO A 31 -4.340 -6.883 17.450 1.00 0.00 C ATOM 466 CG PRO A 31 -3.249 -7.101 16.416 1.00 0.00 C ATOM 467 CD PRO A 31 -2.056 -6.336 16.981 1.00 0.00 C ATOM 0 HA PRO A 31 -4.483 -4.714 17.415 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.317 -7.646 18.228 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.333 -6.914 17.002 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.022 -8.160 16.290 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.542 -6.719 15.438 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.366 -7.019 17.476 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.502 -5.849 16.179 1.00 0.00 H new ATOM 561 N GLU A 39 5.691 -8.866 16.025 1.00 0.00 N ATOM 562 CA GLU A 39 6.129 -8.996 14.644 1.00 0.00 C ATOM 563 C GLU A 39 5.776 -7.712 13.871 1.00 0.00 C ATOM 564 O GLU A 39 5.227 -6.759 14.437 1.00 0.00 O ATOM 565 CB GLU A 39 5.476 -10.243 14.013 1.00 0.00 C ATOM 566 CG GLU A 39 5.885 -11.545 14.719 1.00 0.00 C ATOM 567 CD GLU A 39 5.332 -12.782 13.989 1.00 0.00 C ATOM 568 OE1 GLU A 39 5.999 -13.296 13.061 1.00 0.00 O ATOM 569 OE2 GLU A 39 4.238 -13.273 14.347 1.00 0.00 O ATOM 0 HA GLU A 39 7.210 -9.126 14.601 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.392 -10.139 14.050 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.755 -10.301 12.961 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.972 -11.607 14.769 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.519 -11.534 15.746 1.00 0.00 H new ATOM 576 N SER A 40 6.070 -7.700 12.568 1.00 0.00 N ATOM 577 CA SER A 40 5.737 -6.616 11.655 1.00 0.00 C ATOM 578 C SER A 40 5.313 -7.198 10.300 1.00 0.00 C ATOM 579 O SER A 40 5.616 -8.353 9.984 1.00 0.00 O ATOM 580 CB SER A 40 6.925 -5.657 11.491 1.00 0.00 C ATOM 581 OG SER A 40 7.491 -5.259 12.733 1.00 0.00 O ATOM 0 H SER A 40 6.560 -8.469 12.111 1.00 0.00 H new ATOM 0 HA SER A 40 4.906 -6.045 12.070 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.693 -6.138 10.885 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.598 -4.771 10.946 1.00 0.00 H new ATOM 0 HG SER A 40 7.092 -4.410 13.017 1.00 0.00 H new ATOM 587 N LYS A 41 4.586 -6.403 9.516 1.00 0.00 N ATOM 588 CA LYS A 41 3.944 -6.759 8.249 1.00 0.00 C ATOM 589 C LYS A 41 3.831 -5.466 7.433 1.00 0.00 C ATOM 590 O LYS A 41 3.991 -4.383 7.993 1.00 0.00 O ATOM 591 CB LYS A 41 2.584 -7.402 8.595 1.00 0.00 C ATOM 592 CG LYS A 41 1.690 -7.855 7.425 1.00 0.00 C ATOM 593 CD LYS A 41 0.455 -6.947 7.287 1.00 0.00 C ATOM 594 CE LYS A 41 -0.478 -7.334 6.129 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.050 -8.699 6.262 1.00 0.00 N ATOM 0 H LYS A 41 4.418 -5.428 9.765 1.00 0.00 H new ATOM 0 HA LYS A 41 4.500 -7.480 7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.774 -8.269 9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.018 -6.688 9.194 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.263 -7.838 6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.372 -8.885 7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.109 -6.974 8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.787 -5.919 7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.292 -6.611 6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.073 -7.269 5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.000 -8.720 5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.437 -9.381 5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.114 -8.952 7.269 1.00 0.00 H new ATOM 609 N GLU A 42 3.538 -5.531 6.136 1.00 0.00 N ATOM 610 CA GLU A 42 3.350 -4.346 5.301 1.00 0.00 C ATOM 611 C GLU A 42 2.013 -4.459 4.573 1.00 0.00 C ATOM 612 O GLU A 42 1.532 -5.568 4.321 1.00 0.00 O ATOM 613 CB GLU A 42 4.497 -4.181 4.288 1.00 0.00 C ATOM 614 CG GLU A 42 5.880 -3.904 4.905 1.00 0.00 C ATOM 615 CD GLU A 42 6.573 -5.153 5.489 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.702 -6.179 4.783 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.049 -5.098 6.645 1.00 0.00 O ATOM 0 H GLU A 42 3.424 -6.411 5.632 1.00 0.00 H new ATOM 0 HA GLU A 42 3.352 -3.464 5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.561 -5.086 3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.248 -3.364 3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.525 -3.467 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.771 -3.160 5.694 1.00 0.00 H new ATOM 624 N ILE A 43 1.436 -3.313 4.211 1.00 0.00 N ATOM 625 CA ILE A 43 0.211 -3.200 3.437 1.00 0.00 C ATOM 626 C ILE A 43 0.397 -2.145 2.343 1.00 0.00 C ATOM 627 O ILE A 43 1.169 -1.192 2.490 1.00 0.00 O ATOM 628 CB ILE A 43 -1.015 -2.890 4.338 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.908 -1.555 5.106 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.281 -4.059 5.297 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.181 -1.166 5.873 1.00 0.00 C ATOM 0 H ILE A 43 1.829 -2.406 4.461 1.00 0.00 H new ATOM 0 HA ILE A 43 0.004 -4.161 2.965 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.865 -2.771 3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.078 -1.619 5.810 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.666 -0.761 4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.143 -3.828 5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.482 -4.963 4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.407 -4.218 5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.022 -0.217 6.385 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.011 -1.067 5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.415 -1.938 6.606 1.00 0.00 H new ATOM 643 N VAL A 44 -0.360 -2.316 1.264 1.00 0.00 N ATOM 644 CA VAL A 44 -0.398 -1.452 0.095 1.00 0.00 C ATOM 645 C VAL A 44 -1.840 -0.940 0.022 1.00 0.00 C ATOM 646 O VAL A 44 -2.748 -1.755 -0.187 1.00 0.00 O ATOM 647 CB VAL A 44 -0.006 -2.287 -1.153 1.00 0.00 C ATOM 648 CG1 VAL A 44 0.079 -1.432 -2.422 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.328 -3.040 -0.995 1.00 0.00 C ATOM 0 H VAL A 44 -0.999 -3.107 1.180 1.00 0.00 H new ATOM 0 HA VAL A 44 0.298 -0.614 0.145 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.810 -3.017 -1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.356 -2.062 -3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.889 -0.971 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.831 -0.654 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.539 -3.602 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.131 -2.325 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.260 -3.727 -0.152 1.00 0.00 H new ATOM 659 N ARG A 45 -2.064 0.368 0.208 1.00 0.00 N ATOM 660 CA ARG A 45 -3.379 1.018 0.070 1.00 0.00 C ATOM 661 C ARG A 45 -3.219 2.181 -0.898 1.00 0.00 C ATOM 662 O ARG A 45 -2.176 2.833 -0.887 1.00 0.00 O ATOM 663 CB ARG A 45 -3.901 1.595 1.408 1.00 0.00 C ATOM 664 CG ARG A 45 -4.359 0.628 2.514 1.00 0.00 C ATOM 665 CD ARG A 45 -5.441 -0.381 2.113 1.00 0.00 C ATOM 666 NE ARG A 45 -4.822 -1.619 1.648 1.00 0.00 N ATOM 667 CZ ARG A 45 -4.541 -2.705 2.369 1.00 0.00 C ATOM 668 NH1 ARG A 45 -5.034 -2.906 3.588 1.00 0.00 N ATOM 669 NH2 ARG A 45 -3.716 -3.599 1.854 1.00 0.00 N ATOM 0 H ARG A 45 -1.322 1.019 0.464 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.090 0.268 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.112 2.221 1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.740 2.251 1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.489 0.077 2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.730 1.216 3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.091 -0.587 2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.068 0.039 1.327 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.577 -1.658 0.659 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.655 -2.214 4.008 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.791 -3.752 4.103 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.313 -3.448 0.929 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.482 -4.440 2.381 1.00 0.00 H new ATOM 683 N GLY A 46 -4.247 2.493 -1.683 1.00 0.00 N ATOM 684 CA GLY A 46 -4.253 3.636 -2.582 1.00 0.00 C ATOM 685 C GLY A 46 -5.600 3.736 -3.265 1.00 0.00 C ATOM 686 O GLY A 46 -6.195 2.705 -3.586 1.00 0.00 O ATOM 0 H GLY A 46 -5.110 1.949 -1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.047 4.550 -2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.463 3.531 -3.326 1.00 0.00 H new ATOM 690 N TYR A 47 -6.100 4.957 -3.448 1.00 0.00 N ATOM 691 CA TYR A 47 -7.447 5.190 -3.953 1.00 0.00 C ATOM 692 C TYR A 47 -7.493 6.535 -4.664 1.00 0.00 C ATOM 693 O TYR A 47 -6.761 7.459 -4.299 1.00 0.00 O ATOM 694 CB TYR A 47 -8.468 5.228 -2.800 1.00 0.00 C ATOM 695 CG TYR A 47 -8.432 4.081 -1.805 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.521 4.130 -0.734 1.00 0.00 C ATOM 697 CD2 TYR A 47 -9.356 3.022 -1.885 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.529 3.134 0.259 1.00 0.00 C ATOM 699 CE2 TYR A 47 -9.363 2.012 -0.907 1.00 0.00 C ATOM 700 CZ TYR A 47 -8.459 2.072 0.178 1.00 0.00 C ATOM 701 OH TYR A 47 -8.532 1.134 1.164 1.00 0.00 O ATOM 0 H TYR A 47 -5.580 5.812 -3.249 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.698 4.377 -4.635 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.322 6.158 -2.250 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.467 5.268 -3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.809 4.940 -0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.062 2.985 -2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.828 3.180 1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.059 1.190 -0.985 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.228 0.480 0.943 1.00 0.00 H new ATOM 711 N LYS A 48 -8.420 6.683 -5.617 1.00 0.00 N ATOM 712 CA LYS A 48 -8.626 7.943 -6.329 1.00 0.00 C ATOM 713 C LYS A 48 -8.995 9.108 -5.407 1.00 0.00 C ATOM 714 O LYS A 48 -8.674 10.249 -5.738 1.00 0.00 O ATOM 715 CB LYS A 48 -9.645 7.765 -7.470 1.00 0.00 C ATOM 716 CG LYS A 48 -11.038 7.287 -7.025 1.00 0.00 C ATOM 717 CD LYS A 48 -11.993 7.218 -8.226 1.00 0.00 C ATOM 718 CE LYS A 48 -13.365 6.648 -7.836 1.00 0.00 C ATOM 719 NZ LYS A 48 -13.369 5.168 -7.736 1.00 0.00 N ATOM 0 H LYS A 48 -9.045 5.934 -5.914 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.666 8.216 -6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.753 8.715 -7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.244 7.050 -8.188 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.960 6.305 -6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.439 7.966 -6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.121 8.216 -8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.551 6.598 -9.006 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.670 7.072 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.105 6.959 -8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.320 4.841 -7.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.105 4.757 -8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.685 4.867 -7.013 1.00 0.00 H new ATOM 733 N TRP A 49 -9.648 8.854 -4.265 1.00 0.00 N ATOM 734 CA TRP A 49 -10.025 9.925 -3.346 1.00 0.00 C ATOM 735 C TRP A 49 -8.816 10.533 -2.621 1.00 0.00 C ATOM 736 O TRP A 49 -8.888 11.695 -2.216 1.00 0.00 O ATOM 737 CB TRP A 49 -11.138 9.473 -2.383 1.00 0.00 C ATOM 738 CG TRP A 49 -11.064 8.109 -1.750 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.872 7.068 -2.058 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.218 7.627 -0.657 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.599 5.996 -1.233 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.591 6.285 -0.341 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.174 8.184 0.106 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.957 5.544 0.671 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.493 7.434 1.082 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.871 6.109 1.360 1.00 0.00 C ATOM 0 H TRP A 49 -9.923 7.920 -3.961 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.439 10.734 -3.947 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.189 10.205 -1.577 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.082 9.530 -2.925 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.621 7.075 -2.836 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -12.084 5.100 -1.278 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.889 9.212 -0.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.301 4.550 0.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.672 7.881 1.623 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.332 5.531 2.096 1.00 0.00 H new ATOM 757 N ALA A 50 -7.702 9.804 -2.466 1.00 0.00 N ATOM 758 CA ALA A 50 -6.516 10.310 -1.790 1.00 0.00 C ATOM 759 C ALA A 50 -5.658 11.134 -2.753 1.00 0.00 C ATOM 760 O ALA A 50 -4.617 10.681 -3.227 1.00 0.00 O ATOM 761 CB ALA A 50 -5.731 9.177 -1.137 1.00 0.00 C ATOM 0 H ALA A 50 -7.605 8.848 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.831 10.976 -0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.851 9.584 -0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.361 8.673 -0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.419 8.463 -1.900 1.00 0.00 H new ATOM 767 N GLU A 51 -6.090 12.361 -3.047 1.00 0.00 N ATOM 768 CA GLU A 51 -5.317 13.316 -3.846 1.00 0.00 C ATOM 769 C GLU A 51 -3.998 13.720 -3.154 1.00 0.00 C ATOM 770 O GLU A 51 -3.100 14.265 -3.800 1.00 0.00 O ATOM 771 CB GLU A 51 -6.180 14.559 -4.129 1.00 0.00 C ATOM 772 CG GLU A 51 -7.313 14.303 -5.136 1.00 0.00 C ATOM 773 CD GLU A 51 -6.800 14.226 -6.588 1.00 0.00 C ATOM 774 OE1 GLU A 51 -6.326 13.154 -7.025 1.00 0.00 O ATOM 775 OE2 GLU A 51 -6.879 15.244 -7.314 1.00 0.00 O ATOM 0 H GLU A 51 -6.991 12.723 -2.736 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.047 12.832 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.610 14.914 -3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.541 15.356 -4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.818 13.371 -4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.053 15.099 -5.056 1.00 0.00 H new ATOM 782 N TYR A 52 -3.846 13.430 -1.860 1.00 0.00 N ATOM 783 CA TYR A 52 -2.653 13.686 -1.066 1.00 0.00 C ATOM 784 C TYR A 52 -2.319 12.397 -0.319 1.00 0.00 C ATOM 785 O TYR A 52 -3.227 11.723 0.178 1.00 0.00 O ATOM 786 CB TYR A 52 -2.822 14.910 -0.144 1.00 0.00 C ATOM 787 CG TYR A 52 -4.219 15.236 0.357 1.00 0.00 C ATOM 788 CD1 TYR A 52 -5.146 15.830 -0.519 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.573 15.014 1.700 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.436 16.166 -0.074 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.858 15.356 2.160 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.799 15.928 1.273 1.00 0.00 C ATOM 793 OH TYR A 52 -8.042 16.254 1.729 1.00 0.00 O ATOM 0 H TYR A 52 -4.589 12.990 -1.317 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.813 13.953 -1.707 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.181 14.765 0.725 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.445 15.784 -0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.864 16.029 -1.542 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.856 14.579 2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.148 16.604 -0.758 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.126 15.181 3.192 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.115 16.019 2.678 1.00 0.00 H new ATOM 803 N HIS A 53 -1.041 12.017 -0.267 1.00 0.00 N ATOM 804 CA HIS A 53 -0.597 10.804 0.413 1.00 0.00 C ATOM 805 C HIS A 53 -0.945 10.863 1.898 1.00 0.00 C ATOM 806 O HIS A 53 -1.281 9.828 2.481 1.00 0.00 O ATOM 807 CB HIS A 53 0.913 10.592 0.234 1.00 0.00 C ATOM 808 CG HIS A 53 1.312 10.199 -1.166 1.00 0.00 C ATOM 809 ND1 HIS A 53 2.167 10.903 -2.020 1.00 0.00 N ATOM 810 CD2 HIS A 53 0.918 9.059 -1.797 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.270 10.173 -3.137 1.00 0.00 C ATOM 812 NE2 HIS A 53 1.523 9.068 -3.027 1.00 0.00 N ATOM 0 H HIS A 53 -0.283 12.546 -0.698 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.118 9.959 -0.038 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.434 11.510 0.506 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.246 9.819 0.927 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.259 8.298 -1.406 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.866 10.436 -3.998 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.420 8.349 -3.743 1.00 0.00 H new ATOM 820 N ALA A 54 -0.938 12.056 2.501 1.00 0.00 N ATOM 821 CA ALA A 54 -1.403 12.238 3.869 1.00 0.00 C ATOM 822 C ALA A 54 -2.838 11.741 4.085 1.00 0.00 C ATOM 823 O ALA A 54 -3.157 11.348 5.206 1.00 0.00 O ATOM 824 CB ALA A 54 -1.277 13.707 4.285 1.00 0.00 C ATOM 0 H ALA A 54 -0.612 12.913 2.054 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.761 11.625 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.629 13.826 5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.233 14.015 4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.879 14.326 3.620 1.00 0.00 H new ATOM 830 N ASP A 55 -3.699 11.738 3.059 1.00 0.00 N ATOM 831 CA ASP A 55 -5.096 11.341 3.231 1.00 0.00 C ATOM 832 C ASP A 55 -5.191 9.851 3.535 1.00 0.00 C ATOM 833 O ASP A 55 -5.821 9.456 4.517 1.00 0.00 O ATOM 834 CB ASP A 55 -5.942 11.645 1.988 1.00 0.00 C ATOM 835 CG ASP A 55 -7.435 11.649 2.354 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.857 12.468 3.203 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.199 10.850 1.776 1.00 0.00 O ATOM 0 H ASP A 55 -3.451 12.005 2.106 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.487 11.923 4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.659 12.612 1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.751 10.899 1.217 1.00 0.00 H new ATOM 842 N ILE A 56 -4.519 9.022 2.723 1.00 0.00 N ATOM 843 CA ILE A 56 -4.450 7.588 2.956 1.00 0.00 C ATOM 844 C ILE A 56 -3.647 7.308 4.217 1.00 0.00 C ATOM 845 O ILE A 56 -4.070 6.448 4.981 1.00 0.00 O ATOM 846 CB ILE A 56 -3.917 6.763 1.751 1.00 0.00 C ATOM 847 CG1 ILE A 56 -2.953 7.504 0.787 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.101 6.085 1.045 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.756 6.837 -0.586 1.00 0.00 C ATOM 0 H ILE A 56 -4.014 9.333 1.893 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.478 7.250 3.089 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.255 6.001 2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.328 8.515 0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.981 7.596 1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.736 5.504 0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.612 5.424 1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.797 6.845 0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.066 7.432 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.347 5.836 -0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.715 6.770 -1.099 1.00 0.00 H new ATOM 861 N TYR A 57 -2.540 8.012 4.483 1.00 0.00 N ATOM 862 CA TYR A 57 -1.780 7.729 5.694 1.00 0.00 C ATOM 863 C TYR A 57 -2.648 7.942 6.938 1.00 0.00 C ATOM 864 O TYR A 57 -2.715 7.052 7.786 1.00 0.00 O ATOM 865 CB TYR A 57 -0.481 8.539 5.758 1.00 0.00 C ATOM 866 CG TYR A 57 0.299 8.279 7.038 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.681 6.965 7.377 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.585 9.335 7.924 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.343 6.703 8.589 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.261 9.086 9.131 1.00 0.00 C ATOM 871 CZ TYR A 57 1.639 7.767 9.474 1.00 0.00 C ATOM 872 OH TYR A 57 2.269 7.537 10.661 1.00 0.00 O ATOM 0 H TYR A 57 -2.165 8.756 3.895 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.487 6.679 5.666 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.142 8.291 4.899 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.714 9.601 5.687 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.463 6.153 6.700 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.283 10.342 7.675 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.625 5.692 8.844 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.492 9.904 9.798 1.00 0.00 H new ATOM 0 HH TYR A 57 2.390 8.385 11.137 1.00 0.00 H new ATOM 882 N ASP A 58 -3.364 9.067 7.033 1.00 0.00 N ATOM 883 CA ASP A 58 -4.213 9.350 8.185 1.00 0.00 C ATOM 884 C ASP A 58 -5.366 8.349 8.294 1.00 0.00 C ATOM 885 O ASP A 58 -5.594 7.788 9.366 1.00 0.00 O ATOM 886 CB ASP A 58 -4.768 10.775 8.111 1.00 0.00 C ATOM 887 CG ASP A 58 -5.697 11.050 9.306 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.193 11.257 10.432 1.00 0.00 O ATOM 889 OD2 ASP A 58 -6.934 11.084 9.122 1.00 0.00 O ATOM 0 H ASP A 58 -3.369 9.797 6.320 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.593 9.254 9.076 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.947 11.492 8.107 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.315 10.911 7.178 1.00 0.00 H new ATOM 894 N LYS A 59 -6.073 8.088 7.189 1.00 0.00 N ATOM 895 CA LYS A 59 -7.220 7.180 7.170 1.00 0.00 C ATOM 896 C LYS A 59 -6.803 5.759 7.534 1.00 0.00 C ATOM 897 O LYS A 59 -7.415 5.144 8.407 1.00 0.00 O ATOM 898 CB LYS A 59 -7.873 7.261 5.784 1.00 0.00 C ATOM 899 CG LYS A 59 -9.038 6.275 5.599 1.00 0.00 C ATOM 900 CD LYS A 59 -10.074 6.886 4.651 1.00 0.00 C ATOM 901 CE LYS A 59 -11.143 5.859 4.258 1.00 0.00 C ATOM 902 NZ LYS A 59 -12.115 6.416 3.284 1.00 0.00 N ATOM 0 H LYS A 59 -5.863 8.503 6.281 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.950 7.478 7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.236 8.276 5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.118 7.066 5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.670 5.332 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.497 6.052 6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.548 7.743 5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.576 7.257 3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.662 4.980 3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.673 5.527 5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.015 5.900 3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.275 7.423 3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.737 6.316 2.320 1.00 0.00 H new ATOM 916 N VAL A 60 -5.772 5.235 6.878 1.00 0.00 N ATOM 917 CA VAL A 60 -5.380 3.844 7.021 1.00 0.00 C ATOM 918 C VAL A 60 -4.749 3.650 8.395 1.00 0.00 C ATOM 919 O VAL A 60 -5.178 2.750 9.109 1.00 0.00 O ATOM 920 CB VAL A 60 -4.461 3.426 5.859 1.00 0.00 C ATOM 921 CG1 VAL A 60 -3.989 1.970 6.006 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.196 3.574 4.513 1.00 0.00 C ATOM 0 H VAL A 60 -5.187 5.766 6.233 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.249 3.188 6.965 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.591 4.083 5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.342 1.711 5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.436 1.859 6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.854 1.306 6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.533 3.275 3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.082 2.939 4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.494 4.613 4.373 1.00 0.00 H new ATOM 932 N SER A 61 -3.805 4.493 8.824 1.00 0.00 N ATOM 933 CA SER A 61 -3.237 4.360 10.160 1.00 0.00 C ATOM 934 C SER A 61 -4.296 4.601 11.240 1.00 0.00 C ATOM 935 O SER A 61 -4.178 4.038 12.327 1.00 0.00 O ATOM 936 CB SER A 61 -2.031 5.284 10.324 1.00 0.00 C ATOM 937 OG SER A 61 -1.058 4.942 9.355 1.00 0.00 O ATOM 0 H SER A 61 -3.425 5.262 8.272 1.00 0.00 H new ATOM 0 HA SER A 61 -2.887 3.335 10.285 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.334 6.324 10.204 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.615 5.187 11.327 1.00 0.00 H new ATOM 0 HG SER A 61 -0.424 5.682 9.253 1.00 0.00 H new ATOM 943 N GLY A 62 -5.345 5.381 10.963 1.00 0.00 N ATOM 944 CA GLY A 62 -6.498 5.502 11.840 1.00 0.00 C ATOM 945 C GLY A 62 -7.210 4.160 11.976 1.00 0.00 C ATOM 946 O GLY A 62 -7.421 3.696 13.094 1.00 0.00 O ATOM 0 H GLY A 62 -5.412 5.947 10.117 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.180 5.853 12.822 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.187 6.247 11.443 1.00 0.00 H new ATOM 950 N ASP A 63 -7.539 3.497 10.863 1.00 0.00 N ATOM 951 CA ASP A 63 -8.183 2.183 10.890 1.00 0.00 C ATOM 952 C ASP A 63 -7.309 1.141 11.584 1.00 0.00 C ATOM 953 O ASP A 63 -7.799 0.391 12.426 1.00 0.00 O ATOM 954 CB ASP A 63 -8.545 1.699 9.484 1.00 0.00 C ATOM 955 CG ASP A 63 -9.310 0.367 9.577 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.554 0.399 9.703 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.676 -0.710 9.513 1.00 0.00 O ATOM 0 H ASP A 63 -7.367 3.855 9.923 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.103 2.303 11.462 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.156 2.446 8.977 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.641 1.570 8.889 1.00 0.00 H new ATOM 962 N MET A 64 -6.006 1.138 11.296 1.00 0.00 N ATOM 963 CA MET A 64 -5.058 0.227 11.921 1.00 0.00 C ATOM 964 C MET A 64 -5.056 0.437 13.428 1.00 0.00 C ATOM 965 O MET A 64 -5.189 -0.536 14.164 1.00 0.00 O ATOM 966 CB MET A 64 -3.649 0.424 11.348 1.00 0.00 C ATOM 967 CG MET A 64 -3.549 0.047 9.862 1.00 0.00 C ATOM 968 SD MET A 64 -3.692 -1.722 9.515 1.00 0.00 S ATOM 969 CE MET A 64 -5.389 -1.721 8.889 1.00 0.00 C ATOM 0 H MET A 64 -5.582 1.772 10.619 1.00 0.00 H new ATOM 0 HA MET A 64 -5.366 -0.796 11.706 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.354 1.466 11.474 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.943 -0.179 11.919 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.331 0.574 9.315 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.594 0.402 9.475 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.787 -2.735 8.916 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.006 -1.072 9.511 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.398 -1.355 7.862 1.00 0.00 H new ATOM 979 N GLN A 65 -4.986 1.678 13.906 1.00 0.00 N ATOM 980 CA GLN A 65 -4.992 1.979 15.328 1.00 0.00 C ATOM 981 C GLN A 65 -6.357 1.704 15.970 1.00 0.00 C ATOM 982 O GLN A 65 -6.411 1.356 17.151 1.00 0.00 O ATOM 983 CB GLN A 65 -4.556 3.433 15.524 1.00 0.00 C ATOM 984 CG GLN A 65 -3.039 3.608 15.317 1.00 0.00 C ATOM 985 CD GLN A 65 -2.650 5.084 15.337 1.00 0.00 C ATOM 986 OE1 GLN A 65 -2.088 5.594 16.304 1.00 0.00 O ATOM 987 NE2 GLN A 65 -2.957 5.803 14.269 1.00 0.00 N ATOM 0 H GLN A 65 -4.923 2.504 13.311 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.287 1.319 15.834 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.095 4.072 14.824 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.826 3.761 16.528 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.498 3.075 16.099 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.745 3.164 14.366 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.423 5.364 13.475 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.727 6.796 14.240 1.00 0.00 H new ATOM 996 N LYS A 66 -7.462 1.786 15.220 1.00 0.00 N ATOM 997 CA LYS A 66 -8.768 1.330 15.697 1.00 0.00 C ATOM 998 C LYS A 66 -8.763 -0.193 15.861 1.00 0.00 C ATOM 999 O LYS A 66 -9.295 -0.674 16.862 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.893 1.839 14.779 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.185 3.328 15.053 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.305 3.921 14.184 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.906 4.069 12.706 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.979 4.706 11.901 1.00 0.00 N ATOM 0 H LYS A 66 -7.475 2.167 14.274 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.967 1.755 16.681 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.607 1.705 13.736 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.796 1.250 14.940 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.454 3.447 16.103 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.272 3.901 14.891 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.187 3.285 14.254 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.585 4.898 14.579 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.996 4.665 12.634 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.677 3.087 12.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.669 4.787 10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.840 4.124 11.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.180 5.654 12.279 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.114 -0.955 14.967 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.881 -2.384 15.200 1.00 0.00 C ATOM 1020 C GLN A 67 -6.866 -2.581 16.346 1.00 0.00 C ATOM 1021 O GLN A 67 -6.892 -3.600 17.031 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.405 -3.086 13.913 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.450 -3.057 12.783 1.00 0.00 C ATOM 1024 CD GLN A 67 -8.004 -3.868 11.561 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.663 -5.044 11.667 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -8.005 -3.291 10.371 1.00 0.00 N ATOM 0 H GLN A 67 -7.744 -0.606 14.083 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.826 -2.842 15.494 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.489 -2.609 13.564 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.157 -4.122 14.143 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.395 -3.453 13.154 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.632 -2.024 12.485 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.287 -2.315 10.278 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.724 -3.822 9.547 1.00 0.00 H new ATOM 1035 N GLY A 68 -5.980 -1.605 16.568 1.00 0.00 N ATOM 1036 CA GLY A 68 -4.988 -1.515 17.637 1.00 0.00 C ATOM 1037 C GLY A 68 -3.560 -1.444 17.096 1.00 0.00 C ATOM 1038 O GLY A 68 -2.669 -0.948 17.783 1.00 0.00 O ATOM 0 H GLY A 68 -5.937 -0.793 15.953 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.189 -0.632 18.243 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.084 -2.380 18.293 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.357 -1.928 15.868 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.082 -1.991 15.173 1.00 0.00 C ATOM 1044 C CYS A 69 -1.382 -0.632 15.147 1.00 0.00 C ATOM 1045 O CYS A 69 -2.023 0.414 15.044 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.340 -2.481 13.747 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.865 -4.217 13.791 1.00 0.00 S ATOM 0 H CYS A 69 -4.122 -2.305 15.308 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.422 -2.678 15.702 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.108 -1.869 13.274 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.436 -2.378 13.146 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.816 -4.405 12.925 1.00 0.00 H new ATOM 1053 N ASP A 70 -0.052 -0.669 15.168 1.00 0.00 N ATOM 1054 CA ASP A 70 0.805 0.511 15.118 1.00 0.00 C ATOM 1055 C ASP A 70 1.453 0.532 13.738 1.00 0.00 C ATOM 1056 O ASP A 70 1.831 -0.532 13.242 1.00 0.00 O ATOM 1057 CB ASP A 70 1.845 0.420 16.235 1.00 0.00 C ATOM 1058 CG ASP A 70 2.857 1.572 16.135 1.00 0.00 C ATOM 1059 OD1 ASP A 70 2.441 2.750 16.202 1.00 0.00 O ATOM 1060 OD2 ASP A 70 4.072 1.306 16.011 1.00 0.00 O ATOM 0 H ASP A 70 0.472 -1.543 15.222 1.00 0.00 H new ATOM 0 HA ASP A 70 0.245 1.434 15.270 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.347 0.450 17.204 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.367 -0.535 16.175 1.00 0.00 H new ATOM 1065 N CYS A 71 1.582 1.712 13.120 1.00 0.00 N ATOM 1066 CA CYS A 71 1.955 1.834 11.714 1.00 0.00 C ATOM 1067 C CYS A 71 2.912 2.985 11.412 1.00 0.00 C ATOM 1068 O CYS A 71 3.020 3.939 12.187 1.00 0.00 O ATOM 1069 CB CYS A 71 0.670 2.063 10.910 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.281 0.532 10.839 1.00 0.00 S ATOM 0 H CYS A 71 1.430 2.607 13.585 1.00 0.00 H new ATOM 0 HA CYS A 71 2.478 0.916 11.444 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.075 2.851 11.372 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.915 2.398 9.902 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.765 0.267 12.016 1.00 0.00 H new ATOM 1076 N GLU A 72 3.546 2.922 10.236 1.00 0.00 N ATOM 1077 CA GLU A 72 4.434 3.940 9.700 1.00 0.00 C ATOM 1078 C GLU A 72 4.366 3.852 8.171 1.00 0.00 C ATOM 1079 O GLU A 72 4.531 2.763 7.621 1.00 0.00 O ATOM 1080 CB GLU A 72 5.847 3.631 10.223 1.00 0.00 C ATOM 1081 CG GLU A 72 6.935 4.491 9.575 1.00 0.00 C ATOM 1082 CD GLU A 72 8.305 4.224 10.218 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.794 3.074 10.147 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.908 5.163 10.788 1.00 0.00 O ATOM 0 H GLU A 72 3.445 2.123 9.611 1.00 0.00 H new ATOM 0 HA GLU A 72 4.157 4.949 10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.869 3.783 11.302 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.071 2.579 10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.983 4.279 8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.680 5.546 9.679 1.00 0.00 H new ATOM 1091 N CYS A 73 4.118 4.960 7.466 1.00 0.00 N ATOM 1092 CA CYS A 73 4.261 4.990 6.014 1.00 0.00 C ATOM 1093 C CYS A 73 5.761 4.923 5.698 1.00 0.00 C ATOM 1094 O CYS A 73 6.534 5.778 6.138 1.00 0.00 O ATOM 1095 CB CYS A 73 3.576 6.229 5.399 1.00 0.00 C ATOM 1096 SG CYS A 73 3.931 7.729 6.362 1.00 0.00 S ATOM 0 H CYS A 73 3.818 5.843 7.879 1.00 0.00 H new ATOM 0 HA CYS A 73 3.757 4.136 5.562 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.918 6.364 4.373 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.499 6.068 5.357 1.00 0.00 H new ATOM 0 HG CYS A 73 4.011 8.750 5.561 1.00 0.00 H new ATOM 1102 N LEU A 74 6.186 3.908 4.940 1.00 0.00 N ATOM 1103 CA LEU A 74 7.552 3.836 4.431 1.00 0.00 C ATOM 1104 C LEU A 74 7.764 4.908 3.355 1.00 0.00 C ATOM 1105 O LEU A 74 8.887 5.376 3.170 1.00 0.00 O ATOM 1106 CB LEU A 74 7.860 2.435 3.873 1.00 0.00 C ATOM 1107 CG LEU A 74 7.779 1.277 4.891 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.276 -0.017 4.235 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.598 1.535 6.163 1.00 0.00 C ATOM 0 H LEU A 74 5.597 3.122 4.666 1.00 0.00 H new ATOM 0 HA LEU A 74 8.240 4.023 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.166 2.228 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.862 2.447 3.443 1.00 0.00 H new ATOM 0 HG LEU A 74 6.734 1.192 5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.219 -0.835 4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.653 -0.249 3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.309 0.112 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.500 0.685 6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.647 1.670 5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.230 2.434 6.657 1.00 0.00 H new ATOM 1121 N GLY A 75 6.692 5.312 2.665 1.00 0.00 N ATOM 1122 CA GLY A 75 6.669 6.411 1.714 1.00 0.00 C ATOM 1123 C GLY A 75 5.381 6.350 0.903 1.00 0.00 C ATOM 1124 O GLY A 75 4.489 5.546 1.206 1.00 0.00 O ATOM 0 H GLY A 75 5.783 4.859 2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.736 7.363 2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.532 6.351 1.051 1.00 0.00 H new ATOM 1128 N GLY A 76 5.296 7.168 -0.145 1.00 0.00 N ATOM 1129 CA GLY A 76 4.170 7.177 -1.068 1.00 0.00 C ATOM 1130 C GLY A 76 4.639 7.157 -2.517 1.00 0.00 C ATOM 1131 O GLY A 76 5.811 7.417 -2.812 1.00 0.00 O ATOM 0 H GLY A 76 6.018 7.850 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.535 6.312 -0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.561 8.064 -0.893 1.00 0.00 H new ATOM 1135 N GLY A 77 3.704 6.853 -3.413 1.00 0.00 N ATOM 1136 CA GLY A 77 3.898 6.827 -4.852 1.00 0.00 C ATOM 1137 C GLY A 77 2.547 6.779 -5.550 1.00 0.00 C ATOM 1138 O GLY A 77 1.518 7.070 -4.937 1.00 0.00 O ATOM 0 H GLY A 77 2.752 6.608 -3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.451 7.710 -5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.494 5.959 -5.133 1.00 0.00 H new ATOM 1142 N ARG A 78 2.504 6.410 -6.822 1.00 0.00 N ATOM 1143 CA ARG A 78 1.267 6.260 -7.573 1.00 0.00 C ATOM 1144 C ARG A 78 1.351 5.010 -8.428 1.00 0.00 C ATOM 1145 O ARG A 78 2.441 4.490 -8.683 1.00 0.00 O ATOM 1146 CB ARG A 78 0.941 7.541 -8.363 1.00 0.00 C ATOM 1147 CG ARG A 78 1.833 7.866 -9.574 1.00 0.00 C ATOM 1148 CD ARG A 78 1.405 9.246 -10.100 1.00 0.00 C ATOM 1149 NE ARG A 78 1.907 9.556 -11.452 1.00 0.00 N ATOM 1150 CZ ARG A 78 1.794 10.758 -12.043 1.00 0.00 C ATOM 1151 NH1 ARG A 78 1.330 11.804 -11.362 1.00 0.00 N ATOM 1152 NH2 ARG A 78 2.130 10.923 -13.318 1.00 0.00 N ATOM 0 H ARG A 78 3.340 6.203 -7.369 1.00 0.00 H new ATOM 0 HA ARG A 78 0.426 6.126 -6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.089 7.470 -8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.987 8.384 -7.674 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.884 7.874 -9.286 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.720 7.108 -10.349 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.316 9.299 -10.107 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.757 10.012 -9.409 1.00 0.00 H new ATOM 0 HE ARG A 78 2.370 8.810 -11.972 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.057 11.696 -10.385 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.247 12.713 -11.817 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.478 10.132 -13.860 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.039 11.840 -13.755 1.00 0.00 H new ATOM 1166 N ILE A 79 0.181 4.528 -8.825 1.00 0.00 N ATOM 1167 CA ILE A 79 -0.002 3.286 -9.550 1.00 0.00 C ATOM 1168 C ILE A 79 -0.590 3.727 -10.887 1.00 0.00 C ATOM 1169 O ILE A 79 -1.620 4.406 -10.924 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.909 2.340 -8.725 1.00 0.00 C ATOM 1171 CG1 ILE A 79 -0.226 1.943 -7.391 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -1.255 1.072 -9.526 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -1.098 1.091 -6.457 1.00 0.00 C ATOM 0 H ILE A 79 -0.698 5.013 -8.642 1.00 0.00 H new ATOM 0 HA ILE A 79 0.908 2.710 -9.719 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.830 2.879 -8.504 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.688 1.393 -7.615 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.069 2.851 -6.864 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.893 0.424 -8.924 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.780 1.351 -10.440 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.338 0.542 -9.782 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.541 0.860 -5.549 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.001 1.644 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.372 0.164 -6.960 1.00 0.00 H new ATOM 1333 N HIS A 89 2.480 -0.059 -13.578 1.00 0.00 N ATOM 1334 CA HIS A 89 3.758 0.551 -13.260 1.00 0.00 C ATOM 1335 C HIS A 89 3.590 1.373 -11.988 1.00 0.00 C ATOM 1336 O HIS A 89 2.517 1.932 -11.754 1.00 0.00 O ATOM 1337 CB HIS A 89 4.253 1.381 -14.452 1.00 0.00 C ATOM 1338 CG HIS A 89 5.753 1.518 -14.474 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.655 0.481 -14.559 1.00 0.00 N ATOM 1340 CD2 HIS A 89 6.478 2.681 -14.471 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.889 1.004 -14.605 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.836 2.347 -14.545 1.00 0.00 N ATOM 0 HA HIS A 89 4.522 -0.204 -13.076 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.920 0.914 -15.379 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.801 2.372 -14.414 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.073 3.681 -14.420 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.799 0.427 -14.680 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.626 2.992 -14.552 1.00 0.00 H new ATOM 1350 N VAL A 90 4.627 1.440 -11.157 1.00 0.00 N ATOM 1351 CA VAL A 90 4.559 2.034 -9.827 1.00 0.00 C ATOM 1352 C VAL A 90 5.821 2.873 -9.632 1.00 0.00 C ATOM 1353 O VAL A 90 6.913 2.437 -9.996 1.00 0.00 O ATOM 1354 CB VAL A 90 4.431 0.926 -8.754 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.077 1.539 -7.391 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.361 -0.134 -9.078 1.00 0.00 C ATOM 0 H VAL A 90 5.551 1.078 -11.393 1.00 0.00 H new ATOM 0 HA VAL A 90 3.681 2.672 -9.726 1.00 0.00 H new ATOM 0 HB VAL A 90 5.403 0.433 -8.735 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.991 0.747 -6.647 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.860 2.235 -7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.129 2.071 -7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.331 -0.876 -8.280 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.387 0.347 -9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.608 -0.624 -10.020 1.00 0.00 H new ATOM 1366 N TYR A 91 5.681 4.089 -9.109 1.00 0.00 N ATOM 1367 CA TYR A 91 6.771 5.040 -8.876 1.00 0.00 C ATOM 1368 C TYR A 91 6.191 6.246 -8.138 1.00 0.00 C ATOM 1369 O TYR A 91 4.971 6.358 -8.034 1.00 0.00 O ATOM 1370 CB TYR A 91 7.372 5.509 -10.215 1.00 0.00 C ATOM 1371 CG TYR A 91 6.357 6.083 -11.185 1.00 0.00 C ATOM 1372 CD1 TYR A 91 5.650 5.224 -12.047 1.00 0.00 C ATOM 1373 CD2 TYR A 91 6.092 7.465 -11.199 1.00 0.00 C ATOM 1374 CE1 TYR A 91 4.671 5.737 -12.911 1.00 0.00 C ATOM 1375 CE2 TYR A 91 5.147 7.994 -12.095 1.00 0.00 C ATOM 1376 CZ TYR A 91 4.433 7.127 -12.956 1.00 0.00 C ATOM 1377 OH TYR A 91 3.525 7.616 -13.843 1.00 0.00 O ATOM 0 H TYR A 91 4.772 4.455 -8.824 1.00 0.00 H new ATOM 0 HA TYR A 91 7.558 4.563 -8.291 1.00 0.00 H new ATOM 0 HB2 TYR A 91 8.133 6.263 -10.014 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.875 4.667 -10.689 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.862 4.165 -12.043 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.616 8.121 -10.520 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.101 5.070 -13.540 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.966 9.058 -12.126 1.00 0.00 H new ATOM 0 HH TYR A 91 2.830 6.944 -14.003 1.00 0.00 H new ATOM 1387 N GLY A 92 7.021 7.183 -7.677 1.00 0.00 N ATOM 1388 CA GLY A 92 6.541 8.458 -7.160 1.00 0.00 C ATOM 1389 C GLY A 92 7.373 8.954 -5.989 1.00 0.00 C ATOM 1390 O GLY A 92 8.458 8.432 -5.717 1.00 0.00 O ATOM 0 H GLY A 92 8.035 7.078 -7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.560 9.201 -7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.502 8.353 -6.847 1.00 0.00 H new ATOM 1394 N TYR A 93 6.868 10.002 -5.335 1.00 0.00 N ATOM 1395 CA TYR A 93 7.509 10.700 -4.231 1.00 0.00 C ATOM 1396 C TYR A 93 6.426 11.477 -3.479 1.00 0.00 C ATOM 1397 O TYR A 93 5.818 12.379 -4.061 1.00 0.00 O ATOM 1398 CB TYR A 93 8.558 11.663 -4.814 1.00 0.00 C ATOM 1399 CG TYR A 93 9.279 12.550 -3.818 1.00 0.00 C ATOM 1400 CD1 TYR A 93 10.473 12.108 -3.221 1.00 0.00 C ATOM 1401 CD2 TYR A 93 8.787 13.838 -3.526 1.00 0.00 C ATOM 1402 CE1 TYR A 93 11.160 12.930 -2.310 1.00 0.00 C ATOM 1403 CE2 TYR A 93 9.471 14.670 -2.623 1.00 0.00 C ATOM 1404 CZ TYR A 93 10.655 14.216 -2.001 1.00 0.00 C ATOM 1405 OH TYR A 93 11.308 15.030 -1.123 1.00 0.00 O ATOM 0 H TYR A 93 5.961 10.401 -5.575 1.00 0.00 H new ATOM 0 HA TYR A 93 8.002 10.009 -3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 93 9.302 11.075 -5.351 1.00 0.00 H new ATOM 0 HB3 TYR A 93 8.067 12.301 -5.548 1.00 0.00 H new ATOM 0 HD1 TYR A 93 10.865 11.131 -3.464 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.881 14.187 -3.998 1.00 0.00 H new ATOM 0 HE1 TYR A 93 12.071 12.581 -1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.091 15.657 -2.405 1.00 0.00 H new ATOM 0 HH TYR A 93 10.818 15.874 -1.033 1.00 0.00 H new ATOM 1415 N SER A 94 6.138 11.116 -2.226 1.00 0.00 N ATOM 1416 CA SER A 94 5.299 11.951 -1.372 1.00 0.00 C ATOM 1417 C SER A 94 6.143 13.165 -0.987 1.00 0.00 C ATOM 1418 O SER A 94 7.342 13.014 -0.722 1.00 0.00 O ATOM 1419 CB SER A 94 4.861 11.157 -0.137 1.00 0.00 C ATOM 1420 OG SER A 94 4.303 11.984 0.855 1.00 0.00 O ATOM 0 H SER A 94 6.471 10.258 -1.786 1.00 0.00 H new ATOM 0 HA SER A 94 4.391 12.270 -1.883 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.131 10.403 -0.432 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.719 10.626 0.275 1.00 0.00 H new ATOM 0 HG SER A 94 3.517 12.444 0.493 1.00 0.00 H new ATOM 1426 N MET A 95 5.541 14.353 -0.902 1.00 0.00 N ATOM 1427 CA MET A 95 6.256 15.496 -0.355 1.00 0.00 C ATOM 1428 C MET A 95 6.404 15.285 1.152 1.00 0.00 C ATOM 1429 O MET A 95 7.470 15.566 1.707 1.00 0.00 O ATOM 1430 CB MET A 95 5.569 16.827 -0.723 1.00 0.00 C ATOM 1431 CG MET A 95 4.566 17.381 0.305 1.00 0.00 C ATOM 1432 SD MET A 95 5.270 18.315 1.702 1.00 0.00 S ATOM 1433 CE MET A 95 5.803 19.837 0.866 1.00 0.00 C ATOM 0 H MET A 95 4.583 14.542 -1.198 1.00 0.00 H new ATOM 0 HA MET A 95 7.251 15.568 -0.795 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.342 17.578 -0.886 1.00 0.00 H new ATOM 0 HB3 MET A 95 5.049 16.693 -1.672 1.00 0.00 H new ATOM 0 HG2 MET A 95 3.862 18.028 -0.219 1.00 0.00 H new ATOM 0 HG3 MET A 95 3.992 16.546 0.707 1.00 0.00 H new ATOM 0 HE1 MET A 95 6.091 20.579 1.610 1.00 0.00 H new ATOM 0 HE2 MET A 95 6.655 19.619 0.222 1.00 0.00 H new ATOM 0 HE3 MET A 95 4.983 20.227 0.263 1.00 0.00 H new ATOM 1443 N ALA A 96 5.360 14.765 1.810 1.00 0.00 N ATOM 1444 CA ALA A 96 5.343 14.683 3.262 1.00 0.00 C ATOM 1445 C ALA A 96 6.112 13.464 3.788 1.00 0.00 C ATOM 1446 O ALA A 96 6.606 13.517 4.917 1.00 0.00 O ATOM 1447 CB ALA A 96 3.895 14.675 3.752 1.00 0.00 C ATOM 0 H ALA A 96 4.524 14.398 1.356 1.00 0.00 H new ATOM 0 HA ALA A 96 5.855 15.560 3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.879 14.614 4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.398 15.591 3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.374 13.815 3.333 1.00 0.00 H new ATOM 1453 N TYR A 97 6.251 12.398 2.989 1.00 0.00 N ATOM 1454 CA TYR A 97 6.762 11.106 3.456 1.00 0.00 C ATOM 1455 C TYR A 97 7.808 10.474 2.526 1.00 0.00 C ATOM 1456 O TYR A 97 8.320 9.397 2.841 1.00 0.00 O ATOM 1457 CB TYR A 97 5.573 10.156 3.683 1.00 0.00 C ATOM 1458 CG TYR A 97 4.449 10.747 4.518 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.608 10.917 5.907 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.262 11.183 3.899 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.585 11.501 6.675 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.231 11.753 4.659 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.390 11.929 6.053 1.00 0.00 C ATOM 1464 OH TYR A 97 1.424 12.539 6.797 1.00 0.00 O ATOM 0 H TYR A 97 6.011 12.409 1.998 1.00 0.00 H new ATOM 0 HA TYR A 97 7.292 11.284 4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.172 9.858 2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.935 9.251 4.171 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.522 10.597 6.385 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.145 11.078 2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.712 11.623 7.741 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.313 12.058 4.179 1.00 0.00 H new ATOM 0 HH TYR A 97 0.666 12.773 6.221 1.00 0.00 H new ATOM 1474 N GLY A 98 8.168 11.122 1.414 1.00 0.00 N ATOM 1475 CA GLY A 98 9.211 10.641 0.514 1.00 0.00 C ATOM 1476 C GLY A 98 8.741 9.486 -0.381 1.00 0.00 C ATOM 1477 O GLY A 98 7.552 9.147 -0.400 1.00 0.00 O ATOM 0 H GLY A 98 7.740 11.998 1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.551 11.465 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.068 10.313 1.102 1.00 0.00 H new ATOM 1481 N PRO A 99 9.649 8.902 -1.180 1.00 0.00 N ATOM 1482 CA PRO A 99 9.321 7.816 -2.089 1.00 0.00 C ATOM 1483 C PRO A 99 9.163 6.509 -1.303 1.00 0.00 C ATOM 1484 O PRO A 99 9.946 6.220 -0.393 1.00 0.00 O ATOM 1485 CB PRO A 99 10.500 7.757 -3.063 1.00 0.00 C ATOM 1486 CG PRO A 99 11.693 8.210 -2.219 1.00 0.00 C ATOM 1487 CD PRO A 99 11.081 9.173 -1.198 1.00 0.00 C ATOM 0 HA PRO A 99 8.380 7.968 -2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.646 6.750 -3.454 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.344 8.412 -3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.179 7.366 -1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.449 8.703 -2.829 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.517 9.020 -0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 99 11.276 10.209 -1.476 1.00 0.00 H new ATOM 1495 N ALA A 100 8.154 5.709 -1.653 1.00 0.00 N ATOM 1496 CA ALA A 100 8.026 4.350 -1.139 1.00 0.00 C ATOM 1497 C ALA A 100 9.113 3.439 -1.738 1.00 0.00 C ATOM 1498 O ALA A 100 9.825 3.824 -2.669 1.00 0.00 O ATOM 1499 CB ALA A 100 6.630 3.822 -1.467 1.00 0.00 C ATOM 0 H ALA A 100 7.411 5.984 -2.295 1.00 0.00 H new ATOM 0 HA ALA A 100 8.161 4.356 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.526 2.806 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 100 5.880 4.462 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.486 3.821 -2.547 1.00 0.00 H new ATOM 1505 N GLN A 101 9.219 2.205 -1.224 1.00 0.00 N ATOM 1506 CA GLN A 101 10.141 1.200 -1.759 1.00 0.00 C ATOM 1507 C GLN A 101 9.779 0.801 -3.194 1.00 0.00 C ATOM 1508 O GLN A 101 10.680 0.523 -3.983 1.00 0.00 O ATOM 1509 CB GLN A 101 10.138 -0.060 -0.872 1.00 0.00 C ATOM 1510 CG GLN A 101 10.797 0.136 0.501 1.00 0.00 C ATOM 1511 CD GLN A 101 12.300 0.405 0.389 1.00 0.00 C ATOM 1512 OE1 GLN A 101 13.094 -0.501 0.150 1.00 0.00 O ATOM 1513 NE2 GLN A 101 12.728 1.648 0.541 1.00 0.00 N ATOM 0 H GLN A 101 8.669 1.879 -0.429 1.00 0.00 H new ATOM 0 HA GLN A 101 11.134 1.649 -1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.108 -0.385 -0.725 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.654 -0.863 -1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 101 10.318 0.969 1.016 1.00 0.00 H new ATOM 0 HG3 GLN A 101 10.633 -0.753 1.111 1.00 0.00 H new ATOM 0 HE21 GLN A 101 12.063 2.396 0.739 1.00 0.00 H new ATOM 0 HE22 GLN A 101 13.723 1.858 0.460 1.00 0.00 H new ATOM 1522 N HIS A 102 8.478 0.747 -3.510 1.00 0.00 N ATOM 1523 CA HIS A 102 7.852 0.269 -4.749 1.00 0.00 C ATOM 1524 C HIS A 102 8.132 -1.203 -5.108 1.00 0.00 C ATOM 1525 O HIS A 102 7.246 -1.867 -5.644 1.00 0.00 O ATOM 1526 CB HIS A 102 8.162 1.237 -5.899 1.00 0.00 C ATOM 1527 CG HIS A 102 7.730 2.659 -5.622 1.00 0.00 C ATOM 1528 ND1 HIS A 102 8.514 3.794 -5.656 1.00 0.00 N ATOM 1529 CD2 HIS A 102 6.486 3.056 -5.215 1.00 0.00 C ATOM 1530 CE1 HIS A 102 7.757 4.836 -5.281 1.00 0.00 C ATOM 1531 NE2 HIS A 102 6.499 4.442 -5.036 1.00 0.00 N ATOM 0 H HIS A 102 7.774 1.066 -2.844 1.00 0.00 H new ATOM 0 HA HIS A 102 6.778 0.268 -4.565 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.234 1.223 -6.096 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.667 0.885 -6.804 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.498 3.834 -5.920 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.637 2.408 -5.058 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.112 5.852 -5.189 1.00 0.00 H new ATOM 1539 N ALA A 103 9.298 -1.749 -4.749 1.00 0.00 N ATOM 1540 CA ALA A 103 9.654 -3.152 -4.917 1.00 0.00 C ATOM 1541 C ALA A 103 8.723 -4.082 -4.130 1.00 0.00 C ATOM 1542 O ALA A 103 8.380 -5.166 -4.601 1.00 0.00 O ATOM 1543 CB ALA A 103 11.103 -3.341 -4.447 1.00 0.00 C ATOM 0 H ALA A 103 10.043 -1.202 -4.318 1.00 0.00 H new ATOM 0 HA ALA A 103 9.550 -3.415 -5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.390 -4.386 -4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 103 11.764 -2.714 -5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.185 -3.058 -3.398 1.00 0.00 H new ATOM 1549 N ILE A 104 8.315 -3.670 -2.923 1.00 0.00 N ATOM 1550 CA ILE A 104 7.366 -4.436 -2.117 1.00 0.00 C ATOM 1551 C ILE A 104 6.039 -4.490 -2.885 1.00 0.00 C ATOM 1552 O ILE A 104 5.455 -5.565 -3.038 1.00 0.00 O ATOM 1553 CB ILE A 104 7.230 -3.808 -0.706 1.00 0.00 C ATOM 1554 CG1 ILE A 104 8.591 -3.809 0.033 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.168 -4.549 0.131 1.00 0.00 C ATOM 1556 CD1 ILE A 104 8.585 -3.029 1.353 1.00 0.00 C ATOM 0 H ILE A 104 8.631 -2.805 -2.484 1.00 0.00 H new ATOM 0 HA ILE A 104 7.713 -5.457 -1.955 1.00 0.00 H new ATOM 0 HB ILE A 104 6.906 -2.775 -0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 104 8.883 -4.840 0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.350 -3.385 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.094 -4.087 1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.202 -4.490 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.456 -5.594 0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 104 9.574 -3.078 1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.325 -1.988 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 104 7.851 -3.466 2.030 1.00 0.00 H new ATOM 1568 N SER A 105 5.590 -3.344 -3.404 1.00 0.00 N ATOM 1569 CA SER A 105 4.335 -3.209 -4.117 1.00 0.00 C ATOM 1570 C SER A 105 4.296 -4.131 -5.331 1.00 0.00 C ATOM 1571 O SER A 105 3.310 -4.843 -5.504 1.00 0.00 O ATOM 1572 CB SER A 105 4.133 -1.746 -4.535 1.00 0.00 C ATOM 1573 OG SER A 105 4.683 -0.873 -3.563 1.00 0.00 O ATOM 0 H SER A 105 6.108 -2.468 -3.334 1.00 0.00 H new ATOM 0 HA SER A 105 3.521 -3.503 -3.454 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.606 -1.569 -5.501 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.070 -1.540 -4.658 1.00 0.00 H new ATOM 0 HG SER A 105 4.000 -0.655 -2.895 1.00 0.00 H new ATOM 1579 N THR A 106 5.346 -4.164 -6.157 1.00 0.00 N ATOM 1580 CA THR A 106 5.326 -4.980 -7.359 1.00 0.00 C ATOM 1581 C THR A 106 5.235 -6.456 -7.005 1.00 0.00 C ATOM 1582 O THR A 106 4.329 -7.127 -7.493 1.00 0.00 O ATOM 1583 CB THR A 106 6.530 -4.679 -8.257 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.727 -4.535 -7.519 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.294 -3.384 -9.019 1.00 0.00 C ATOM 0 H THR A 106 6.208 -3.639 -6.012 1.00 0.00 H new ATOM 0 HA THR A 106 4.434 -4.724 -7.930 1.00 0.00 H new ATOM 0 HB THR A 106 6.635 -5.525 -8.936 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.621 -4.952 -6.639 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.153 -3.175 -9.656 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.401 -3.482 -9.636 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.159 -2.565 -8.312 1.00 0.00 H new ATOM 1593 N GLU A 107 6.111 -6.962 -6.135 1.00 0.00 N ATOM 1594 CA GLU A 107 6.136 -8.385 -5.826 1.00 0.00 C ATOM 1595 C GLU A 107 4.793 -8.832 -5.236 1.00 0.00 C ATOM 1596 O GLU A 107 4.279 -9.886 -5.619 1.00 0.00 O ATOM 1597 CB GLU A 107 7.312 -8.711 -4.893 1.00 0.00 C ATOM 1598 CG GLU A 107 8.685 -8.490 -5.553 1.00 0.00 C ATOM 1599 CD GLU A 107 8.898 -9.365 -6.801 1.00 0.00 C ATOM 1600 OE1 GLU A 107 9.258 -10.557 -6.658 1.00 0.00 O ATOM 1601 OE2 GLU A 107 8.720 -8.861 -7.933 1.00 0.00 O ATOM 0 H GLU A 107 6.807 -6.408 -5.637 1.00 0.00 H new ATOM 0 HA GLU A 107 6.287 -8.945 -6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.241 -8.092 -3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.234 -9.749 -4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.784 -7.441 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.470 -8.704 -4.827 1.00 0.00 H new ATOM 1608 N LYS A 108 4.183 -8.010 -4.373 1.00 0.00 N ATOM 1609 CA LYS A 108 2.854 -8.294 -3.844 1.00 0.00 C ATOM 1610 C LYS A 108 1.807 -8.278 -4.949 1.00 0.00 C ATOM 1611 O LYS A 108 1.103 -9.273 -5.103 1.00 0.00 O ATOM 1612 CB LYS A 108 2.495 -7.309 -2.722 1.00 0.00 C ATOM 1613 CG LYS A 108 3.259 -7.617 -1.428 1.00 0.00 C ATOM 1614 CD LYS A 108 2.752 -6.739 -0.271 1.00 0.00 C ATOM 1615 CE LYS A 108 3.297 -7.170 1.101 1.00 0.00 C ATOM 1616 NZ LYS A 108 3.004 -8.595 1.407 1.00 0.00 N ATOM 0 H LYS A 108 4.594 -7.142 -4.029 1.00 0.00 H new ATOM 0 HA LYS A 108 2.866 -9.298 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.721 -6.293 -3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.423 -7.352 -2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.139 -8.669 -1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.325 -7.446 -1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.036 -5.703 -0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.663 -6.772 -0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.375 -7.010 1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.863 -6.538 1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 2.824 -8.701 2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.165 -8.899 0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.818 -9.183 1.136 1.00 0.00 H new ATOM 1630 N ILE A 109 1.678 -7.189 -5.710 1.00 0.00 N ATOM 1631 CA ILE A 109 0.584 -7.051 -6.669 1.00 0.00 C ATOM 1632 C ILE A 109 0.713 -8.142 -7.744 1.00 0.00 C ATOM 1633 O ILE A 109 -0.297 -8.768 -8.055 1.00 0.00 O ATOM 1634 CB ILE A 109 0.494 -5.608 -7.232 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.233 -4.566 -6.112 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.660 -5.479 -8.252 1.00 0.00 C ATOM 1637 CD1 ILE A 109 0.548 -3.124 -6.538 1.00 0.00 C ATOM 0 H ILE A 109 2.316 -6.394 -5.680 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.372 -7.206 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 109 1.455 -5.412 -7.708 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.811 -4.627 -5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.837 -4.820 -5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.699 -4.457 -8.630 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.491 -6.166 -9.081 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.605 -5.722 -7.765 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.344 -2.447 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.599 -3.049 -6.818 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.075 -2.852 -7.390 1.00 0.00 H new ATOM 1649 N LYS A 110 1.921 -8.453 -8.249 1.00 0.00 N ATOM 1650 CA LYS A 110 2.125 -9.551 -9.208 1.00 0.00 C ATOM 1651 C LYS A 110 1.557 -10.857 -8.645 1.00 0.00 C ATOM 1652 O LYS A 110 0.867 -11.584 -9.358 1.00 0.00 O ATOM 1653 CB LYS A 110 3.621 -9.785 -9.510 1.00 0.00 C ATOM 1654 CG LYS A 110 4.403 -8.702 -10.271 1.00 0.00 C ATOM 1655 CD LYS A 110 5.896 -9.062 -10.182 1.00 0.00 C ATOM 1656 CE LYS A 110 6.811 -8.021 -10.833 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.243 -8.339 -10.611 1.00 0.00 N ATOM 0 H LYS A 110 2.776 -7.954 -8.005 1.00 0.00 H new ATOM 0 HA LYS A 110 1.613 -9.263 -10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.127 -9.950 -8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.701 -10.711 -10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.081 -8.656 -11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.219 -7.719 -9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.173 -9.174 -9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.059 -10.028 -10.660 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.609 -7.976 -11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.589 -7.035 -10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.833 -7.587 -11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.429 -8.407 -9.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.472 -9.246 -11.066 1.00 0.00 H new ATOM 1786 N VAL A 118 3.445 -6.249 -13.298 1.00 0.00 N ATOM 1787 CA VAL A 118 3.569 -5.009 -12.547 1.00 0.00 C ATOM 1788 C VAL A 118 5.076 -4.730 -12.498 1.00 0.00 C ATOM 1789 O VAL A 118 5.840 -5.661 -12.234 1.00 0.00 O ATOM 1790 CB VAL A 118 3.018 -5.197 -11.110 1.00 0.00 C ATOM 1791 CG1 VAL A 118 2.779 -3.875 -10.360 1.00 0.00 C ATOM 1792 CG2 VAL A 118 1.737 -6.044 -11.039 1.00 0.00 C ATOM 0 HA VAL A 118 3.010 -4.192 -13.004 1.00 0.00 H new ATOM 0 HB VAL A 118 3.820 -5.741 -10.612 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.394 -4.087 -9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.718 -3.328 -10.278 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.055 -3.272 -10.908 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.414 -6.129 -10.001 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.952 -5.566 -11.625 1.00 0.00 H new ATOM 0 HG23 VAL A 118 1.935 -7.038 -11.440 1.00 0.00 H new ATOM 1802 N THR A 119 5.524 -3.496 -12.709 1.00 0.00 N ATOM 1803 CA THR A 119 6.936 -3.121 -12.604 1.00 0.00 C ATOM 1804 C THR A 119 7.068 -1.785 -11.865 1.00 0.00 C ATOM 1805 O THR A 119 6.069 -1.112 -11.595 1.00 0.00 O ATOM 1806 CB THR A 119 7.586 -3.087 -14.004 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.772 -2.388 -14.930 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.845 -4.497 -14.542 1.00 0.00 C ATOM 0 H THR A 119 4.913 -2.718 -12.960 1.00 0.00 H new ATOM 0 HA THR A 119 7.472 -3.870 -12.021 1.00 0.00 H new ATOM 0 HB THR A 119 8.538 -2.569 -13.891 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.904 -1.423 -14.819 1.00 0.00 H new ATOM 0 HG21 THR A 119 8.303 -4.431 -15.529 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.515 -5.027 -13.865 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.901 -5.038 -14.615 1.00 0.00 H new ATOM 1816 N TRP A 120 8.295 -1.393 -11.519 1.00 0.00 N ATOM 1817 CA TRP A 120 8.579 -0.081 -10.960 1.00 0.00 C ATOM 1818 C TRP A 120 9.900 0.420 -11.532 1.00 0.00 C ATOM 1819 O TRP A 120 10.779 -0.373 -11.885 1.00 0.00 O ATOM 1820 CB TRP A 120 8.617 -0.122 -9.420 1.00 0.00 C ATOM 1821 CG TRP A 120 9.814 -0.761 -8.788 1.00 0.00 C ATOM 1822 CD1 TRP A 120 9.974 -2.083 -8.566 1.00 0.00 C ATOM 1823 CD2 TRP A 120 11.037 -0.123 -8.294 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.206 -2.318 -7.998 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.903 -1.148 -7.799 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.509 1.211 -8.213 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 13.168 -0.873 -7.260 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.783 1.490 -7.673 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.608 0.456 -7.198 1.00 0.00 C ATOM 0 H TRP A 120 9.120 -1.984 -11.621 1.00 0.00 H new ATOM 0 HA TRP A 120 7.780 0.608 -11.235 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.545 0.901 -9.052 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.728 -0.649 -9.073 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.244 -2.844 -8.799 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.558 -3.244 -7.755 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.889 2.021 -8.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.795 -1.675 -6.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 13.129 2.512 -7.624 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.580 0.685 -6.786 1.00 0.00 H new