USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 602 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 60 SER OG : rot -132:sc= 2.27 USER MOD Set 1.2: A 62 THR OG1 : rot -55:sc= 1.14 USER MOD Set 2.1: A 5 THR OG1 : rot -80:sc= 1.66 USER MOD Set 2.2: A 8 GLN : amide:sc= 1.8 K(o=3.5,f=-1.3!) USER MOD Single : A 1 ARG N :NH3+ 138:sc= 0.0116 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -178:sc= 0.804 (180deg=0.777) USER MOD Single : A 10 GLN : amide:sc= 1.17 K(o=1.2,f=-0.49) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0846 USER MOD Single : A 24 SER OG : rot 83:sc= 1.01 USER MOD Single : A 26 THR OG1 : rot 31:sc= 0.718 USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0489) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -168:sc= -1.49 (180deg=-2.43) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= 0.737 (180deg=0.571) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0389) USER MOD Single : A 49 LYS NZ :NH3+ 171:sc=-0.00396 (180deg=-0.0867) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 75:sc= 1.17 USER MOD Single : A 57 LYS NZ :NH3+ 168:sc=-0.00406 (180deg=-0.141) USER MOD Single : A 70 THR OG1 : rot 75:sc= 1.15 USER MOD Single : A 71 MET CE :methyl -167:sc= -0.0235 (180deg=-0.236) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 80:sc= 1.19 USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= 0.248 (180deg=0.115) USER MOD Single : A 76 MET CE :methyl -175:sc= 0 (180deg=-0.0229) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 15.435 18.839 -1.785 1.00 0.00 N ATOM 2 CA ARG A 1 15.150 18.939 -3.227 1.00 0.00 C ATOM 3 C ARG A 1 13.642 18.921 -3.480 1.00 0.00 C ATOM 4 O ARG A 1 12.914 18.158 -2.851 1.00 0.00 O ATOM 5 CB ARG A 1 15.862 17.819 -4.002 1.00 0.00 C ATOM 6 CG ARG A 1 15.388 17.739 -5.461 1.00 0.00 C ATOM 7 CD ARG A 1 16.345 16.936 -6.344 1.00 0.00 C ATOM 8 NE ARG A 1 17.649 17.597 -6.483 1.00 0.00 N ATOM 9 CZ ARG A 1 17.872 18.764 -7.105 1.00 0.00 C ATOM 10 NH1 ARG A 1 16.886 19.416 -7.735 1.00 0.00 N ATOM 11 NH2 ARG A 1 19.106 19.276 -7.097 1.00 0.00 N ATOM 0 H1 ARG A 1 16.233 18.189 -1.633 1.00 0.00 H new ATOM 0 H2 ARG A 1 15.679 19.779 -1.413 1.00 0.00 H new ATOM 0 H3 ARG A 1 14.595 18.478 -1.289 1.00 0.00 H new ATOM 0 HA ARG A 1 15.538 19.891 -3.591 1.00 0.00 H new ATOM 0 HB2 ARG A 1 16.938 17.990 -3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 1 15.680 16.864 -3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.399 17.282 -5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 1 15.287 18.747 -5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 1 16.485 15.943 -5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 1 15.901 16.799 -7.330 1.00 0.00 H new ATOM 0 HE ARG A 1 18.455 17.128 -6.071 1.00 0.00 H new ATOM 0 HH11 ARG A 1 15.944 19.026 -7.748 1.00 0.00 H new ATOM 0 HH12 ARG A 1 17.078 20.302 -8.202 1.00 0.00 H new ATOM 0 HH21 ARG A 1 19.861 18.780 -6.623 1.00 0.00 H new ATOM 0 HH22 ARG A 1 19.293 20.163 -7.565 1.00 0.00 H new ATOM 25 N VAL A 2 13.181 19.721 -4.445 1.00 0.00 N ATOM 26 CA VAL A 2 11.789 19.793 -4.878 1.00 0.00 C ATOM 27 C VAL A 2 11.391 18.562 -5.711 1.00 0.00 C ATOM 28 O VAL A 2 10.768 18.693 -6.764 1.00 0.00 O ATOM 29 CB VAL A 2 11.566 21.113 -5.646 1.00 0.00 C ATOM 30 CG1 VAL A 2 11.726 22.316 -4.706 1.00 0.00 C ATOM 31 CG2 VAL A 2 12.512 21.285 -6.849 1.00 0.00 C ATOM 0 H VAL A 2 13.789 20.356 -4.962 1.00 0.00 H new ATOM 0 HA VAL A 2 11.140 19.786 -4.003 1.00 0.00 H new ATOM 0 HB VAL A 2 10.548 21.066 -6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.565 23.238 -5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.995 22.248 -3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.731 22.317 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 2 12.302 22.233 -7.344 1.00 0.00 H new ATOM 0 HG22 VAL A 2 13.546 21.277 -6.503 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.359 20.466 -7.552 1.00 0.00 H new ATOM 41 N GLY A 3 11.751 17.358 -5.258 1.00 0.00 N ATOM 42 CA GLY A 3 11.577 16.118 -6.001 1.00 0.00 C ATOM 43 C GLY A 3 12.476 16.065 -7.241 1.00 0.00 C ATOM 44 O GLY A 3 13.412 15.272 -7.304 1.00 0.00 O ATOM 0 H GLY A 3 12.181 17.221 -4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.802 15.271 -5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.535 16.019 -6.304 1.00 0.00 H new ATOM 48 N LEU A 4 12.182 16.903 -8.233 1.00 0.00 N ATOM 49 CA LEU A 4 12.830 16.894 -9.532 1.00 0.00 C ATOM 50 C LEU A 4 14.246 17.473 -9.470 1.00 0.00 C ATOM 51 O LEU A 4 14.502 18.457 -8.772 1.00 0.00 O ATOM 52 CB LEU A 4 11.979 17.688 -10.523 1.00 0.00 C ATOM 53 CG LEU A 4 10.540 17.163 -10.666 1.00 0.00 C ATOM 54 CD1 LEU A 4 9.854 18.006 -11.737 1.00 0.00 C ATOM 55 CD2 LEU A 4 10.476 15.690 -11.085 1.00 0.00 C ATOM 0 H LEU A 4 11.466 17.625 -8.148 1.00 0.00 H new ATOM 0 HA LEU A 4 12.920 15.859 -9.861 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.946 18.730 -10.205 1.00 0.00 H new ATOM 0 HB3 LEU A 4 12.462 17.668 -11.500 1.00 0.00 H new ATOM 0 HG LEU A 4 10.051 17.237 -9.695 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.828 17.663 -11.868 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.851 19.052 -11.430 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.393 17.906 -12.679 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.434 15.380 -11.168 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.970 15.564 -12.048 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.978 15.077 -10.337 1.00 0.00 H new ATOM 67 N THR A 5 15.164 16.872 -10.230 1.00 0.00 N ATOM 68 CA THR A 5 16.498 17.408 -10.464 1.00 0.00 C ATOM 69 C THR A 5 16.412 18.669 -11.330 1.00 0.00 C ATOM 70 O THR A 5 15.407 18.906 -12.007 1.00 0.00 O ATOM 71 CB THR A 5 17.377 16.350 -11.141 1.00 0.00 C ATOM 72 OG1 THR A 5 16.769 15.912 -12.339 1.00 0.00 O ATOM 73 CG2 THR A 5 17.626 15.152 -10.219 1.00 0.00 C ATOM 0 H THR A 5 14.994 15.986 -10.706 1.00 0.00 H new ATOM 0 HA THR A 5 16.949 17.674 -9.508 1.00 0.00 H new ATOM 0 HB THR A 5 18.340 16.810 -11.365 1.00 0.00 H new ATOM 0 HG1 THR A 5 16.070 15.257 -12.131 1.00 0.00 H new ATOM 0 HG21 THR A 5 18.253 14.422 -10.732 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.129 15.489 -9.313 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.674 14.691 -9.956 1.00 0.00 H new ATOM 81 N GLU A 6 17.478 19.477 -11.348 1.00 0.00 N ATOM 82 CA GLU A 6 17.576 20.578 -12.301 1.00 0.00 C ATOM 83 C GLU A 6 17.468 20.036 -13.726 1.00 0.00 C ATOM 84 O GLU A 6 16.784 20.626 -14.552 1.00 0.00 O ATOM 85 CB GLU A 6 18.879 21.368 -12.114 1.00 0.00 C ATOM 86 CG GLU A 6 18.791 22.385 -10.968 1.00 0.00 C ATOM 87 CD GLU A 6 18.573 21.725 -9.614 1.00 0.00 C ATOM 88 OE1 GLU A 6 19.549 21.136 -9.103 1.00 0.00 O ATOM 89 OE2 GLU A 6 17.427 21.789 -9.118 1.00 0.00 O ATOM 0 H GLU A 6 18.276 19.388 -10.718 1.00 0.00 H new ATOM 0 HA GLU A 6 16.752 21.267 -12.118 1.00 0.00 H new ATOM 0 HB2 GLU A 6 19.696 20.674 -11.917 1.00 0.00 H new ATOM 0 HB3 GLU A 6 19.120 21.889 -13.040 1.00 0.00 H new ATOM 0 HG2 GLU A 6 19.708 22.973 -10.938 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.974 23.079 -11.165 1.00 0.00 H new ATOM 96 N GLU A 7 18.118 18.904 -14.004 1.00 0.00 N ATOM 97 CA GLU A 7 18.042 18.229 -15.291 1.00 0.00 C ATOM 98 C GLU A 7 16.579 17.944 -15.647 1.00 0.00 C ATOM 99 O GLU A 7 16.121 18.334 -16.716 1.00 0.00 O ATOM 100 CB GLU A 7 18.870 16.935 -15.260 1.00 0.00 C ATOM 101 CG GLU A 7 20.391 17.176 -15.204 1.00 0.00 C ATOM 102 CD GLU A 7 20.893 17.814 -13.908 1.00 0.00 C ATOM 103 OE1 GLU A 7 20.241 17.592 -12.863 1.00 0.00 O ATOM 104 OE2 GLU A 7 21.915 18.529 -13.986 1.00 0.00 O ATOM 0 H GLU A 7 18.718 18.429 -13.330 1.00 0.00 H new ATOM 0 HA GLU A 7 18.459 18.876 -16.062 1.00 0.00 H new ATOM 0 HB2 GLU A 7 18.572 16.344 -14.394 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.637 16.343 -16.145 1.00 0.00 H new ATOM 0 HG2 GLU A 7 20.901 16.223 -15.344 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.674 17.815 -16.040 1.00 0.00 H new ATOM 111 N GLN A 8 15.827 17.297 -14.749 1.00 0.00 N ATOM 112 CA GLN A 8 14.407 17.067 -14.992 1.00 0.00 C ATOM 113 C GLN A 8 13.675 18.382 -15.275 1.00 0.00 C ATOM 114 O GLN A 8 12.971 18.482 -16.278 1.00 0.00 O ATOM 115 CB GLN A 8 13.774 16.315 -13.817 1.00 0.00 C ATOM 116 CG GLN A 8 14.136 14.825 -13.851 1.00 0.00 C ATOM 117 CD GLN A 8 13.841 14.176 -12.505 1.00 0.00 C ATOM 118 OE1 GLN A 8 14.571 14.413 -11.546 1.00 0.00 O ATOM 119 NE2 GLN A 8 12.778 13.386 -12.403 1.00 0.00 N ATOM 0 H GLN A 8 16.175 16.931 -13.863 1.00 0.00 H new ATOM 0 HA GLN A 8 14.310 16.443 -15.881 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.112 16.752 -12.878 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.691 16.429 -13.850 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.569 14.324 -14.635 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.192 14.706 -14.096 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.193 13.210 -13.220 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.547 12.955 -11.508 1.00 0.00 H new ATOM 128 N LYS A 9 13.832 19.401 -14.423 1.00 0.00 N ATOM 129 CA LYS A 9 13.132 20.667 -14.637 1.00 0.00 C ATOM 130 C LYS A 9 13.501 21.297 -15.988 1.00 0.00 C ATOM 131 O LYS A 9 12.631 21.782 -16.710 1.00 0.00 O ATOM 132 CB LYS A 9 13.375 21.618 -13.458 1.00 0.00 C ATOM 133 CG LYS A 9 12.682 21.076 -12.198 1.00 0.00 C ATOM 134 CD LYS A 9 12.709 22.069 -11.026 1.00 0.00 C ATOM 135 CE LYS A 9 14.116 22.345 -10.488 1.00 0.00 C ATOM 136 NZ LYS A 9 14.784 21.109 -10.047 1.00 0.00 N ATOM 0 H LYS A 9 14.426 19.374 -13.595 1.00 0.00 H new ATOM 0 HA LYS A 9 12.061 20.466 -14.680 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.445 21.723 -13.279 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.993 22.611 -13.695 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.647 20.831 -12.436 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.167 20.149 -11.893 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.261 23.009 -11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.090 21.681 -10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.714 22.825 -11.263 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.056 23.043 -9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.720 21.340 -9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.209 20.646 -9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.895 20.466 -10.857 1.00 0.00 H new ATOM 150 N GLN A 10 14.782 21.259 -16.350 1.00 0.00 N ATOM 151 CA GLN A 10 15.304 21.725 -17.620 1.00 0.00 C ATOM 152 C GLN A 10 14.619 20.983 -18.775 1.00 0.00 C ATOM 153 O GLN A 10 14.063 21.612 -19.674 1.00 0.00 O ATOM 154 CB GLN A 10 16.826 21.524 -17.576 1.00 0.00 C ATOM 155 CG GLN A 10 17.556 21.852 -18.873 1.00 0.00 C ATOM 156 CD GLN A 10 17.446 23.326 -19.253 1.00 0.00 C ATOM 157 OE1 GLN A 10 17.425 24.200 -18.395 1.00 0.00 O ATOM 158 NE2 GLN A 10 17.367 23.620 -20.545 1.00 0.00 N ATOM 0 H GLN A 10 15.508 20.887 -15.738 1.00 0.00 H new ATOM 0 HA GLN A 10 15.096 22.781 -17.791 1.00 0.00 H new ATOM 0 HB2 GLN A 10 17.236 22.144 -16.779 1.00 0.00 H new ATOM 0 HB3 GLN A 10 17.033 20.487 -17.312 1.00 0.00 H new ATOM 0 HG2 GLN A 10 18.608 21.585 -18.771 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.149 21.242 -19.679 1.00 0.00 H new ATOM 0 HE21 GLN A 10 17.387 22.874 -21.240 1.00 0.00 H new ATOM 0 HE22 GLN A 10 17.287 24.592 -20.843 1.00 0.00 H new ATOM 167 N GLU A 11 14.636 19.648 -18.746 1.00 0.00 N ATOM 168 CA GLU A 11 13.964 18.818 -19.740 1.00 0.00 C ATOM 169 C GLU A 11 12.487 19.211 -19.861 1.00 0.00 C ATOM 170 O GLU A 11 11.981 19.416 -20.963 1.00 0.00 O ATOM 171 CB GLU A 11 14.110 17.336 -19.366 1.00 0.00 C ATOM 172 CG GLU A 11 15.553 16.837 -19.526 1.00 0.00 C ATOM 173 CD GLU A 11 15.733 15.463 -18.886 1.00 0.00 C ATOM 174 OE1 GLU A 11 15.207 14.495 -19.475 1.00 0.00 O ATOM 175 OE2 GLU A 11 16.379 15.406 -17.816 1.00 0.00 O ATOM 0 H GLU A 11 15.121 19.112 -18.026 1.00 0.00 H new ATOM 0 HA GLU A 11 14.432 18.979 -20.711 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.789 17.190 -18.335 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.449 16.738 -19.993 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.808 16.785 -20.585 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.240 17.548 -19.067 1.00 0.00 H new ATOM 182 N ILE A 12 11.793 19.328 -18.727 1.00 0.00 N ATOM 183 CA ILE A 12 10.386 19.711 -18.697 1.00 0.00 C ATOM 184 C ILE A 12 10.200 21.101 -19.319 1.00 0.00 C ATOM 185 O ILE A 12 9.263 21.302 -20.089 1.00 0.00 O ATOM 186 CB ILE A 12 9.840 19.594 -17.261 1.00 0.00 C ATOM 187 CG1 ILE A 12 9.849 18.109 -16.845 1.00 0.00 C ATOM 188 CG2 ILE A 12 8.409 20.139 -17.138 1.00 0.00 C ATOM 189 CD1 ILE A 12 9.640 17.926 -15.341 1.00 0.00 C ATOM 0 H ILE A 12 12.194 19.159 -17.804 1.00 0.00 H new ATOM 0 HA ILE A 12 9.796 19.027 -19.307 1.00 0.00 H new ATOM 0 HB ILE A 12 10.479 20.190 -16.609 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.066 17.578 -17.386 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.798 17.659 -17.135 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.067 20.035 -16.108 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.395 21.192 -17.420 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.748 19.577 -17.798 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.654 16.863 -15.098 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.438 18.433 -14.798 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.678 18.351 -15.053 1.00 0.00 H new ATOM 201 N ARG A 13 11.084 22.058 -19.022 1.00 0.00 N ATOM 202 CA ARG A 13 11.027 23.370 -19.652 1.00 0.00 C ATOM 203 C ARG A 13 11.208 23.255 -21.167 1.00 0.00 C ATOM 204 O ARG A 13 10.456 23.872 -21.917 1.00 0.00 O ATOM 205 CB ARG A 13 12.033 24.342 -19.015 1.00 0.00 C ATOM 206 CG ARG A 13 12.038 25.731 -19.680 1.00 0.00 C ATOM 207 CD ARG A 13 10.695 26.463 -19.565 1.00 0.00 C ATOM 208 NE ARG A 13 10.701 27.711 -20.341 1.00 0.00 N ATOM 209 CZ ARG A 13 9.684 28.583 -20.375 1.00 0.00 C ATOM 210 NH1 ARG A 13 8.612 28.397 -19.599 1.00 0.00 N ATOM 211 NH2 ARG A 13 9.749 29.641 -21.190 1.00 0.00 N ATOM 0 H ARG A 13 11.844 21.944 -18.351 1.00 0.00 H new ATOM 0 HA ARG A 13 10.036 23.789 -19.477 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.800 24.454 -17.956 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.033 23.913 -19.078 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.817 26.342 -19.224 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.295 25.621 -20.734 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.893 25.815 -19.920 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.487 26.684 -18.518 1.00 0.00 H new ATOM 0 HE ARG A 13 11.533 27.928 -20.889 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.566 27.589 -18.978 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.840 29.063 -19.628 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.569 29.780 -21.781 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.979 30.309 -21.221 1.00 0.00 H new ATOM 225 N GLU A 14 12.185 22.473 -21.634 1.00 0.00 N ATOM 226 CA GLU A 14 12.384 22.263 -23.064 1.00 0.00 C ATOM 227 C GLU A 14 11.119 21.682 -23.707 1.00 0.00 C ATOM 228 O GLU A 14 10.629 22.210 -24.706 1.00 0.00 O ATOM 229 CB GLU A 14 13.607 21.371 -23.309 1.00 0.00 C ATOM 230 CG GLU A 14 14.909 22.101 -22.946 1.00 0.00 C ATOM 231 CD GLU A 14 16.133 21.194 -23.043 1.00 0.00 C ATOM 232 OE1 GLU A 14 16.070 20.220 -23.825 1.00 0.00 O ATOM 233 OE2 GLU A 14 17.117 21.502 -22.336 1.00 0.00 O ATOM 0 H GLU A 14 12.849 21.976 -21.040 1.00 0.00 H new ATOM 0 HA GLU A 14 12.577 23.226 -23.537 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.520 20.460 -22.717 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.636 21.069 -24.356 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.040 22.955 -23.610 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.831 22.494 -21.932 1.00 0.00 H new ATOM 240 N ALA A 15 10.578 20.607 -23.125 1.00 0.00 N ATOM 241 CA ALA A 15 9.345 19.991 -23.596 1.00 0.00 C ATOM 242 C ALA A 15 8.223 21.030 -23.664 1.00 0.00 C ATOM 243 O ALA A 15 7.594 21.200 -24.708 1.00 0.00 O ATOM 244 CB ALA A 15 8.969 18.818 -22.687 1.00 0.00 C ATOM 0 H ALA A 15 10.987 20.143 -22.314 1.00 0.00 H new ATOM 0 HA ALA A 15 9.497 19.604 -24.603 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.046 18.362 -23.045 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.769 18.077 -22.699 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.824 19.179 -21.669 1.00 0.00 H new ATOM 250 N PHE A 16 8.001 21.747 -22.555 1.00 0.00 N ATOM 251 CA PHE A 16 7.039 22.835 -22.481 1.00 0.00 C ATOM 252 C PHE A 16 7.225 23.774 -23.670 1.00 0.00 C ATOM 253 O PHE A 16 6.310 23.947 -24.469 1.00 0.00 O ATOM 254 CB PHE A 16 7.182 23.603 -21.157 1.00 0.00 C ATOM 255 CG PHE A 16 6.259 24.803 -21.047 1.00 0.00 C ATOM 256 CD1 PHE A 16 4.938 24.623 -20.604 1.00 0.00 C ATOM 257 CD2 PHE A 16 6.678 26.070 -21.494 1.00 0.00 C ATOM 258 CE1 PHE A 16 4.029 25.693 -20.636 1.00 0.00 C ATOM 259 CE2 PHE A 16 5.758 27.130 -21.566 1.00 0.00 C ATOM 260 CZ PHE A 16 4.430 26.937 -21.146 1.00 0.00 C ATOM 0 H PHE A 16 8.494 21.580 -21.678 1.00 0.00 H new ATOM 0 HA PHE A 16 6.034 22.415 -22.517 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.981 22.923 -20.329 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.214 23.938 -21.051 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.620 23.658 -20.237 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.707 26.228 -21.782 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.022 25.558 -20.268 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.071 28.092 -21.944 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.719 27.747 -21.216 1.00 0.00 H new ATOM 270 N ASP A 17 8.418 24.361 -23.786 1.00 0.00 N ATOM 271 CA ASP A 17 8.761 25.321 -24.820 1.00 0.00 C ATOM 272 C ASP A 17 8.412 24.776 -26.205 1.00 0.00 C ATOM 273 O ASP A 17 7.751 25.457 -26.984 1.00 0.00 O ATOM 274 CB ASP A 17 10.246 25.682 -24.714 1.00 0.00 C ATOM 275 CG ASP A 17 10.637 26.716 -25.763 1.00 0.00 C ATOM 276 OD1 ASP A 17 10.459 27.916 -25.467 1.00 0.00 O ATOM 277 OD2 ASP A 17 11.110 26.285 -26.838 1.00 0.00 O ATOM 0 H ASP A 17 9.187 24.172 -23.143 1.00 0.00 H new ATOM 0 HA ASP A 17 8.175 26.229 -24.675 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.458 26.072 -23.718 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.851 24.784 -24.841 1.00 0.00 H new ATOM 282 N LEU A 18 8.830 23.540 -26.498 1.00 0.00 N ATOM 283 CA LEU A 18 8.502 22.900 -27.763 1.00 0.00 C ATOM 284 C LEU A 18 6.989 22.847 -27.965 1.00 0.00 C ATOM 285 O LEU A 18 6.502 23.265 -29.011 1.00 0.00 O ATOM 286 CB LEU A 18 9.144 21.510 -27.858 1.00 0.00 C ATOM 287 CG LEU A 18 8.808 20.830 -29.200 1.00 0.00 C ATOM 288 CD1 LEU A 18 10.033 20.107 -29.756 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.666 19.816 -29.063 1.00 0.00 C ATOM 0 H LEU A 18 9.396 22.968 -25.872 1.00 0.00 H new ATOM 0 HA LEU A 18 8.918 23.500 -28.572 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.225 21.598 -27.753 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.794 20.888 -27.034 1.00 0.00 H new ATOM 0 HG LEU A 18 8.494 21.622 -29.880 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.777 19.633 -30.704 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.838 20.825 -29.915 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.360 19.347 -29.047 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.464 19.362 -30.033 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.951 19.041 -28.352 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.770 20.323 -28.706 1.00 0.00 H new ATOM 301 N PHE A 19 6.241 22.320 -26.992 1.00 0.00 N ATOM 302 CA PHE A 19 4.793 22.194 -27.125 1.00 0.00 C ATOM 303 C PHE A 19 4.123 23.562 -27.291 1.00 0.00 C ATOM 304 O PHE A 19 3.152 23.702 -28.037 1.00 0.00 O ATOM 305 CB PHE A 19 4.209 21.475 -25.903 1.00 0.00 C ATOM 306 CG PHE A 19 4.731 20.078 -25.615 1.00 0.00 C ATOM 307 CD1 PHE A 19 4.943 19.156 -26.658 1.00 0.00 C ATOM 308 CD2 PHE A 19 4.858 19.652 -24.278 1.00 0.00 C ATOM 309 CE1 PHE A 19 5.357 17.842 -26.371 1.00 0.00 C ATOM 310 CE2 PHE A 19 5.225 18.327 -23.991 1.00 0.00 C ATOM 311 CZ PHE A 19 5.509 17.430 -25.035 1.00 0.00 C ATOM 0 H PHE A 19 6.615 21.976 -26.108 1.00 0.00 H new ATOM 0 HA PHE A 19 4.593 21.607 -28.022 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.393 22.094 -25.025 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.128 21.414 -26.029 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.787 19.459 -27.683 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.673 20.346 -23.472 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.558 17.151 -27.176 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.289 17.996 -22.965 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.843 16.427 -24.812 1.00 0.00 H new ATOM 321 N ASP A 20 4.644 24.579 -26.605 1.00 0.00 N ATOM 322 CA ASP A 20 4.118 25.939 -26.500 1.00 0.00 C ATOM 323 C ASP A 20 4.300 26.757 -27.790 1.00 0.00 C ATOM 324 O ASP A 20 4.438 27.979 -27.727 1.00 0.00 O ATOM 325 CB ASP A 20 4.862 26.586 -25.323 1.00 0.00 C ATOM 326 CG ASP A 20 4.266 27.882 -24.804 1.00 0.00 C ATOM 327 OD1 ASP A 20 3.068 27.862 -24.456 1.00 0.00 O ATOM 328 OD2 ASP A 20 5.035 28.861 -24.697 1.00 0.00 O ATOM 0 H ASP A 20 5.505 24.466 -26.071 1.00 0.00 H new ATOM 0 HA ASP A 20 3.040 25.913 -26.339 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.900 25.870 -24.502 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.891 26.776 -25.627 1.00 0.00 H new ATOM 333 N THR A 21 4.263 26.085 -28.947 1.00 0.00 N ATOM 334 CA THR A 21 4.539 26.601 -30.283 1.00 0.00 C ATOM 335 C THR A 21 3.903 27.973 -30.504 1.00 0.00 C ATOM 336 O THR A 21 4.585 28.951 -30.798 1.00 0.00 O ATOM 337 CB THR A 21 4.015 25.593 -31.322 1.00 0.00 C ATOM 338 OG1 THR A 21 2.654 25.278 -31.073 1.00 0.00 O ATOM 339 CG2 THR A 21 4.804 24.281 -31.332 1.00 0.00 C ATOM 0 H THR A 21 4.021 25.094 -28.970 1.00 0.00 H new ATOM 0 HA THR A 21 5.616 26.727 -30.393 1.00 0.00 H new ATOM 0 HB THR A 21 4.134 26.080 -32.290 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.338 24.637 -31.744 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.387 23.612 -32.085 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.848 24.486 -31.567 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.739 23.810 -30.351 1.00 0.00 H new ATOM 347 N ASP A 22 2.577 28.013 -30.371 1.00 0.00 N ATOM 348 CA ASP A 22 1.770 29.222 -30.445 1.00 0.00 C ATOM 349 C ASP A 22 1.458 29.730 -29.036 1.00 0.00 C ATOM 350 O ASP A 22 1.272 30.928 -28.835 1.00 0.00 O ATOM 351 CB ASP A 22 0.472 28.880 -31.188 1.00 0.00 C ATOM 352 CG ASP A 22 -0.543 30.016 -31.116 1.00 0.00 C ATOM 353 OD1 ASP A 22 -0.392 30.966 -31.911 1.00 0.00 O ATOM 354 OD2 ASP A 22 -1.455 29.903 -30.267 1.00 0.00 O ATOM 0 H ASP A 22 2.021 27.175 -30.203 1.00 0.00 H new ATOM 0 HA ASP A 22 2.309 30.007 -30.975 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.698 28.661 -32.232 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.037 27.977 -30.760 1.00 0.00 H new ATOM 359 N GLY A 23 1.462 28.822 -28.056 1.00 0.00 N ATOM 360 CA GLY A 23 1.079 29.081 -26.679 1.00 0.00 C ATOM 361 C GLY A 23 1.852 30.236 -26.041 1.00 0.00 C ATOM 362 O GLY A 23 1.313 30.935 -25.184 1.00 0.00 O ATOM 0 H GLY A 23 1.743 27.854 -28.213 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.012 29.303 -26.642 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.237 28.178 -26.090 1.00 0.00 H new ATOM 366 N SER A 24 3.109 30.432 -26.458 1.00 0.00 N ATOM 367 CA SER A 24 3.936 31.591 -26.141 1.00 0.00 C ATOM 368 C SER A 24 3.763 32.109 -24.709 1.00 0.00 C ATOM 369 O SER A 24 3.453 33.280 -24.496 1.00 0.00 O ATOM 370 CB SER A 24 3.616 32.693 -27.147 1.00 0.00 C ATOM 371 OG SER A 24 3.735 32.215 -28.472 1.00 0.00 O ATOM 0 H SER A 24 3.593 29.756 -27.050 1.00 0.00 H new ATOM 0 HA SER A 24 4.978 31.280 -26.209 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.604 33.062 -26.979 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.292 33.535 -26.998 1.00 0.00 H new ATOM 0 HG SER A 24 2.912 31.748 -28.727 1.00 0.00 H new ATOM 377 N GLY A 25 3.970 31.228 -23.734 1.00 0.00 N ATOM 378 CA GLY A 25 3.740 31.487 -22.322 1.00 0.00 C ATOM 379 C GLY A 25 2.795 30.448 -21.727 1.00 0.00 C ATOM 380 O GLY A 25 3.027 29.982 -20.611 1.00 0.00 O ATOM 0 H GLY A 25 4.314 30.285 -23.914 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.689 31.471 -21.786 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.318 32.484 -22.195 1.00 0.00 H new ATOM 384 N THR A 26 1.731 30.085 -22.452 1.00 0.00 N ATOM 385 CA THR A 26 0.697 29.189 -21.955 1.00 0.00 C ATOM 386 C THR A 26 0.332 28.156 -23.025 1.00 0.00 C ATOM 387 O THR A 26 -0.160 28.538 -24.085 1.00 0.00 O ATOM 388 CB THR A 26 -0.525 30.031 -21.564 1.00 0.00 C ATOM 389 OG1 THR A 26 -1.004 30.753 -22.684 1.00 0.00 O ATOM 390 CG2 THR A 26 -0.231 31.036 -20.448 1.00 0.00 C ATOM 0 H THR A 26 1.568 30.410 -23.405 1.00 0.00 H new ATOM 0 HA THR A 26 1.057 28.645 -21.082 1.00 0.00 H new ATOM 0 HB THR A 26 -1.270 29.323 -21.201 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.820 30.247 -23.503 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.135 31.600 -20.218 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.101 30.503 -19.557 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.551 31.722 -20.773 1.00 0.00 H new ATOM 398 N ILE A 27 0.485 26.861 -22.737 1.00 0.00 N ATOM 399 CA ILE A 27 0.174 25.799 -23.690 1.00 0.00 C ATOM 400 C ILE A 27 -1.344 25.704 -23.806 1.00 0.00 C ATOM 401 O ILE A 27 -2.005 25.334 -22.839 1.00 0.00 O ATOM 402 CB ILE A 27 0.789 24.471 -23.207 1.00 0.00 C ATOM 403 CG1 ILE A 27 2.307 24.531 -23.409 1.00 0.00 C ATOM 404 CG2 ILE A 27 0.248 23.243 -23.955 1.00 0.00 C ATOM 405 CD1 ILE A 27 3.010 23.304 -22.835 1.00 0.00 C ATOM 0 H ILE A 27 0.827 26.522 -21.838 1.00 0.00 H new ATOM 0 HA ILE A 27 0.596 26.016 -24.671 1.00 0.00 H new ATOM 0 HB ILE A 27 0.519 24.357 -22.157 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.528 24.610 -24.473 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.701 25.430 -22.934 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.722 22.342 -23.566 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.831 23.176 -23.812 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.468 23.339 -25.018 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.084 23.389 -23.001 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.812 23.238 -21.765 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.637 22.407 -23.329 1.00 0.00 H new ATOM 417 N ASP A 28 -1.908 26.021 -24.972 1.00 0.00 N ATOM 418 CA ASP A 28 -3.333 25.859 -25.215 1.00 0.00 C ATOM 419 C ASP A 28 -3.720 24.381 -25.126 1.00 0.00 C ATOM 420 O ASP A 28 -2.931 23.516 -25.509 1.00 0.00 O ATOM 421 CB ASP A 28 -3.695 26.439 -26.588 1.00 0.00 C ATOM 422 CG ASP A 28 -5.187 26.297 -26.882 1.00 0.00 C ATOM 423 OD1 ASP A 28 -5.931 27.231 -26.516 1.00 0.00 O ATOM 424 OD2 ASP A 28 -5.555 25.244 -27.448 1.00 0.00 O ATOM 0 H ASP A 28 -1.390 26.395 -25.767 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.892 26.401 -24.452 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.415 27.492 -26.624 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.121 25.929 -27.362 1.00 0.00 H new ATOM 429 N ALA A 29 -4.942 24.094 -24.663 1.00 0.00 N ATOM 430 CA ALA A 29 -5.515 22.751 -24.645 1.00 0.00 C ATOM 431 C ALA A 29 -5.141 21.917 -25.881 1.00 0.00 C ATOM 432 O ALA A 29 -4.710 20.774 -25.748 1.00 0.00 O ATOM 433 CB ALA A 29 -7.036 22.857 -24.506 1.00 0.00 C ATOM 0 H ALA A 29 -5.569 24.804 -24.284 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.093 22.224 -23.789 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.471 21.857 -24.492 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.281 23.373 -23.578 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.440 23.417 -25.350 1.00 0.00 H new ATOM 439 N LYS A 30 -5.280 22.488 -27.083 1.00 0.00 N ATOM 440 CA LYS A 30 -4.932 21.812 -28.326 1.00 0.00 C ATOM 441 C LYS A 30 -3.458 21.388 -28.332 1.00 0.00 C ATOM 442 O LYS A 30 -3.139 20.240 -28.637 1.00 0.00 O ATOM 443 CB LYS A 30 -5.265 22.728 -29.513 1.00 0.00 C ATOM 444 CG LYS A 30 -5.147 21.991 -30.852 1.00 0.00 C ATOM 445 CD LYS A 30 -5.481 22.942 -32.010 1.00 0.00 C ATOM 446 CE LYS A 30 -5.499 22.212 -33.359 1.00 0.00 C ATOM 447 NZ LYS A 30 -4.190 21.619 -33.686 1.00 0.00 N ATOM 0 H LYS A 30 -5.638 23.434 -27.215 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.521 20.899 -28.415 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.277 23.116 -29.400 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.593 23.586 -29.510 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.137 21.600 -30.973 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.824 21.137 -30.866 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.453 23.403 -31.833 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.747 23.747 -32.042 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.256 21.428 -33.336 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.787 22.910 -34.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.223 21.210 -34.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.457 22.355 -33.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.965 20.873 -32.997 1.00 0.00 H new ATOM 461 N GLU A 31 -2.554 22.312 -27.993 1.00 0.00 N ATOM 462 CA GLU A 31 -1.129 22.021 -27.907 1.00 0.00 C ATOM 463 C GLU A 31 -0.895 20.909 -26.879 1.00 0.00 C ATOM 464 O GLU A 31 -0.116 19.992 -27.127 1.00 0.00 O ATOM 465 CB GLU A 31 -0.339 23.290 -27.550 1.00 0.00 C ATOM 466 CG GLU A 31 -0.313 24.333 -28.677 1.00 0.00 C ATOM 467 CD GLU A 31 0.278 25.657 -28.197 1.00 0.00 C ATOM 468 OE1 GLU A 31 -0.300 26.225 -27.245 1.00 0.00 O ATOM 469 OE2 GLU A 31 1.292 26.092 -28.787 1.00 0.00 O ATOM 0 H GLU A 31 -2.793 23.279 -27.772 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.771 21.676 -28.877 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.775 23.741 -26.658 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.685 23.012 -27.299 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.274 23.953 -29.513 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.325 24.497 -29.046 1.00 0.00 H new ATOM 476 N LEU A 32 -1.576 20.968 -25.730 1.00 0.00 N ATOM 477 CA LEU A 32 -1.444 19.920 -24.723 1.00 0.00 C ATOM 478 C LEU A 32 -1.921 18.569 -25.273 1.00 0.00 C ATOM 479 O LEU A 32 -1.286 17.546 -25.039 1.00 0.00 O ATOM 480 CB LEU A 32 -2.178 20.285 -23.423 1.00 0.00 C ATOM 481 CG LEU A 32 -1.574 19.557 -22.205 1.00 0.00 C ATOM 482 CD1 LEU A 32 -0.288 20.226 -21.697 1.00 0.00 C ATOM 483 CD2 LEU A 32 -2.616 19.495 -21.082 1.00 0.00 C ATOM 0 H LEU A 32 -2.216 21.722 -25.479 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.386 19.829 -24.479 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.126 21.362 -23.266 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.233 20.027 -23.515 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.302 18.550 -22.522 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.095 19.673 -20.839 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.459 20.228 -22.491 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.504 21.252 -21.400 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.191 18.981 -20.220 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.903 20.507 -20.796 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.495 18.953 -21.431 1.00 0.00 H new ATOM 495 N LYS A 33 -3.038 18.541 -26.004 1.00 0.00 N ATOM 496 CA LYS A 33 -3.534 17.326 -26.640 1.00 0.00 C ATOM 497 C LYS A 33 -2.499 16.778 -27.627 1.00 0.00 C ATOM 498 O LYS A 33 -2.181 15.589 -27.584 1.00 0.00 O ATOM 499 CB LYS A 33 -4.906 17.600 -27.265 1.00 0.00 C ATOM 500 CG LYS A 33 -5.554 16.331 -27.833 1.00 0.00 C ATOM 501 CD LYS A 33 -6.960 16.647 -28.356 1.00 0.00 C ATOM 502 CE LYS A 33 -7.633 15.385 -28.910 1.00 0.00 C ATOM 503 NZ LYS A 33 -8.968 15.685 -29.456 1.00 0.00 N ATOM 0 H LYS A 33 -3.621 19.361 -26.169 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.679 16.540 -25.899 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.564 18.035 -26.513 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.799 18.337 -28.061 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.940 15.929 -28.639 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.609 15.564 -27.060 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.566 17.065 -27.552 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.900 17.405 -29.137 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.008 14.950 -29.690 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.720 14.640 -28.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.397 14.812 -29.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.570 16.078 -28.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.880 16.378 -30.227 1.00 0.00 H new ATOM 517 N VAL A 34 -1.945 17.633 -28.493 1.00 0.00 N ATOM 518 CA VAL A 34 -0.854 17.240 -29.382 1.00 0.00 C ATOM 519 C VAL A 34 0.303 16.649 -28.566 1.00 0.00 C ATOM 520 O VAL A 34 0.808 15.573 -28.890 1.00 0.00 O ATOM 521 CB VAL A 34 -0.414 18.432 -30.253 1.00 0.00 C ATOM 522 CG1 VAL A 34 0.882 18.131 -31.019 1.00 0.00 C ATOM 523 CG2 VAL A 34 -1.511 18.781 -31.269 1.00 0.00 C ATOM 0 H VAL A 34 -2.238 18.605 -28.595 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.201 16.462 -30.062 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.238 19.271 -29.580 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.158 18.997 -31.621 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.681 17.912 -30.311 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.728 17.270 -31.670 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.188 19.625 -31.878 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.699 17.921 -31.911 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.426 19.045 -30.740 1.00 0.00 H new ATOM 533 N ALA A 35 0.716 17.338 -27.499 1.00 0.00 N ATOM 534 CA ALA A 35 1.767 16.865 -26.613 1.00 0.00 C ATOM 535 C ALA A 35 1.448 15.462 -26.103 1.00 0.00 C ATOM 536 O ALA A 35 2.259 14.554 -26.240 1.00 0.00 O ATOM 537 CB ALA A 35 1.966 17.844 -25.452 1.00 0.00 C ATOM 0 H ALA A 35 0.326 18.241 -27.230 1.00 0.00 H new ATOM 0 HA ALA A 35 2.700 16.812 -27.174 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.756 17.476 -24.797 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.246 18.822 -25.844 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.038 17.932 -24.887 1.00 0.00 H new ATOM 543 N MET A 36 0.261 15.269 -25.527 1.00 0.00 N ATOM 544 CA MET A 36 -0.174 13.983 -25.009 1.00 0.00 C ATOM 545 C MET A 36 -0.164 12.906 -26.095 1.00 0.00 C ATOM 546 O MET A 36 0.305 11.796 -25.840 1.00 0.00 O ATOM 547 CB MET A 36 -1.524 14.137 -24.301 1.00 0.00 C ATOM 548 CG MET A 36 -1.284 14.683 -22.886 1.00 0.00 C ATOM 549 SD MET A 36 -2.756 14.965 -21.878 1.00 0.00 S ATOM 550 CE MET A 36 -3.510 16.290 -22.836 1.00 0.00 C ATOM 0 H MET A 36 -0.428 16.012 -25.409 1.00 0.00 H new ATOM 0 HA MET A 36 0.538 13.635 -24.261 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.169 14.814 -24.862 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.036 13.176 -24.252 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.634 13.986 -22.356 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.741 15.624 -22.970 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.317 16.742 -22.260 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.759 17.047 -23.064 1.00 0.00 H new ATOM 0 HE3 MET A 36 -3.911 15.885 -23.765 1.00 0.00 H new ATOM 560 N ARG A 37 -0.632 13.218 -27.307 1.00 0.00 N ATOM 561 CA ARG A 37 -0.521 12.290 -28.429 1.00 0.00 C ATOM 562 C ARG A 37 0.945 11.906 -28.652 1.00 0.00 C ATOM 563 O ARG A 37 1.274 10.723 -28.679 1.00 0.00 O ATOM 564 CB ARG A 37 -1.146 12.880 -29.702 1.00 0.00 C ATOM 565 CG ARG A 37 -2.665 13.083 -29.602 1.00 0.00 C ATOM 566 CD ARG A 37 -3.463 11.901 -30.170 1.00 0.00 C ATOM 567 NE ARG A 37 -3.245 10.670 -29.400 1.00 0.00 N ATOM 568 CZ ARG A 37 -3.493 9.428 -29.835 1.00 0.00 C ATOM 569 NH1 ARG A 37 -4.069 9.220 -31.025 1.00 0.00 N ATOM 570 NH2 ARG A 37 -3.159 8.395 -29.058 1.00 0.00 N ATOM 0 H ARG A 37 -1.088 14.102 -27.533 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.079 11.385 -28.187 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.673 13.838 -29.919 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.930 12.220 -30.542 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.939 13.232 -28.557 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.941 13.992 -30.136 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.525 12.146 -30.169 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.176 11.735 -31.208 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.874 10.769 -28.455 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.325 10.013 -31.613 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.252 8.268 -31.344 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.723 8.559 -28.151 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.340 7.441 -29.372 1.00 0.00 H new ATOM 584 N ALA A 38 1.837 12.894 -28.772 1.00 0.00 N ATOM 585 CA ALA A 38 3.267 12.643 -28.943 1.00 0.00 C ATOM 586 C ALA A 38 3.832 11.787 -27.801 1.00 0.00 C ATOM 587 O ALA A 38 4.630 10.885 -28.032 1.00 0.00 O ATOM 588 CB ALA A 38 4.020 13.970 -29.074 1.00 0.00 C ATOM 0 H ALA A 38 1.588 13.883 -28.753 1.00 0.00 H new ATOM 0 HA ALA A 38 3.407 12.074 -29.862 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.085 13.773 -29.201 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.646 14.517 -29.940 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.866 14.566 -28.175 1.00 0.00 H new ATOM 594 N LEU A 39 3.395 12.057 -26.568 1.00 0.00 N ATOM 595 CA LEU A 39 3.763 11.309 -25.370 1.00 0.00 C ATOM 596 C LEU A 39 3.103 9.918 -25.322 1.00 0.00 C ATOM 597 O LEU A 39 3.357 9.164 -24.386 1.00 0.00 O ATOM 598 CB LEU A 39 3.378 12.128 -24.125 1.00 0.00 C ATOM 599 CG LEU A 39 4.152 13.447 -23.944 1.00 0.00 C ATOM 600 CD1 LEU A 39 3.374 14.379 -23.001 1.00 0.00 C ATOM 601 CD2 LEU A 39 5.549 13.186 -23.371 1.00 0.00 C ATOM 0 H LEU A 39 2.755 12.827 -26.373 1.00 0.00 H new ATOM 0 HA LEU A 39 4.840 11.145 -25.392 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.313 12.354 -24.173 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.533 11.510 -23.241 1.00 0.00 H new ATOM 0 HG LEU A 39 4.261 13.919 -24.920 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.925 15.311 -22.875 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.393 14.591 -23.427 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.252 13.896 -22.031 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.076 14.133 -23.252 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.459 12.697 -22.401 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.107 12.543 -24.051 1.00 0.00 H new ATOM 613 N GLY A 40 2.260 9.561 -26.297 1.00 0.00 N ATOM 614 CA GLY A 40 1.678 8.231 -26.414 1.00 0.00 C ATOM 615 C GLY A 40 0.449 8.027 -25.528 1.00 0.00 C ATOM 616 O GLY A 40 0.073 6.888 -25.258 1.00 0.00 O ATOM 0 H GLY A 40 1.963 10.200 -27.034 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.401 8.054 -27.453 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.432 7.488 -26.154 1.00 0.00 H new ATOM 620 N PHE A 41 -0.210 9.108 -25.102 1.00 0.00 N ATOM 621 CA PHE A 41 -1.487 9.024 -24.403 1.00 0.00 C ATOM 622 C PHE A 41 -2.623 8.901 -25.416 1.00 0.00 C ATOM 623 O PHE A 41 -2.480 9.294 -26.574 1.00 0.00 O ATOM 624 CB PHE A 41 -1.716 10.280 -23.554 1.00 0.00 C ATOM 625 CG PHE A 41 -0.916 10.340 -22.269 1.00 0.00 C ATOM 626 CD1 PHE A 41 0.458 10.633 -22.317 1.00 0.00 C ATOM 627 CD2 PHE A 41 -1.531 10.080 -21.030 1.00 0.00 C ATOM 628 CE1 PHE A 41 1.227 10.611 -21.141 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.764 10.072 -19.851 1.00 0.00 C ATOM 630 CZ PHE A 41 0.618 10.318 -19.909 1.00 0.00 C ATOM 0 H PHE A 41 0.129 10.061 -25.233 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.468 8.148 -23.755 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.474 11.156 -24.156 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.776 10.345 -23.308 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.924 10.876 -23.261 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.593 9.887 -20.985 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.286 10.819 -21.184 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.238 9.877 -18.900 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.212 10.282 -19.008 1.00 0.00 H new ATOM 640 N GLU A 42 -3.771 8.403 -24.953 1.00 0.00 N ATOM 641 CA GLU A 42 -5.027 8.403 -25.685 1.00 0.00 C ATOM 642 C GLU A 42 -5.904 9.504 -25.072 1.00 0.00 C ATOM 643 O GLU A 42 -6.482 9.274 -24.008 1.00 0.00 O ATOM 644 CB GLU A 42 -5.694 7.027 -25.558 1.00 0.00 C ATOM 645 CG GLU A 42 -4.836 5.925 -26.196 1.00 0.00 C ATOM 646 CD GLU A 42 -5.540 4.573 -26.138 1.00 0.00 C ATOM 647 OE1 GLU A 42 -5.823 4.132 -25.004 1.00 0.00 O ATOM 648 OE2 GLU A 42 -5.793 4.015 -27.227 1.00 0.00 O ATOM 0 H GLU A 42 -3.849 7.977 -24.030 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.874 8.597 -26.747 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.859 6.797 -24.505 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.673 7.050 -26.037 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.622 6.182 -27.233 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.878 5.862 -25.679 1.00 0.00 H new ATOM 655 N PRO A 43 -5.978 10.706 -25.669 1.00 0.00 N ATOM 656 CA PRO A 43 -6.672 11.832 -25.067 1.00 0.00 C ATOM 657 C PRO A 43 -8.194 11.648 -25.082 1.00 0.00 C ATOM 658 O PRO A 43 -8.908 12.221 -25.905 1.00 0.00 O ATOM 659 CB PRO A 43 -6.192 13.080 -25.812 1.00 0.00 C ATOM 660 CG PRO A 43 -5.773 12.537 -27.172 1.00 0.00 C ATOM 661 CD PRO A 43 -5.244 11.141 -26.846 1.00 0.00 C ATOM 0 HA PRO A 43 -6.437 11.925 -24.007 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.984 13.824 -25.902 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.360 13.561 -25.297 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.613 12.497 -27.865 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.007 13.159 -27.635 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.402 10.458 -27.680 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.172 11.164 -26.652 1.00 0.00 H new ATOM 669 N LYS A 44 -8.689 10.870 -24.119 1.00 0.00 N ATOM 670 CA LYS A 44 -10.101 10.705 -23.818 1.00 0.00 C ATOM 671 C LYS A 44 -10.708 12.064 -23.446 1.00 0.00 C ATOM 672 O LYS A 44 -10.697 12.457 -22.280 1.00 0.00 O ATOM 673 CB LYS A 44 -10.243 9.679 -22.685 1.00 0.00 C ATOM 674 CG LYS A 44 -9.836 8.277 -23.165 1.00 0.00 C ATOM 675 CD LYS A 44 -9.692 7.277 -22.007 1.00 0.00 C ATOM 676 CE LYS A 44 -8.458 7.524 -21.125 1.00 0.00 C ATOM 677 NZ LYS A 44 -7.197 7.436 -21.887 1.00 0.00 N ATOM 0 H LYS A 44 -8.089 10.318 -23.506 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.644 10.333 -24.687 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.620 9.974 -21.841 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.274 9.662 -22.330 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.581 7.907 -23.869 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.891 8.341 -23.705 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.586 7.323 -21.386 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.639 6.268 -22.415 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.534 8.510 -20.666 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.442 6.795 -20.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.393 7.423 -21.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.194 6.564 -22.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.114 8.259 -22.517 1.00 0.00 H new ATOM 691 N LYS A 45 -11.218 12.771 -24.460 1.00 0.00 N ATOM 692 CA LYS A 45 -11.686 14.153 -24.421 1.00 0.00 C ATOM 693 C LYS A 45 -12.301 14.597 -23.088 1.00 0.00 C ATOM 694 O LYS A 45 -11.897 15.622 -22.547 1.00 0.00 O ATOM 695 CB LYS A 45 -12.598 14.434 -25.627 1.00 0.00 C ATOM 696 CG LYS A 45 -13.842 13.538 -25.715 1.00 0.00 C ATOM 697 CD LYS A 45 -14.588 13.817 -27.028 1.00 0.00 C ATOM 698 CE LYS A 45 -15.812 12.908 -27.198 1.00 0.00 C ATOM 699 NZ LYS A 45 -16.840 13.160 -26.171 1.00 0.00 N ATOM 0 H LYS A 45 -11.320 12.363 -25.389 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.797 14.779 -24.498 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.919 15.475 -25.587 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.016 14.315 -26.541 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.551 12.489 -25.667 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.498 13.726 -24.865 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.905 14.860 -27.050 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.909 13.672 -27.868 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.243 13.063 -28.187 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.498 11.865 -27.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.676 12.572 -26.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.459 12.922 -25.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.111 14.164 -26.190 1.00 0.00 H new ATOM 713 N GLU A 46 -13.267 13.851 -22.544 1.00 0.00 N ATOM 714 CA GLU A 46 -13.902 14.215 -21.281 1.00 0.00 C ATOM 715 C GLU A 46 -12.865 14.272 -20.155 1.00 0.00 C ATOM 716 O GLU A 46 -12.774 15.255 -19.420 1.00 0.00 O ATOM 717 CB GLU A 46 -15.021 13.215 -20.958 1.00 0.00 C ATOM 718 CG GLU A 46 -15.791 13.629 -19.694 1.00 0.00 C ATOM 719 CD GLU A 46 -16.882 12.631 -19.315 1.00 0.00 C ATOM 720 OE1 GLU A 46 -17.262 11.827 -20.195 1.00 0.00 O ATOM 721 OE2 GLU A 46 -17.325 12.701 -18.149 1.00 0.00 O ATOM 0 H GLU A 46 -13.624 12.992 -22.961 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.342 15.208 -21.373 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -15.709 13.151 -21.801 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -14.595 12.222 -20.818 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.092 13.729 -18.864 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.240 14.609 -19.852 1.00 0.00 H new ATOM 728 N GLU A 47 -12.081 13.202 -20.024 1.00 0.00 N ATOM 729 CA GLU A 47 -11.079 13.080 -18.981 1.00 0.00 C ATOM 730 C GLU A 47 -10.036 14.178 -19.170 1.00 0.00 C ATOM 731 O GLU A 47 -9.607 14.807 -18.207 1.00 0.00 O ATOM 732 CB GLU A 47 -10.445 11.680 -19.016 1.00 0.00 C ATOM 733 CG GLU A 47 -11.485 10.549 -19.068 1.00 0.00 C ATOM 734 CD GLU A 47 -12.534 10.669 -17.966 1.00 0.00 C ATOM 735 OE1 GLU A 47 -12.184 10.327 -16.816 1.00 0.00 O ATOM 736 OE2 GLU A 47 -13.656 11.114 -18.293 1.00 0.00 O ATOM 0 H GLU A 47 -12.128 12.394 -20.645 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.539 13.202 -18.000 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.792 11.605 -19.885 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.818 11.549 -18.134 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.980 10.559 -20.039 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.977 9.589 -18.979 1.00 0.00 H new ATOM 743 N ILE A 48 -9.656 14.428 -20.424 1.00 0.00 N ATOM 744 CA ILE A 48 -8.742 15.505 -20.774 1.00 0.00 C ATOM 745 C ILE A 48 -9.309 16.857 -20.331 1.00 0.00 C ATOM 746 O ILE A 48 -8.591 17.638 -19.714 1.00 0.00 O ATOM 747 CB ILE A 48 -8.424 15.448 -22.276 1.00 0.00 C ATOM 748 CG1 ILE A 48 -7.671 14.154 -22.625 1.00 0.00 C ATOM 749 CG2 ILE A 48 -7.639 16.679 -22.748 1.00 0.00 C ATOM 750 CD1 ILE A 48 -6.184 14.195 -22.263 1.00 0.00 C ATOM 0 H ILE A 48 -9.977 13.884 -21.225 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.800 15.379 -20.241 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.376 15.451 -22.807 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.140 13.319 -22.105 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.771 13.962 -23.693 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.437 16.594 -23.816 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -8.225 17.578 -22.560 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.696 16.740 -22.204 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.717 13.249 -22.537 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.700 15.009 -22.803 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.075 14.356 -21.190 1.00 0.00 H new ATOM 762 N LYS A 49 -10.577 17.151 -20.625 1.00 0.00 N ATOM 763 CA LYS A 49 -11.197 18.398 -20.194 1.00 0.00 C ATOM 764 C LYS A 49 -11.153 18.518 -18.668 1.00 0.00 C ATOM 765 O LYS A 49 -10.752 19.561 -18.149 1.00 0.00 O ATOM 766 CB LYS A 49 -12.634 18.505 -20.726 1.00 0.00 C ATOM 767 CG LYS A 49 -12.695 18.765 -22.239 1.00 0.00 C ATOM 768 CD LYS A 49 -12.412 20.237 -22.580 1.00 0.00 C ATOM 769 CE LYS A 49 -12.441 20.486 -24.093 1.00 0.00 C ATOM 770 NZ LYS A 49 -13.773 20.231 -24.673 1.00 0.00 N ATOM 0 H LYS A 49 -11.193 16.539 -21.161 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.630 19.230 -20.611 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.169 17.583 -20.499 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.150 19.310 -20.203 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.969 18.129 -22.746 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.680 18.488 -22.615 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.152 20.872 -22.093 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.437 20.521 -22.183 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.149 21.516 -24.296 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.706 19.845 -24.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.789 20.555 -25.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.977 19.212 -24.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.493 20.746 -24.128 1.00 0.00 H new ATOM 784 N LYS A 50 -11.549 17.462 -17.949 1.00 0.00 N ATOM 785 CA LYS A 50 -11.483 17.449 -16.490 1.00 0.00 C ATOM 786 C LYS A 50 -10.058 17.771 -16.020 1.00 0.00 C ATOM 787 O LYS A 50 -9.849 18.748 -15.302 1.00 0.00 O ATOM 788 CB LYS A 50 -11.963 16.099 -15.937 1.00 0.00 C ATOM 789 CG LYS A 50 -13.454 15.823 -16.186 1.00 0.00 C ATOM 790 CD LYS A 50 -14.363 16.647 -15.265 1.00 0.00 C ATOM 791 CE LYS A 50 -15.825 16.236 -15.473 1.00 0.00 C ATOM 792 NZ LYS A 50 -16.729 17.001 -14.596 1.00 0.00 N ATOM 0 H LYS A 50 -11.919 16.604 -18.359 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.149 18.220 -16.102 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.375 15.301 -16.390 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.771 16.067 -14.865 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.694 16.048 -17.225 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.654 14.762 -16.036 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.077 16.493 -14.224 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.241 17.710 -15.475 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -16.105 16.396 -16.514 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.937 15.170 -15.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.710 16.699 -14.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.476 16.829 -13.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.639 18.016 -14.805 1.00 0.00 H new ATOM 806 N MET A 51 -9.084 16.968 -16.454 1.00 0.00 N ATOM 807 CA MET A 51 -7.671 17.121 -16.155 1.00 0.00 C ATOM 808 C MET A 51 -7.220 18.565 -16.394 1.00 0.00 C ATOM 809 O MET A 51 -6.771 19.241 -15.468 1.00 0.00 O ATOM 810 CB MET A 51 -6.931 16.089 -17.018 1.00 0.00 C ATOM 811 CG MET A 51 -5.410 16.071 -16.884 1.00 0.00 C ATOM 812 SD MET A 51 -4.508 17.284 -17.887 1.00 0.00 S ATOM 813 CE MET A 51 -2.840 16.610 -17.754 1.00 0.00 C ATOM 0 H MET A 51 -9.274 16.161 -17.048 1.00 0.00 H new ATOM 0 HA MET A 51 -7.448 16.933 -15.105 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.310 15.098 -16.768 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.182 16.272 -18.063 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.156 16.234 -15.837 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.054 15.075 -17.147 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.148 17.237 -18.317 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.539 16.587 -16.707 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.823 15.598 -18.158 1.00 0.00 H new ATOM 823 N ILE A 52 -7.370 19.049 -17.629 1.00 0.00 N ATOM 824 CA ILE A 52 -7.010 20.407 -18.008 1.00 0.00 C ATOM 825 C ILE A 52 -7.647 21.401 -17.044 1.00 0.00 C ATOM 826 O ILE A 52 -6.951 22.267 -16.531 1.00 0.00 O ATOM 827 CB ILE A 52 -7.389 20.674 -19.480 1.00 0.00 C ATOM 828 CG1 ILE A 52 -6.383 19.935 -20.383 1.00 0.00 C ATOM 829 CG2 ILE A 52 -7.420 22.175 -19.823 1.00 0.00 C ATOM 830 CD1 ILE A 52 -6.732 20.020 -21.870 1.00 0.00 C ATOM 0 H ILE A 52 -7.750 18.498 -18.399 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.930 20.535 -17.936 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.400 20.303 -19.647 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.388 20.352 -20.225 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.340 18.887 -20.086 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.692 22.303 -20.871 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.154 22.677 -19.193 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.435 22.609 -19.648 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.984 19.480 -22.451 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.713 19.577 -22.039 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.747 21.065 -22.181 1.00 0.00 H new ATOM 842 N SER A 53 -8.949 21.284 -16.774 1.00 0.00 N ATOM 843 CA SER A 53 -9.623 22.210 -15.875 1.00 0.00 C ATOM 844 C SER A 53 -9.009 22.182 -14.474 1.00 0.00 C ATOM 845 O SER A 53 -8.733 23.234 -13.904 1.00 0.00 O ATOM 846 CB SER A 53 -11.124 21.914 -15.835 1.00 0.00 C ATOM 847 OG SER A 53 -11.662 21.967 -17.142 1.00 0.00 O ATOM 0 H SER A 53 -9.551 20.559 -17.165 1.00 0.00 H new ATOM 0 HA SER A 53 -9.484 23.220 -16.261 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.297 20.929 -15.401 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.629 22.638 -15.195 1.00 0.00 H new ATOM 0 HG SER A 53 -11.398 21.163 -17.637 1.00 0.00 H new ATOM 853 N GLU A 54 -8.785 20.987 -13.920 1.00 0.00 N ATOM 854 CA GLU A 54 -8.176 20.836 -12.606 1.00 0.00 C ATOM 855 C GLU A 54 -6.799 21.506 -12.562 1.00 0.00 C ATOM 856 O GLU A 54 -6.486 22.212 -11.606 1.00 0.00 O ATOM 857 CB GLU A 54 -8.093 19.350 -12.233 1.00 0.00 C ATOM 858 CG GLU A 54 -9.487 18.766 -11.965 1.00 0.00 C ATOM 859 CD GLU A 54 -9.425 17.257 -11.755 1.00 0.00 C ATOM 860 OE1 GLU A 54 -9.412 16.540 -12.780 1.00 0.00 O ATOM 861 OE2 GLU A 54 -9.383 16.849 -10.574 1.00 0.00 O ATOM 0 H GLU A 54 -9.021 20.104 -14.372 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.802 21.337 -11.868 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.613 18.796 -13.040 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.469 19.229 -11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.919 19.240 -11.084 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.146 18.992 -12.804 1.00 0.00 H new ATOM 868 N ILE A 55 -5.968 21.287 -13.585 1.00 0.00 N ATOM 869 CA ILE A 55 -4.637 21.885 -13.634 1.00 0.00 C ATOM 870 C ILE A 55 -4.717 23.395 -13.902 1.00 0.00 C ATOM 871 O ILE A 55 -3.905 24.167 -13.386 1.00 0.00 O ATOM 872 CB ILE A 55 -3.789 21.159 -14.698 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.627 19.654 -14.412 1.00 0.00 C ATOM 874 CG2 ILE A 55 -2.408 21.807 -14.868 1.00 0.00 C ATOM 875 CD1 ILE A 55 -3.043 19.316 -13.035 1.00 0.00 C ATOM 0 H ILE A 55 -6.196 20.700 -14.388 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.154 21.765 -12.664 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.344 21.261 -15.631 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.602 19.175 -14.504 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.985 19.221 -15.179 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.843 21.265 -15.626 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.529 22.845 -15.178 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.870 21.771 -13.921 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.967 18.234 -12.927 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.052 19.760 -12.941 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.694 19.713 -12.256 1.00 0.00 H new ATOM 887 N ASP A 56 -5.678 23.835 -14.717 1.00 0.00 N ATOM 888 CA ASP A 56 -5.741 25.204 -15.198 1.00 0.00 C ATOM 889 C ASP A 56 -6.391 26.109 -14.153 1.00 0.00 C ATOM 890 O ASP A 56 -7.509 26.587 -14.336 1.00 0.00 O ATOM 891 CB ASP A 56 -6.473 25.265 -16.545 1.00 0.00 C ATOM 892 CG ASP A 56 -6.465 26.665 -17.148 1.00 0.00 C ATOM 893 OD1 ASP A 56 -5.795 27.551 -16.572 1.00 0.00 O ATOM 894 OD2 ASP A 56 -7.157 26.838 -18.174 1.00 0.00 O ATOM 0 H ASP A 56 -6.435 23.244 -15.060 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.727 25.570 -15.360 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.005 24.570 -17.242 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.503 24.936 -16.411 1.00 0.00 H new ATOM 899 N LYS A 57 -5.639 26.429 -13.103 1.00 0.00 N ATOM 900 CA LYS A 57 -6.027 27.396 -12.082 1.00 0.00 C ATOM 901 C LYS A 57 -6.316 28.798 -12.655 1.00 0.00 C ATOM 902 O LYS A 57 -6.905 29.626 -11.965 1.00 0.00 O ATOM 903 CB LYS A 57 -4.933 27.486 -11.006 1.00 0.00 C ATOM 904 CG LYS A 57 -4.418 26.137 -10.478 1.00 0.00 C ATOM 905 CD LYS A 57 -5.544 25.221 -9.978 1.00 0.00 C ATOM 906 CE LYS A 57 -4.995 23.894 -9.441 1.00 0.00 C ATOM 907 NZ LYS A 57 -4.131 24.080 -8.262 1.00 0.00 N ATOM 0 H LYS A 57 -4.723 26.013 -12.935 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.958 27.037 -11.644 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.090 28.043 -11.414 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.320 28.063 -10.166 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.868 25.629 -11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.714 26.316 -9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.105 25.728 -9.193 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.242 25.024 -10.792 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.826 23.239 -9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.430 23.393 -10.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.950 23.158 -7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.229 24.505 -8.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.604 24.708 -7.581 1.00 0.00 H new ATOM 921 N ASP A 58 -5.899 29.077 -13.896 1.00 0.00 N ATOM 922 CA ASP A 58 -6.123 30.344 -14.584 1.00 0.00 C ATOM 923 C ASP A 58 -7.430 30.288 -15.386 1.00 0.00 C ATOM 924 O ASP A 58 -7.936 31.314 -15.832 1.00 0.00 O ATOM 925 CB ASP A 58 -4.907 30.629 -15.478 1.00 0.00 C ATOM 926 CG ASP A 58 -5.037 31.935 -16.253 1.00 0.00 C ATOM 927 OD1 ASP A 58 -5.175 32.985 -15.591 1.00 0.00 O ATOM 928 OD2 ASP A 58 -4.968 31.859 -17.500 1.00 0.00 O ATOM 0 H ASP A 58 -5.382 28.404 -14.462 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.229 31.158 -13.867 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.009 30.666 -14.861 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.778 29.806 -16.181 1.00 0.00 H new ATOM 933 N GLY A 59 -7.974 29.081 -15.570 1.00 0.00 N ATOM 934 CA GLY A 59 -9.243 28.802 -16.209 1.00 0.00 C ATOM 935 C GLY A 59 -9.400 29.432 -17.595 1.00 0.00 C ATOM 936 O GLY A 59 -10.498 29.839 -17.968 1.00 0.00 O ATOM 0 H GLY A 59 -7.506 28.231 -15.255 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.363 27.722 -16.297 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.047 29.160 -15.566 1.00 0.00 H new ATOM 940 N SER A 60 -8.315 29.495 -18.371 1.00 0.00 N ATOM 941 CA SER A 60 -8.272 30.106 -19.691 1.00 0.00 C ATOM 942 C SER A 60 -8.345 29.071 -20.819 1.00 0.00 C ATOM 943 O SER A 60 -8.425 29.444 -21.986 1.00 0.00 O ATOM 944 CB SER A 60 -6.955 30.877 -19.773 1.00 0.00 C ATOM 945 OG SER A 60 -5.914 30.051 -19.278 1.00 0.00 O ATOM 0 H SER A 60 -7.416 29.108 -18.083 1.00 0.00 H new ATOM 0 HA SER A 60 -9.137 30.757 -19.820 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.750 31.167 -20.804 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.018 31.796 -19.190 1.00 0.00 H new ATOM 0 HG SER A 60 -5.366 30.560 -18.645 1.00 0.00 H new ATOM 951 N GLY A 61 -8.275 27.777 -20.487 1.00 0.00 N ATOM 952 CA GLY A 61 -8.112 26.704 -21.457 1.00 0.00 C ATOM 953 C GLY A 61 -6.649 26.592 -21.898 1.00 0.00 C ATOM 954 O GLY A 61 -6.359 26.032 -22.958 1.00 0.00 O ATOM 0 H GLY A 61 -8.331 27.448 -19.523 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.439 25.760 -21.021 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.745 26.891 -22.324 1.00 0.00 H new ATOM 958 N THR A 62 -5.726 27.115 -21.078 1.00 0.00 N ATOM 959 CA THR A 62 -4.300 27.088 -21.342 1.00 0.00 C ATOM 960 C THR A 62 -3.564 26.703 -20.056 1.00 0.00 C ATOM 961 O THR A 62 -4.052 26.979 -18.962 1.00 0.00 O ATOM 962 CB THR A 62 -3.824 28.447 -21.887 1.00 0.00 C ATOM 963 OG1 THR A 62 -3.771 29.408 -20.854 1.00 0.00 O ATOM 964 CG2 THR A 62 -4.708 29.014 -23.004 1.00 0.00 C ATOM 0 H THR A 62 -5.965 27.575 -20.199 1.00 0.00 H new ATOM 0 HA THR A 62 -4.079 26.344 -22.107 1.00 0.00 H new ATOM 0 HB THR A 62 -2.836 28.251 -22.303 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.645 29.464 -20.415 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.307 29.972 -23.334 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.725 28.319 -23.843 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.722 29.155 -22.630 1.00 0.00 H new ATOM 972 N ILE A 63 -2.410 26.045 -20.186 1.00 0.00 N ATOM 973 CA ILE A 63 -1.568 25.614 -19.084 1.00 0.00 C ATOM 974 C ILE A 63 -0.305 26.482 -19.082 1.00 0.00 C ATOM 975 O ILE A 63 0.533 26.363 -19.977 1.00 0.00 O ATOM 976 CB ILE A 63 -1.225 24.119 -19.240 1.00 0.00 C ATOM 977 CG1 ILE A 63 -2.441 23.221 -19.530 1.00 0.00 C ATOM 978 CG2 ILE A 63 -0.486 23.613 -17.998 1.00 0.00 C ATOM 979 CD1 ILE A 63 -3.566 23.311 -18.496 1.00 0.00 C ATOM 0 H ILE A 63 -2.028 25.792 -21.097 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.086 25.732 -18.132 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.582 24.051 -20.118 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.844 23.483 -20.508 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.104 22.186 -19.591 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.250 22.556 -18.121 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.437 24.179 -17.868 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.118 23.744 -17.120 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.379 22.644 -18.784 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.185 23.018 -17.518 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.936 24.335 -18.449 1.00 0.00 H new ATOM 991 N ASP A 64 -0.160 27.358 -18.084 1.00 0.00 N ATOM 992 CA ASP A 64 1.074 28.109 -17.871 1.00 0.00 C ATOM 993 C ASP A 64 2.201 27.150 -17.477 1.00 0.00 C ATOM 994 O ASP A 64 1.939 26.114 -16.868 1.00 0.00 O ATOM 995 CB ASP A 64 0.850 29.169 -16.783 1.00 0.00 C ATOM 996 CG ASP A 64 2.121 29.965 -16.501 1.00 0.00 C ATOM 997 OD1 ASP A 64 2.899 29.500 -15.638 1.00 0.00 O ATOM 998 OD2 ASP A 64 2.306 31.001 -17.172 1.00 0.00 O ATOM 0 H ASP A 64 -0.893 27.564 -17.405 1.00 0.00 H new ATOM 0 HA ASP A 64 1.361 28.615 -18.793 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.057 29.848 -17.095 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.513 28.684 -15.867 1.00 0.00 H new ATOM 1003 N PHE A 65 3.453 27.503 -17.786 1.00 0.00 N ATOM 1004 CA PHE A 65 4.621 26.705 -17.418 1.00 0.00 C ATOM 1005 C PHE A 65 4.579 26.226 -15.963 1.00 0.00 C ATOM 1006 O PHE A 65 4.841 25.057 -15.705 1.00 0.00 O ATOM 1007 CB PHE A 65 5.920 27.465 -17.708 1.00 0.00 C ATOM 1008 CG PHE A 65 7.175 26.736 -17.254 1.00 0.00 C ATOM 1009 CD1 PHE A 65 7.434 25.426 -17.701 1.00 0.00 C ATOM 1010 CD2 PHE A 65 8.043 27.332 -16.318 1.00 0.00 C ATOM 1011 CE1 PHE A 65 8.526 24.703 -17.190 1.00 0.00 C ATOM 1012 CE2 PHE A 65 9.150 26.618 -15.827 1.00 0.00 C ATOM 1013 CZ PHE A 65 9.389 25.301 -16.256 1.00 0.00 C ATOM 0 H PHE A 65 3.683 28.353 -18.300 1.00 0.00 H new ATOM 0 HA PHE A 65 4.595 25.811 -18.041 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.988 27.653 -18.780 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.878 28.437 -17.216 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.790 24.974 -18.441 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.858 28.340 -15.977 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.702 23.688 -17.515 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.819 27.083 -15.118 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.234 24.750 -15.869 1.00 0.00 H new ATOM 1023 N GLU A 66 4.224 27.097 -15.016 1.00 0.00 N ATOM 1024 CA GLU A 66 4.138 26.709 -13.612 1.00 0.00 C ATOM 1025 C GLU A 66 3.122 25.576 -13.418 1.00 0.00 C ATOM 1026 O GLU A 66 3.398 24.583 -12.742 1.00 0.00 O ATOM 1027 CB GLU A 66 3.783 27.933 -12.757 1.00 0.00 C ATOM 1028 CG GLU A 66 4.870 29.016 -12.839 1.00 0.00 C ATOM 1029 CD GLU A 66 4.531 30.217 -11.961 1.00 0.00 C ATOM 1030 OE1 GLU A 66 3.569 30.928 -12.322 1.00 0.00 O ATOM 1031 OE2 GLU A 66 5.233 30.396 -10.943 1.00 0.00 O ATOM 0 H GLU A 66 3.992 28.073 -15.198 1.00 0.00 H new ATOM 0 HA GLU A 66 5.108 26.331 -13.288 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.831 28.346 -13.090 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.652 27.627 -11.719 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.827 28.596 -12.529 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.984 29.341 -13.873 1.00 0.00 H new ATOM 1038 N GLU A 67 1.939 25.720 -14.020 1.00 0.00 N ATOM 1039 CA GLU A 67 0.879 24.725 -13.935 1.00 0.00 C ATOM 1040 C GLU A 67 1.349 23.412 -14.573 1.00 0.00 C ATOM 1041 O GLU A 67 1.188 22.342 -13.988 1.00 0.00 O ATOM 1042 CB GLU A 67 -0.392 25.260 -14.611 1.00 0.00 C ATOM 1043 CG GLU A 67 -0.928 26.537 -13.945 1.00 0.00 C ATOM 1044 CD GLU A 67 -2.123 27.112 -14.704 1.00 0.00 C ATOM 1045 OE1 GLU A 67 -1.971 27.296 -15.933 1.00 0.00 O ATOM 1046 OE2 GLU A 67 -3.153 27.372 -14.048 1.00 0.00 O ATOM 0 H GLU A 67 1.693 26.535 -14.581 1.00 0.00 H new ATOM 0 HA GLU A 67 0.643 24.525 -12.890 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.181 25.464 -15.661 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.164 24.491 -14.585 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.221 26.317 -12.919 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.135 27.283 -13.897 1.00 0.00 H new ATOM 1053 N PHE A 68 1.962 23.504 -15.758 1.00 0.00 N ATOM 1054 CA PHE A 68 2.526 22.362 -16.468 1.00 0.00 C ATOM 1055 C PHE A 68 3.545 21.634 -15.593 1.00 0.00 C ATOM 1056 O PHE A 68 3.475 20.420 -15.427 1.00 0.00 O ATOM 1057 CB PHE A 68 3.177 22.821 -17.779 1.00 0.00 C ATOM 1058 CG PHE A 68 3.772 21.692 -18.598 1.00 0.00 C ATOM 1059 CD1 PHE A 68 2.927 20.842 -19.335 1.00 0.00 C ATOM 1060 CD2 PHE A 68 5.168 21.522 -18.665 1.00 0.00 C ATOM 1061 CE1 PHE A 68 3.476 19.829 -20.140 1.00 0.00 C ATOM 1062 CE2 PHE A 68 5.716 20.543 -19.512 1.00 0.00 C ATOM 1063 CZ PHE A 68 4.870 19.680 -20.227 1.00 0.00 C ATOM 0 H PHE A 68 2.079 24.388 -16.254 1.00 0.00 H new ATOM 0 HA PHE A 68 1.719 21.668 -16.703 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.431 23.340 -18.381 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.961 23.543 -17.551 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.856 20.968 -19.282 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.817 22.143 -18.066 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.826 19.165 -20.691 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.788 20.455 -19.613 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.292 18.901 -20.845 1.00 0.00 H new ATOM 1073 N LEU A 69 4.495 22.378 -15.028 1.00 0.00 N ATOM 1074 CA LEU A 69 5.524 21.844 -14.155 1.00 0.00 C ATOM 1075 C LEU A 69 4.875 21.143 -12.962 1.00 0.00 C ATOM 1076 O LEU A 69 5.255 20.021 -12.633 1.00 0.00 O ATOM 1077 CB LEU A 69 6.469 22.978 -13.731 1.00 0.00 C ATOM 1078 CG LEU A 69 7.586 22.539 -12.769 1.00 0.00 C ATOM 1079 CD1 LEU A 69 8.478 21.449 -13.376 1.00 0.00 C ATOM 1080 CD2 LEU A 69 8.445 23.759 -12.421 1.00 0.00 C ATOM 0 H LEU A 69 4.567 23.385 -15.170 1.00 0.00 H new ATOM 0 HA LEU A 69 6.121 21.098 -14.679 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.922 23.411 -14.623 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.884 23.765 -13.256 1.00 0.00 H new ATOM 0 HG LEU A 69 7.119 22.122 -11.877 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.252 21.172 -12.660 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.873 20.574 -13.614 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.944 21.826 -14.286 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.241 23.461 -11.739 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.882 24.168 -13.332 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.824 24.517 -11.944 1.00 0.00 H new ATOM 1092 N THR A 70 3.890 21.781 -12.324 1.00 0.00 N ATOM 1093 CA THR A 70 3.166 21.176 -11.211 1.00 0.00 C ATOM 1094 C THR A 70 2.547 19.838 -11.641 1.00 0.00 C ATOM 1095 O THR A 70 2.788 18.808 -11.008 1.00 0.00 O ATOM 1096 CB THR A 70 2.115 22.156 -10.665 1.00 0.00 C ATOM 1097 OG1 THR A 70 2.732 23.384 -10.335 1.00 0.00 O ATOM 1098 CG2 THR A 70 1.451 21.612 -9.396 1.00 0.00 C ATOM 0 H THR A 70 3.577 22.722 -12.564 1.00 0.00 H new ATOM 0 HA THR A 70 3.862 20.963 -10.400 1.00 0.00 H new ATOM 0 HB THR A 70 1.361 22.292 -11.441 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.933 23.880 -11.156 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.713 22.329 -9.036 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.958 20.666 -9.620 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.208 21.454 -8.628 1.00 0.00 H new ATOM 1106 N MET A 71 1.771 19.853 -12.730 1.00 0.00 N ATOM 1107 CA MET A 71 1.145 18.669 -13.303 1.00 0.00 C ATOM 1108 C MET A 71 2.190 17.572 -13.511 1.00 0.00 C ATOM 1109 O MET A 71 2.032 16.454 -13.024 1.00 0.00 O ATOM 1110 CB MET A 71 0.440 19.075 -14.609 1.00 0.00 C ATOM 1111 CG MET A 71 -0.320 17.943 -15.316 1.00 0.00 C ATOM 1112 SD MET A 71 0.643 16.664 -16.173 1.00 0.00 S ATOM 1113 CE MET A 71 1.522 17.644 -17.414 1.00 0.00 C ATOM 0 H MET A 71 1.560 20.708 -13.244 1.00 0.00 H new ATOM 0 HA MET A 71 0.396 18.258 -12.626 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.260 19.881 -14.391 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.184 19.477 -15.296 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.944 17.447 -14.573 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.991 18.398 -16.044 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.967 16.979 -18.154 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.822 18.319 -17.907 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.307 18.225 -16.930 1.00 0.00 H new ATOM 1123 N MET A 72 3.270 17.901 -14.219 1.00 0.00 N ATOM 1124 CA MET A 72 4.308 16.951 -14.563 1.00 0.00 C ATOM 1125 C MET A 72 4.956 16.387 -13.297 1.00 0.00 C ATOM 1126 O MET A 72 5.162 15.182 -13.196 1.00 0.00 O ATOM 1127 CB MET A 72 5.322 17.619 -15.500 1.00 0.00 C ATOM 1128 CG MET A 72 6.206 16.585 -16.205 1.00 0.00 C ATOM 1129 SD MET A 72 5.344 15.496 -17.370 1.00 0.00 S ATOM 1130 CE MET A 72 6.728 14.482 -17.932 1.00 0.00 C ATOM 0 H MET A 72 3.443 18.843 -14.569 1.00 0.00 H new ATOM 0 HA MET A 72 3.876 16.103 -15.095 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.793 18.214 -16.244 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.948 18.305 -14.930 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.996 17.111 -16.741 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.691 15.969 -15.448 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.373 13.752 -18.660 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.481 15.119 -18.395 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.167 13.961 -17.081 1.00 0.00 H new ATOM 1140 N THR A 73 5.258 17.243 -12.317 1.00 0.00 N ATOM 1141 CA THR A 73 5.793 16.804 -11.034 1.00 0.00 C ATOM 1142 C THR A 73 4.840 15.796 -10.389 1.00 0.00 C ATOM 1143 O THR A 73 5.264 14.717 -9.988 1.00 0.00 O ATOM 1144 CB THR A 73 6.058 18.008 -10.113 1.00 0.00 C ATOM 1145 OG1 THR A 73 6.923 18.924 -10.750 1.00 0.00 O ATOM 1146 CG2 THR A 73 6.727 17.576 -8.805 1.00 0.00 C ATOM 0 H THR A 73 5.138 18.253 -12.394 1.00 0.00 H new ATOM 0 HA THR A 73 6.749 16.307 -11.198 1.00 0.00 H new ATOM 0 HB THR A 73 5.092 18.465 -9.898 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.412 19.469 -11.384 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.900 18.451 -8.178 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.079 16.875 -8.279 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.679 17.094 -9.025 1.00 0.00 H new ATOM 1154 N ALA A 74 3.551 16.142 -10.300 1.00 0.00 N ATOM 1155 CA ALA A 74 2.541 15.274 -9.710 1.00 0.00 C ATOM 1156 C ALA A 74 2.453 13.936 -10.451 1.00 0.00 C ATOM 1157 O ALA A 74 2.334 12.886 -9.824 1.00 0.00 O ATOM 1158 CB ALA A 74 1.188 15.990 -9.691 1.00 0.00 C ATOM 0 H ALA A 74 3.185 17.032 -10.636 1.00 0.00 H new ATOM 0 HA ALA A 74 2.831 15.051 -8.683 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.436 15.336 -9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.268 16.903 -9.101 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.895 16.242 -10.710 1.00 0.00 H new ATOM 1164 N LYS A 75 2.499 13.975 -11.785 1.00 0.00 N ATOM 1165 CA LYS A 75 2.506 12.787 -12.627 1.00 0.00 C ATOM 1166 C LYS A 75 3.746 11.931 -12.340 1.00 0.00 C ATOM 1167 O LYS A 75 3.640 10.710 -12.246 1.00 0.00 O ATOM 1168 CB LYS A 75 2.424 13.220 -14.099 1.00 0.00 C ATOM 1169 CG LYS A 75 2.386 12.034 -15.075 1.00 0.00 C ATOM 1170 CD LYS A 75 2.256 12.505 -16.530 1.00 0.00 C ATOM 1171 CE LYS A 75 0.820 12.917 -16.878 1.00 0.00 C ATOM 1172 NZ LYS A 75 0.720 13.412 -18.262 1.00 0.00 N ATOM 0 H LYS A 75 2.533 14.847 -12.313 1.00 0.00 H new ATOM 0 HA LYS A 75 1.640 12.164 -12.405 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.532 13.830 -14.243 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.282 13.849 -14.335 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.294 11.441 -14.963 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.548 11.384 -14.826 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.925 13.349 -16.699 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.575 11.706 -17.199 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.154 12.064 -16.747 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.486 13.692 -16.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.142 13.984 -18.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.551 13.996 -18.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.680 12.605 -18.917 1.00 0.00 H new ATOM 1186 N MET A 76 4.915 12.568 -12.245 1.00 0.00 N ATOM 1187 CA MET A 76 6.187 11.914 -11.974 1.00 0.00 C ATOM 1188 C MET A 76 6.452 11.892 -10.462 1.00 0.00 C ATOM 1189 O MET A 76 5.602 11.325 -9.741 1.00 0.00 O ATOM 1190 CB MET A 76 7.303 12.626 -12.759 1.00 0.00 C ATOM 1191 CG MET A 76 7.043 12.660 -14.274 1.00 0.00 C ATOM 1192 SD MET A 76 6.789 11.073 -15.112 1.00 0.00 S ATOM 1193 CE MET A 76 8.365 10.255 -14.784 1.00 0.00 C ATOM 1194 OXT MET A 76 7.516 12.407 -10.050 1.00 0.00 O ATOM 0 H MET A 76 5.000 13.578 -12.358 1.00 0.00 H new ATOM 0 HA MET A 76 6.159 10.877 -12.308 1.00 0.00 H new ATOM 0 HB2 MET A 76 7.405 13.647 -12.390 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.251 12.123 -12.570 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.163 13.279 -14.451 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.886 13.161 -14.749 1.00 0.00 H new ATOM 0 HE1 MET A 76 8.397 9.302 -15.312 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.182 10.888 -15.129 1.00 0.00 H new ATOM 0 HE3 MET A 76 8.468 10.081 -13.713 1.00 0.00 H new TER 1204 MET A 76