USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 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 31 CYS SG : rot 180:sc= 1.18 USER MOD Set 1.2: A 40 HIS : no HE2:sc= -0.229 K(o=3.3,f=-1.8!) USER MOD Set 1.3: A 56 CYS SG : rot 90:sc= 0.994 USER MOD Set 1.4: A 63 TYR OH : rot 72:sc= 1.38 USER MOD Single : A 1 MET CE :methyl -147:sc= -0.199 (180deg=-0.806) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.0016 (180deg=-0.0977) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0281 X(o=-0.028,f=-0.24) USER MOD Single : A 11 SER OG : rot -43:sc= 0.987 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 55:sc= 0.463 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0328 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 172:sc= -0.881 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc=-0.00207 USER MOD Single : A 65 HIS : no HD1:sc= 0.413 K(o=0.41,f=-3.5!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0321) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 76 HIS : no HD1:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=-0.0012) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 80 HIS : no HD1:sc= -0.741 K(o=-0.74,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.763 22.324 -4.558 1.00 0.00 N ATOM 2 CA MET A 1 5.675 22.969 -5.329 1.00 0.00 C ATOM 3 C MET A 1 6.211 23.579 -6.613 1.00 0.00 C ATOM 4 O MET A 1 7.006 24.515 -6.583 1.00 0.00 O ATOM 5 CB MET A 1 5.002 24.070 -4.507 1.00 0.00 C ATOM 6 CG MET A 1 4.355 23.580 -3.227 1.00 0.00 C ATOM 7 SD MET A 1 3.535 24.901 -2.316 1.00 0.00 S ATOM 8 CE MET A 1 4.906 26.022 -2.036 1.00 0.00 C ATOM 0 H1 MET A 1 6.356 21.785 -3.767 1.00 0.00 H new ATOM 0 H2 MET A 1 7.294 21.680 -5.179 1.00 0.00 H new ATOM 0 H3 MET A 1 7.404 23.053 -4.186 1.00 0.00 H new ATOM 0 HA MET A 1 4.945 22.196 -5.569 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.745 24.828 -4.259 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.244 24.555 -5.122 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.629 22.803 -3.466 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.114 23.123 -2.592 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.773 26.528 -1.080 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.839 25.459 -2.022 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.941 26.761 -2.836 1.00 0.00 H new ATOM 20 N ARG A 2 5.776 23.033 -7.738 1.00 0.00 N ATOM 21 CA ARG A 2 6.137 23.564 -9.043 1.00 0.00 C ATOM 22 C ARG A 2 4.997 23.309 -10.024 1.00 0.00 C ATOM 23 O ARG A 2 4.722 22.164 -10.366 1.00 0.00 O ATOM 24 CB ARG A 2 7.422 22.898 -9.546 1.00 0.00 C ATOM 25 CG ARG A 2 8.132 23.669 -10.647 1.00 0.00 C ATOM 26 CD ARG A 2 8.698 24.976 -10.120 1.00 0.00 C ATOM 27 NE ARG A 2 9.496 25.678 -11.121 1.00 0.00 N ATOM 28 CZ ARG A 2 10.630 26.319 -10.842 1.00 0.00 C ATOM 29 NH1 ARG A 2 11.126 26.299 -9.609 1.00 0.00 N ATOM 30 NH2 ARG A 2 11.281 26.969 -11.793 1.00 0.00 N ATOM 0 H ARG A 2 5.167 22.215 -7.773 1.00 0.00 H new ATOM 0 HA ARG A 2 6.311 24.637 -8.961 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.106 22.772 -8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.181 21.900 -9.913 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.937 23.061 -11.061 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.436 23.872 -11.460 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.880 25.619 -9.795 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.314 24.775 -9.243 1.00 0.00 H new ATOM 0 HE ARG A 2 9.167 25.678 -12.087 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.638 25.791 -8.871 1.00 0.00 H new ATOM 0 HH12 ARG A 2 11.995 26.791 -9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.915 26.981 -12.745 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.149 27.458 -11.574 1.00 0.00 H new ATOM 44 N ARG A 3 4.326 24.365 -10.467 1.00 0.00 N ATOM 45 CA ARG A 3 3.197 24.215 -11.384 1.00 0.00 C ATOM 46 C ARG A 3 3.670 24.052 -12.825 1.00 0.00 C ATOM 47 O ARG A 3 3.110 24.645 -13.749 1.00 0.00 O ATOM 48 CB ARG A 3 2.243 25.406 -11.280 1.00 0.00 C ATOM 49 CG ARG A 3 1.519 25.499 -9.948 1.00 0.00 C ATOM 50 CD ARG A 3 0.364 26.483 -10.016 1.00 0.00 C ATOM 51 NE ARG A 3 -0.276 26.682 -8.719 1.00 0.00 N ATOM 52 CZ ARG A 3 -1.555 26.408 -8.466 1.00 0.00 C ATOM 53 NH1 ARG A 3 -2.311 25.833 -9.396 1.00 0.00 N ATOM 54 NH2 ARG A 3 -2.070 26.690 -7.275 1.00 0.00 N ATOM 0 H ARG A 3 4.540 25.329 -10.210 1.00 0.00 H new ATOM 0 HA ARG A 3 2.662 23.311 -11.093 1.00 0.00 H new ATOM 0 HB2 ARG A 3 2.806 26.325 -11.442 1.00 0.00 H new ATOM 0 HB3 ARG A 3 1.505 25.339 -12.080 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.145 24.515 -9.665 1.00 0.00 H new ATOM 0 HG3 ARG A 3 2.219 25.809 -9.172 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.728 27.440 -10.389 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.375 26.122 -10.731 1.00 0.00 H new ATOM 0 HE ARG A 3 0.292 27.054 -7.958 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -1.912 25.601 -10.306 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.290 25.624 -9.200 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.487 27.116 -6.555 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.049 26.481 -7.080 1.00 0.00 H new ATOM 68 N GLN A 4 4.700 23.242 -13.002 1.00 0.00 N ATOM 69 CA GLN A 4 5.208 22.898 -14.319 1.00 0.00 C ATOM 70 C GLN A 4 4.236 21.927 -14.983 1.00 0.00 C ATOM 71 O GLN A 4 3.637 21.105 -14.290 1.00 0.00 O ATOM 72 CB GLN A 4 6.598 22.263 -14.179 1.00 0.00 C ATOM 73 CG GLN A 4 7.262 21.899 -15.499 1.00 0.00 C ATOM 74 CD GLN A 4 8.623 21.262 -15.308 1.00 0.00 C ATOM 75 OE1 GLN A 4 9.643 21.950 -15.265 1.00 0.00 O ATOM 76 NE2 GLN A 4 8.647 19.943 -15.197 1.00 0.00 N ATOM 0 H GLN A 4 5.209 22.803 -12.234 1.00 0.00 H new ATOM 0 HA GLN A 4 5.297 23.791 -14.937 1.00 0.00 H new ATOM 0 HB2 GLN A 4 7.246 22.953 -13.639 1.00 0.00 H new ATOM 0 HB3 GLN A 4 6.513 21.363 -13.570 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.618 21.213 -16.049 1.00 0.00 H new ATOM 0 HG3 GLN A 4 7.367 22.796 -16.109 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.777 19.412 -15.238 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.535 19.458 -15.070 1.00 0.00 H new ATOM 85 N PRO A 5 4.036 22.037 -16.315 1.00 0.00 N ATOM 86 CA PRO A 5 3.157 21.142 -17.071 1.00 0.00 C ATOM 87 C PRO A 5 3.282 19.684 -16.627 1.00 0.00 C ATOM 88 O PRO A 5 4.284 19.020 -16.905 1.00 0.00 O ATOM 89 CB PRO A 5 3.629 21.302 -18.527 1.00 0.00 C ATOM 90 CG PRO A 5 4.736 22.314 -18.502 1.00 0.00 C ATOM 91 CD PRO A 5 4.628 23.046 -17.193 1.00 0.00 C ATOM 0 HA PRO A 5 2.107 21.395 -16.923 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.980 20.351 -18.929 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.812 21.636 -19.166 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.707 21.827 -18.593 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.646 23.005 -19.340 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.601 23.378 -16.832 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.999 23.933 -17.274 1.00 0.00 H new ATOM 99 N LYS A 6 2.267 19.214 -15.906 1.00 0.00 N ATOM 100 CA LYS A 6 2.257 17.860 -15.375 1.00 0.00 C ATOM 101 C LYS A 6 2.290 16.839 -16.507 1.00 0.00 C ATOM 102 O LYS A 6 1.641 17.018 -17.538 1.00 0.00 O ATOM 103 CB LYS A 6 1.038 17.646 -14.468 1.00 0.00 C ATOM 104 CG LYS A 6 -0.288 18.074 -15.083 1.00 0.00 C ATOM 105 CD LYS A 6 -1.420 17.981 -14.072 1.00 0.00 C ATOM 106 CE LYS A 6 -2.736 18.459 -14.665 1.00 0.00 C ATOM 107 NZ LYS A 6 -3.845 18.423 -13.674 1.00 0.00 N ATOM 0 H LYS A 6 1.436 19.759 -15.677 1.00 0.00 H new ATOM 0 HA LYS A 6 3.153 17.717 -14.771 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.978 16.590 -14.204 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.189 18.198 -13.541 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.208 19.097 -15.450 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.513 17.444 -15.943 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.525 16.950 -13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.176 18.580 -13.195 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.617 19.477 -15.037 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.995 17.835 -15.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.722 18.757 -14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.978 17.448 -13.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.611 19.039 -12.869 1.00 0.00 H new ATOM 121 N THR A 7 3.065 15.783 -16.302 1.00 0.00 N ATOM 122 CA THR A 7 3.315 14.787 -17.333 1.00 0.00 C ATOM 123 C THR A 7 2.022 14.130 -17.817 1.00 0.00 C ATOM 124 O THR A 7 1.416 13.314 -17.120 1.00 0.00 O ATOM 125 CB THR A 7 4.282 13.711 -16.812 1.00 0.00 C ATOM 126 OG1 THR A 7 5.449 14.341 -16.257 1.00 0.00 O ATOM 127 CG2 THR A 7 4.698 12.759 -17.926 1.00 0.00 C ATOM 0 H THR A 7 3.537 15.593 -15.418 1.00 0.00 H new ATOM 0 HA THR A 7 3.766 15.303 -18.181 1.00 0.00 H new ATOM 0 HB THR A 7 3.769 13.134 -16.043 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.064 13.655 -15.924 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.382 12.009 -17.528 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.815 12.266 -18.332 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.196 13.320 -18.717 1.00 0.00 H new ATOM 135 N ARG A 8 1.606 14.503 -19.019 1.00 0.00 N ATOM 136 CA ARG A 8 0.420 13.934 -19.634 1.00 0.00 C ATOM 137 C ARG A 8 0.835 12.845 -20.610 1.00 0.00 C ATOM 138 O ARG A 8 0.926 13.068 -21.818 1.00 0.00 O ATOM 139 CB ARG A 8 -0.388 15.028 -20.336 1.00 0.00 C ATOM 140 CG ARG A 8 -0.914 16.080 -19.372 1.00 0.00 C ATOM 141 CD ARG A 8 -1.433 17.318 -20.090 1.00 0.00 C ATOM 142 NE ARG A 8 -2.602 17.046 -20.927 1.00 0.00 N ATOM 143 CZ ARG A 8 -3.863 17.116 -20.495 1.00 0.00 C ATOM 144 NH1 ARG A 8 -4.123 17.320 -19.209 1.00 0.00 N ATOM 145 NH2 ARG A 8 -4.865 16.960 -21.349 1.00 0.00 N ATOM 0 H ARG A 8 2.079 15.204 -19.590 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.216 13.492 -18.867 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.237 15.510 -21.087 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.226 14.573 -20.863 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.715 15.650 -18.771 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.119 16.369 -18.684 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.690 18.078 -19.352 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.638 17.732 -20.710 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.443 16.787 -21.901 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.357 17.424 -18.544 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.089 17.372 -18.886 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.672 16.787 -22.335 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.829 17.013 -21.020 1.00 0.00 H new ATOM 159 N GLN A 9 1.137 11.679 -20.061 1.00 0.00 N ATOM 160 CA GLN A 9 1.653 10.567 -20.847 1.00 0.00 C ATOM 161 C GLN A 9 0.570 9.509 -21.035 1.00 0.00 C ATOM 162 O GLN A 9 0.858 8.343 -21.294 1.00 0.00 O ATOM 163 CB GLN A 9 2.873 9.957 -20.145 1.00 0.00 C ATOM 164 CG GLN A 9 4.063 9.710 -21.062 1.00 0.00 C ATOM 165 CD GLN A 9 3.714 8.867 -22.270 1.00 0.00 C ATOM 166 OE1 GLN A 9 3.358 9.391 -23.327 1.00 0.00 O ATOM 167 NE2 GLN A 9 3.810 7.555 -22.123 1.00 0.00 N ATOM 0 H GLN A 9 1.033 11.477 -19.067 1.00 0.00 H new ATOM 0 HA GLN A 9 1.955 10.934 -21.828 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.183 10.620 -19.337 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.580 9.012 -19.687 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.461 10.668 -21.397 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.854 9.216 -20.497 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.109 7.162 -21.230 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.585 6.937 -22.902 1.00 0.00 H new ATOM 176 N GLU A 10 -0.679 9.922 -20.894 1.00 0.00 N ATOM 177 CA GLU A 10 -1.799 9.018 -21.080 1.00 0.00 C ATOM 178 C GLU A 10 -2.262 9.059 -22.533 1.00 0.00 C ATOM 179 O GLU A 10 -2.954 9.986 -22.956 1.00 0.00 O ATOM 180 CB GLU A 10 -2.939 9.382 -20.127 1.00 0.00 C ATOM 181 CG GLU A 10 -4.097 8.401 -20.162 1.00 0.00 C ATOM 182 CD GLU A 10 -5.070 8.608 -19.019 1.00 0.00 C ATOM 183 OE1 GLU A 10 -5.992 9.440 -19.155 1.00 0.00 O ATOM 184 OE2 GLU A 10 -4.923 7.935 -17.979 1.00 0.00 O ATOM 0 H GLU A 10 -0.941 10.877 -20.651 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.482 8.001 -20.849 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.549 9.435 -19.111 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.308 10.376 -20.379 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.627 8.504 -21.109 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.708 7.384 -20.123 1.00 0.00 H new ATOM 191 N SER A 11 -1.854 8.053 -23.294 1.00 0.00 N ATOM 192 CA SER A 11 -2.124 8.012 -24.723 1.00 0.00 C ATOM 193 C SER A 11 -3.259 7.041 -25.042 1.00 0.00 C ATOM 194 O SER A 11 -3.521 6.721 -26.203 1.00 0.00 O ATOM 195 CB SER A 11 -0.849 7.622 -25.484 1.00 0.00 C ATOM 196 OG SER A 11 -1.097 7.487 -26.873 1.00 0.00 O ATOM 0 H SER A 11 -1.332 7.250 -22.942 1.00 0.00 H new ATOM 0 HA SER A 11 -2.439 9.005 -25.043 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.081 8.378 -25.322 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.461 6.683 -25.089 1.00 0.00 H new ATOM 0 HG SER A 11 -1.938 7.003 -27.010 1.00 0.00 H new ATOM 202 N ALA A 12 -3.940 6.594 -24.010 1.00 0.00 N ATOM 203 CA ALA A 12 -5.033 5.651 -24.173 1.00 0.00 C ATOM 204 C ALA A 12 -6.120 5.902 -23.144 1.00 0.00 C ATOM 205 O ALA A 12 -5.830 6.108 -21.966 1.00 0.00 O ATOM 206 CB ALA A 12 -4.522 4.222 -24.062 1.00 0.00 C ATOM 0 H ALA A 12 -3.758 6.867 -23.044 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.461 5.794 -25.165 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.353 3.528 -24.186 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.778 4.040 -24.838 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.068 4.073 -23.082 1.00 0.00 H new ATOM 212 N ARG A 13 -7.367 5.897 -23.593 1.00 0.00 N ATOM 213 CA ARG A 13 -8.496 6.038 -22.691 1.00 0.00 C ATOM 214 C ARG A 13 -9.436 4.851 -22.844 1.00 0.00 C ATOM 215 O ARG A 13 -10.111 4.697 -23.861 1.00 0.00 O ATOM 216 CB ARG A 13 -9.234 7.366 -22.918 1.00 0.00 C ATOM 217 CG ARG A 13 -9.683 7.629 -24.349 1.00 0.00 C ATOM 218 CD ARG A 13 -10.480 8.924 -24.429 1.00 0.00 C ATOM 219 NE ARG A 13 -10.859 9.280 -25.796 1.00 0.00 N ATOM 220 CZ ARG A 13 -11.429 10.442 -26.126 1.00 0.00 C ATOM 221 NH1 ARG A 13 -11.737 11.326 -25.181 1.00 0.00 N ATOM 222 NH2 ARG A 13 -11.709 10.707 -27.396 1.00 0.00 N ATOM 0 H ARG A 13 -7.620 5.797 -24.576 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.119 6.053 -21.668 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.110 7.390 -22.270 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.583 8.182 -22.604 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.814 7.689 -25.004 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.292 6.798 -24.704 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.380 8.828 -23.822 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.891 9.734 -23.999 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.678 8.604 -26.538 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.538 11.117 -24.203 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.172 12.213 -25.435 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.489 10.023 -28.120 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.144 11.594 -27.648 1.00 0.00 H new ATOM 236 N MET A 14 -9.446 3.989 -21.841 1.00 0.00 N ATOM 237 CA MET A 14 -10.265 2.790 -21.886 1.00 0.00 C ATOM 238 C MET A 14 -11.396 2.879 -20.874 1.00 0.00 C ATOM 239 O MET A 14 -11.182 2.725 -19.670 1.00 0.00 O ATOM 240 CB MET A 14 -9.416 1.541 -21.618 1.00 0.00 C ATOM 241 CG MET A 14 -8.319 1.312 -22.645 1.00 0.00 C ATOM 242 SD MET A 14 -7.332 -0.156 -22.288 1.00 0.00 S ATOM 243 CE MET A 14 -6.201 -0.139 -23.675 1.00 0.00 C ATOM 0 H MET A 14 -8.898 4.097 -20.988 1.00 0.00 H new ATOM 0 HA MET A 14 -10.693 2.710 -22.885 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.964 1.626 -20.630 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.068 0.668 -21.596 1.00 0.00 H new ATOM 0 HG2 MET A 14 -8.767 1.213 -23.634 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.667 2.185 -22.676 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.521 -0.988 -23.601 1.00 0.00 H new ATOM 0 HE2 MET A 14 -6.765 -0.206 -24.605 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.627 0.788 -23.665 1.00 0.00 H new ATOM 253 N SER A 15 -12.592 3.158 -21.364 1.00 0.00 N ATOM 254 CA SER A 15 -13.761 3.229 -20.511 1.00 0.00 C ATOM 255 C SER A 15 -14.320 1.834 -20.260 1.00 0.00 C ATOM 256 O SER A 15 -15.258 1.388 -20.924 1.00 0.00 O ATOM 257 CB SER A 15 -14.816 4.141 -21.140 1.00 0.00 C ATOM 258 OG SER A 15 -14.261 5.413 -21.440 1.00 0.00 O ATOM 0 H SER A 15 -12.777 3.339 -22.351 1.00 0.00 H new ATOM 0 HA SER A 15 -13.473 3.653 -19.549 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.204 3.684 -22.050 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.658 4.257 -20.457 1.00 0.00 H new ATOM 0 HG SER A 15 -14.949 5.983 -21.843 1.00 0.00 H new ATOM 264 N ILE A 16 -13.704 1.135 -19.320 1.00 0.00 N ATOM 265 CA ILE A 16 -14.133 -0.204 -18.958 1.00 0.00 C ATOM 266 C ILE A 16 -15.168 -0.122 -17.848 1.00 0.00 C ATOM 267 O ILE A 16 -15.346 0.935 -17.235 1.00 0.00 O ATOM 268 CB ILE A 16 -12.940 -1.076 -18.496 1.00 0.00 C ATOM 269 CG1 ILE A 16 -11.686 -0.732 -19.306 1.00 0.00 C ATOM 270 CG2 ILE A 16 -13.263 -2.556 -18.646 1.00 0.00 C ATOM 271 CD1 ILE A 16 -10.440 -1.471 -18.861 1.00 0.00 C ATOM 0 H ILE A 16 -12.901 1.476 -18.792 1.00 0.00 H new ATOM 0 HA ILE A 16 -14.569 -0.672 -19.841 1.00 0.00 H new ATOM 0 HB ILE A 16 -12.753 -0.866 -17.443 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.872 -0.956 -20.356 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.504 0.340 -19.236 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.411 -3.150 -18.316 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.134 -2.802 -18.038 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.476 -2.778 -19.692 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.597 -1.172 -19.484 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.226 -1.229 -17.820 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.600 -2.545 -18.958 1.00 0.00 H new ATOM 283 N GLU A 17 -15.846 -1.225 -17.593 1.00 0.00 N ATOM 284 CA GLU A 17 -16.896 -1.256 -16.593 1.00 0.00 C ATOM 285 C GLU A 17 -16.298 -1.225 -15.187 1.00 0.00 C ATOM 286 O GLU A 17 -16.040 -2.274 -14.593 1.00 0.00 O ATOM 287 CB GLU A 17 -17.777 -2.499 -16.769 1.00 0.00 C ATOM 288 CG GLU A 17 -19.267 -2.199 -16.722 1.00 0.00 C ATOM 289 CD GLU A 17 -19.697 -1.228 -17.806 1.00 0.00 C ATOM 290 OE1 GLU A 17 -19.499 -1.538 -19.001 1.00 0.00 O ATOM 291 OE2 GLU A 17 -20.235 -0.153 -17.472 1.00 0.00 O ATOM 0 H GLU A 17 -15.687 -2.114 -18.067 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.518 -0.371 -16.726 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.539 -2.971 -17.723 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.535 -3.220 -15.988 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.825 -3.129 -16.829 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.521 -1.785 -15.746 1.00 0.00 H new ATOM 298 N ALA A 18 -16.052 -0.010 -14.688 1.00 0.00 N ATOM 299 CA ALA A 18 -15.484 0.214 -13.356 1.00 0.00 C ATOM 300 C ALA A 18 -14.047 -0.304 -13.273 1.00 0.00 C ATOM 301 O ALA A 18 -13.807 -1.469 -12.954 1.00 0.00 O ATOM 302 CB ALA A 18 -16.357 -0.402 -12.264 1.00 0.00 C ATOM 0 H ALA A 18 -16.243 0.851 -15.200 1.00 0.00 H new ATOM 0 HA ALA A 18 -15.460 1.291 -13.188 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -15.905 -0.217 -11.289 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.350 0.047 -12.295 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.440 -1.477 -12.427 1.00 0.00 H new ATOM 308 N PRO A 19 -13.068 0.559 -13.581 1.00 0.00 N ATOM 309 CA PRO A 19 -11.651 0.201 -13.518 1.00 0.00 C ATOM 310 C PRO A 19 -11.139 0.114 -12.080 1.00 0.00 C ATOM 311 O PRO A 19 -11.875 0.391 -11.127 1.00 0.00 O ATOM 312 CB PRO A 19 -10.964 1.346 -14.265 1.00 0.00 C ATOM 313 CG PRO A 19 -11.871 2.513 -14.091 1.00 0.00 C ATOM 314 CD PRO A 19 -13.269 1.953 -14.021 1.00 0.00 C ATOM 0 HA PRO A 19 -11.457 -0.782 -13.948 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.975 1.549 -13.854 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.828 1.105 -15.319 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.627 3.064 -13.183 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -11.772 3.210 -14.923 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.888 2.509 -13.317 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.767 1.999 -14.989 1.00 0.00 H new ATOM 322 N GLU A 20 -9.876 -0.272 -11.930 1.00 0.00 N ATOM 323 CA GLU A 20 -9.260 -0.389 -10.615 1.00 0.00 C ATOM 324 C GLU A 20 -9.256 0.956 -9.901 1.00 0.00 C ATOM 325 O GLU A 20 -8.456 1.836 -10.214 1.00 0.00 O ATOM 326 CB GLU A 20 -7.828 -0.908 -10.732 1.00 0.00 C ATOM 327 CG GLU A 20 -7.732 -2.314 -11.300 1.00 0.00 C ATOM 328 CD GLU A 20 -8.549 -3.317 -10.510 1.00 0.00 C ATOM 329 OE1 GLU A 20 -8.599 -3.207 -9.268 1.00 0.00 O ATOM 330 OE2 GLU A 20 -9.139 -4.225 -11.128 1.00 0.00 O ATOM 0 H GLU A 20 -9.258 -0.510 -12.706 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.849 -1.099 -10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.256 -0.230 -11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.363 -0.891 -9.746 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.073 -2.308 -12.335 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.688 -2.628 -11.310 1.00 0.00 H new ATOM 337 N THR A 21 -10.171 1.117 -8.962 1.00 0.00 N ATOM 338 CA THR A 21 -10.276 2.351 -8.209 1.00 0.00 C ATOM 339 C THR A 21 -10.064 2.090 -6.723 1.00 0.00 C ATOM 340 O THR A 21 -10.917 1.497 -6.056 1.00 0.00 O ATOM 341 CB THR A 21 -11.655 3.002 -8.393 1.00 0.00 C ATOM 342 OG1 THR A 21 -12.102 2.844 -9.748 1.00 0.00 O ATOM 343 CG2 THR A 21 -11.611 4.482 -8.039 1.00 0.00 C ATOM 0 H THR A 21 -10.854 0.405 -8.703 1.00 0.00 H new ATOM 0 HA THR A 21 -9.506 3.023 -8.586 1.00 0.00 H new ATOM 0 HB THR A 21 -12.354 2.504 -7.721 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.083 1.895 -9.990 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.600 4.919 -8.178 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.306 4.598 -6.999 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.896 4.990 -8.686 1.00 0.00 H new ATOM 351 N VAL A 22 -8.917 2.510 -6.221 1.00 0.00 N ATOM 352 CA VAL A 22 -8.623 2.411 -4.802 1.00 0.00 C ATOM 353 C VAL A 22 -8.318 3.795 -4.249 1.00 0.00 C ATOM 354 O VAL A 22 -7.224 4.331 -4.447 1.00 0.00 O ATOM 355 CB VAL A 22 -7.437 1.462 -4.514 1.00 0.00 C ATOM 356 CG1 VAL A 22 -7.258 1.280 -3.011 1.00 0.00 C ATOM 357 CG2 VAL A 22 -7.636 0.116 -5.202 1.00 0.00 C ATOM 0 H VAL A 22 -8.170 2.925 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.502 1.993 -4.311 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.531 1.913 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.419 0.609 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.060 2.247 -2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.166 0.853 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.788 -0.533 -4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.552 -0.348 -4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.711 0.265 -6.279 1.00 0.00 H new ATOM 367 N VAL A 23 -9.304 4.383 -3.596 1.00 0.00 N ATOM 368 CA VAL A 23 -9.171 5.723 -3.056 1.00 0.00 C ATOM 369 C VAL A 23 -8.710 5.663 -1.605 1.00 0.00 C ATOM 370 O VAL A 23 -9.306 4.964 -0.781 1.00 0.00 O ATOM 371 CB VAL A 23 -10.507 6.490 -3.144 1.00 0.00 C ATOM 372 CG1 VAL A 23 -10.355 7.917 -2.650 1.00 0.00 C ATOM 373 CG2 VAL A 23 -11.046 6.472 -4.567 1.00 0.00 C ATOM 0 H VAL A 23 -10.212 3.950 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.427 6.253 -3.651 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.224 5.985 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.313 8.432 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.027 7.909 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.616 8.436 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.988 7.018 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.325 6.943 -5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -11.211 5.441 -4.881 1.00 0.00 H new ATOM 383 N VAL A 24 -7.643 6.387 -1.300 1.00 0.00 N ATOM 384 CA VAL A 24 -7.081 6.393 0.042 1.00 0.00 C ATOM 385 C VAL A 24 -6.703 7.805 0.475 1.00 0.00 C ATOM 386 O VAL A 24 -6.441 8.675 -0.356 1.00 0.00 O ATOM 387 CB VAL A 24 -5.833 5.489 0.143 1.00 0.00 C ATOM 388 CG1 VAL A 24 -6.213 4.022 0.007 1.00 0.00 C ATOM 389 CG2 VAL A 24 -4.796 5.871 -0.905 1.00 0.00 C ATOM 0 H VAL A 24 -7.148 6.980 -1.966 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.855 6.004 0.704 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.392 5.639 1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.317 3.406 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.907 3.751 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.687 3.857 -0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.927 5.219 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.227 5.761 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.490 6.906 -0.754 1.00 0.00 H new ATOM 399 N SER A 25 -6.705 8.029 1.781 1.00 0.00 N ATOM 400 CA SER A 25 -6.244 9.280 2.351 1.00 0.00 C ATOM 401 C SER A 25 -4.848 9.095 2.937 1.00 0.00 C ATOM 402 O SER A 25 -4.306 9.980 3.602 1.00 0.00 O ATOM 403 CB SER A 25 -7.221 9.731 3.435 1.00 0.00 C ATOM 404 OG SER A 25 -8.554 9.758 2.943 1.00 0.00 O ATOM 0 H SER A 25 -7.026 7.349 2.471 1.00 0.00 H new ATOM 0 HA SER A 25 -6.197 10.043 1.574 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.159 9.056 4.289 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.941 10.722 3.791 1.00 0.00 H new ATOM 0 HG SER A 25 -9.160 10.048 3.656 1.00 0.00 H new ATOM 410 N THR A 26 -4.275 7.929 2.677 1.00 0.00 N ATOM 411 CA THR A 26 -2.969 7.574 3.204 1.00 0.00 C ATOM 412 C THR A 26 -1.910 7.640 2.104 1.00 0.00 C ATOM 413 O THR A 26 -2.133 7.157 0.995 1.00 0.00 O ATOM 414 CB THR A 26 -2.999 6.156 3.807 1.00 0.00 C ATOM 415 OG1 THR A 26 -4.085 6.052 4.738 1.00 0.00 O ATOM 416 CG2 THR A 26 -1.692 5.833 4.515 1.00 0.00 C ATOM 0 H THR A 26 -4.701 7.206 2.097 1.00 0.00 H new ATOM 0 HA THR A 26 -2.714 8.289 3.986 1.00 0.00 H new ATOM 0 HB THR A 26 -3.135 5.442 2.994 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.104 5.149 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.742 4.827 4.930 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.869 5.891 3.803 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.527 6.550 5.320 1.00 0.00 H new ATOM 424 N TRP A 27 -0.765 8.236 2.409 1.00 0.00 N ATOM 425 CA TRP A 27 0.296 8.376 1.427 1.00 0.00 C ATOM 426 C TRP A 27 1.221 7.158 1.446 1.00 0.00 C ATOM 427 O TRP A 27 1.423 6.512 0.418 1.00 0.00 O ATOM 428 CB TRP A 27 1.076 9.659 1.691 1.00 0.00 C ATOM 429 CG TRP A 27 0.228 10.891 1.594 1.00 0.00 C ATOM 430 CD1 TRP A 27 -0.340 11.576 2.629 1.00 0.00 C ATOM 431 CD2 TRP A 27 -0.151 11.582 0.397 1.00 0.00 C ATOM 432 NE1 TRP A 27 -1.050 12.649 2.147 1.00 0.00 N ATOM 433 CE2 TRP A 27 -0.948 12.675 0.782 1.00 0.00 C ATOM 434 CE3 TRP A 27 0.109 11.384 -0.964 1.00 0.00 C ATOM 435 CZ2 TRP A 27 -1.489 13.564 -0.142 1.00 0.00 C ATOM 436 CZ3 TRP A 27 -0.429 12.268 -1.881 1.00 0.00 C ATOM 437 CH2 TRP A 27 -1.219 13.347 -1.466 1.00 0.00 C ATOM 0 H TRP A 27 -0.550 8.628 3.326 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.149 8.435 0.434 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.522 9.609 2.684 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.896 9.732 0.977 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -0.245 11.313 3.672 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.569 13.318 2.715 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.719 10.555 -1.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.100 14.396 0.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.237 12.124 -2.934 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -1.624 14.022 -2.206 1.00 0.00 H new ATOM 448 N LYS A 28 1.791 6.846 2.608 1.00 0.00 N ATOM 449 CA LYS A 28 2.596 5.636 2.751 1.00 0.00 C ATOM 450 C LYS A 28 1.686 4.437 2.983 1.00 0.00 C ATOM 451 O LYS A 28 1.039 4.330 4.024 1.00 0.00 O ATOM 452 CB LYS A 28 3.602 5.759 3.897 1.00 0.00 C ATOM 453 CG LYS A 28 4.720 6.749 3.622 1.00 0.00 C ATOM 454 CD LYS A 28 5.812 6.647 4.671 1.00 0.00 C ATOM 455 CE LYS A 28 6.957 7.604 4.386 1.00 0.00 C ATOM 456 NZ LYS A 28 8.093 7.400 5.319 1.00 0.00 N ATOM 0 H LYS A 28 1.712 7.408 3.456 1.00 0.00 H new ATOM 0 HA LYS A 28 3.160 5.496 1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.074 6.062 4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.036 4.779 4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.142 6.561 2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.318 7.762 3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.393 6.863 5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.191 5.626 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.300 7.465 3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.601 8.631 4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.854 8.072 5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.773 7.557 6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.450 6.428 5.224 1.00 0.00 H new ATOM 470 N VAL A 29 1.639 3.539 2.009 1.00 0.00 N ATOM 471 CA VAL A 29 0.708 2.436 2.037 1.00 0.00 C ATOM 472 C VAL A 29 1.433 1.099 1.967 1.00 0.00 C ATOM 473 O VAL A 29 2.395 0.935 1.215 1.00 0.00 O ATOM 474 CB VAL A 29 -0.306 2.531 0.876 1.00 0.00 C ATOM 475 CG1 VAL A 29 -1.273 3.684 1.098 1.00 0.00 C ATOM 476 CG2 VAL A 29 0.410 2.685 -0.462 1.00 0.00 C ATOM 0 H VAL A 29 2.242 3.560 1.187 1.00 0.00 H new ATOM 0 HA VAL A 29 0.170 2.497 2.983 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.877 1.603 0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.978 3.732 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.818 3.528 2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.717 4.619 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.326 2.750 -1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.013 3.593 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.055 1.823 -0.631 1.00 0.00 H new ATOM 486 N ALA A 30 0.975 0.151 2.770 1.00 0.00 N ATOM 487 CA ALA A 30 1.510 -1.197 2.737 1.00 0.00 C ATOM 488 C ALA A 30 0.707 -2.050 1.764 1.00 0.00 C ATOM 489 O ALA A 30 -0.398 -2.496 2.083 1.00 0.00 O ATOM 490 CB ALA A 30 1.493 -1.807 4.129 1.00 0.00 C ATOM 0 H ALA A 30 0.232 0.293 3.454 1.00 0.00 H new ATOM 0 HA ALA A 30 2.544 -1.160 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.897 -2.818 4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.101 -1.200 4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.468 -1.841 4.499 1.00 0.00 H new ATOM 496 N CYS A 31 1.247 -2.251 0.573 1.00 0.00 N ATOM 497 CA CYS A 31 0.557 -3.015 -0.451 1.00 0.00 C ATOM 498 C CYS A 31 0.823 -4.499 -0.251 1.00 0.00 C ATOM 499 O CYS A 31 1.923 -4.896 0.130 1.00 0.00 O ATOM 500 CB CYS A 31 0.998 -2.567 -1.846 1.00 0.00 C ATOM 501 SG CYS A 31 0.120 -3.374 -3.209 1.00 0.00 S ATOM 0 H CYS A 31 2.161 -1.895 0.292 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.515 -2.836 -0.365 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.858 -1.489 -1.928 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.065 -2.759 -1.954 1.00 0.00 H new ATOM 0 HG CYS A 31 0.568 -2.922 -4.342 1.00 0.00 H new ATOM 507 N ASP A 32 -0.191 -5.301 -0.507 1.00 0.00 N ATOM 508 CA ASP A 32 -0.133 -6.733 -0.239 1.00 0.00 C ATOM 509 C ASP A 32 -0.786 -7.487 -1.393 1.00 0.00 C ATOM 510 O ASP A 32 -1.248 -8.617 -1.248 1.00 0.00 O ATOM 511 CB ASP A 32 -0.850 -7.014 1.087 1.00 0.00 C ATOM 512 CG ASP A 32 -0.582 -8.398 1.657 1.00 0.00 C ATOM 513 OD1 ASP A 32 0.586 -8.704 1.969 1.00 0.00 O ATOM 514 OD2 ASP A 32 -1.554 -9.167 1.837 1.00 0.00 O ATOM 0 H ASP A 32 -1.076 -4.986 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 32 0.900 -7.069 -0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.544 -6.266 1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.923 -6.895 0.939 1.00 0.00 H new ATOM 519 N GLY A 33 -0.802 -6.839 -2.554 1.00 0.00 N ATOM 520 CA GLY A 33 -1.448 -7.408 -3.716 1.00 0.00 C ATOM 521 C GLY A 33 -2.934 -7.114 -3.733 1.00 0.00 C ATOM 522 O GLY A 33 -3.357 -5.989 -3.460 1.00 0.00 O ATOM 0 H GLY A 33 -0.376 -5.925 -2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.988 -7.009 -4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.291 -8.486 -3.728 1.00 0.00 H new ATOM 526 N GLY A 34 -3.723 -8.124 -4.061 1.00 0.00 N ATOM 527 CA GLY A 34 -5.166 -7.998 -4.007 1.00 0.00 C ATOM 528 C GLY A 34 -5.688 -8.311 -2.634 1.00 0.00 C ATOM 529 O GLY A 34 -5.821 -7.433 -1.778 1.00 0.00 O ATOM 0 H GLY A 34 -3.387 -9.037 -4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.456 -6.985 -4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.620 -8.672 -4.734 1.00 0.00 H new ATOM 533 N GLU A 35 -6.001 -9.565 -2.443 1.00 0.00 N ATOM 534 CA GLU A 35 -6.313 -10.094 -1.124 1.00 0.00 C ATOM 535 C GLU A 35 -5.022 -10.359 -0.361 1.00 0.00 C ATOM 536 O GLU A 35 -3.934 -10.091 -0.866 1.00 0.00 O ATOM 537 CB GLU A 35 -7.127 -11.383 -1.226 1.00 0.00 C ATOM 538 CG GLU A 35 -8.605 -11.168 -1.525 1.00 0.00 C ATOM 539 CD GLU A 35 -8.861 -10.531 -2.874 1.00 0.00 C ATOM 540 OE1 GLU A 35 -8.728 -11.230 -3.901 1.00 0.00 O ATOM 541 OE2 GLU A 35 -9.219 -9.334 -2.914 1.00 0.00 O ATOM 0 H GLU A 35 -6.049 -10.256 -3.192 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.911 -9.355 -0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.697 -12.009 -2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.034 -11.933 -0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.120 -12.128 -1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.037 -10.539 -0.747 1.00 0.00 H new ATOM 548 N GLY A 36 -5.150 -10.880 0.852 1.00 0.00 N ATOM 549 CA GLY A 36 -3.983 -11.154 1.674 1.00 0.00 C ATOM 550 C GLY A 36 -3.022 -12.127 1.026 1.00 0.00 C ATOM 551 O GLY A 36 -3.370 -13.289 0.792 1.00 0.00 O ATOM 0 H GLY A 36 -6.043 -11.119 1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.462 -10.219 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.307 -11.556 2.634 1.00 0.00 H new ATOM 555 N ALA A 37 -1.821 -11.632 0.740 1.00 0.00 N ATOM 556 CA ALA A 37 -0.759 -12.409 0.100 1.00 0.00 C ATOM 557 C ALA A 37 -1.139 -12.815 -1.323 1.00 0.00 C ATOM 558 O ALA A 37 -0.490 -13.669 -1.932 1.00 0.00 O ATOM 559 CB ALA A 37 -0.410 -13.636 0.936 1.00 0.00 C ATOM 0 H ALA A 37 -1.553 -10.670 0.948 1.00 0.00 H new ATOM 0 HA ALA A 37 0.123 -11.771 0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.382 -14.200 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.069 -13.320 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.292 -14.267 1.042 1.00 0.00 H new ATOM 565 N LEU A 38 -2.170 -12.182 -1.866 1.00 0.00 N ATOM 566 CA LEU A 38 -2.636 -12.513 -3.202 1.00 0.00 C ATOM 567 C LEU A 38 -2.010 -11.560 -4.214 1.00 0.00 C ATOM 568 O LEU A 38 -2.576 -10.519 -4.541 1.00 0.00 O ATOM 569 CB LEU A 38 -4.170 -12.453 -3.270 1.00 0.00 C ATOM 570 CG LEU A 38 -4.837 -13.327 -4.342 1.00 0.00 C ATOM 571 CD1 LEU A 38 -4.520 -12.831 -5.744 1.00 0.00 C ATOM 572 CD2 LEU A 38 -4.408 -14.777 -4.183 1.00 0.00 C ATOM 0 H LEU A 38 -2.696 -11.441 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.331 -13.531 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.567 -12.742 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.465 -11.418 -3.440 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.916 -13.259 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.009 -13.474 -6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.882 -11.809 -5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.442 -12.854 -5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.889 -15.385 -4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.326 -14.850 -4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.702 -15.137 -3.197 1.00 0.00 H new ATOM 584 N GLY A 39 -0.827 -11.911 -4.681 1.00 0.00 N ATOM 585 CA GLY A 39 -0.128 -11.074 -5.630 1.00 0.00 C ATOM 586 C GLY A 39 1.330 -10.966 -5.303 1.00 0.00 C ATOM 587 O GLY A 39 2.199 -11.335 -6.091 1.00 0.00 O ATOM 0 H GLY A 39 -0.334 -12.765 -4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.247 -11.483 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.574 -10.080 -5.636 1.00 0.00 H new ATOM 591 N HIS A 40 1.572 -10.466 -4.126 1.00 0.00 N ATOM 592 CA HIS A 40 2.918 -10.310 -3.595 1.00 0.00 C ATOM 593 C HIS A 40 2.861 -10.027 -2.099 1.00 0.00 C ATOM 594 O HIS A 40 1.816 -9.628 -1.587 1.00 0.00 O ATOM 595 CB HIS A 40 3.674 -9.186 -4.326 1.00 0.00 C ATOM 596 CG HIS A 40 3.034 -7.830 -4.246 1.00 0.00 C ATOM 597 ND1 HIS A 40 3.147 -6.985 -3.163 1.00 0.00 N ATOM 598 CD2 HIS A 40 2.294 -7.162 -5.163 1.00 0.00 C ATOM 599 CE1 HIS A 40 2.495 -5.855 -3.453 1.00 0.00 C ATOM 600 NE2 HIS A 40 1.958 -5.909 -4.656 1.00 0.00 N ATOM 0 H HIS A 40 0.840 -10.148 -3.491 1.00 0.00 H new ATOM 0 HA HIS A 40 3.460 -11.241 -3.759 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.681 -9.120 -3.915 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.776 -9.461 -5.376 1.00 0.00 H new ATOM 0 HD1 HIS A 40 3.641 -7.187 -2.294 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.010 -7.541 -6.134 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.418 -5.007 -2.788 1.00 0.00 H new ATOM 608 N PRO A 41 3.973 -10.251 -1.376 1.00 0.00 N ATOM 609 CA PRO A 41 4.063 -9.952 0.058 1.00 0.00 C ATOM 610 C PRO A 41 3.927 -8.457 0.346 1.00 0.00 C ATOM 611 O PRO A 41 3.944 -7.632 -0.573 1.00 0.00 O ATOM 612 CB PRO A 41 5.462 -10.443 0.453 1.00 0.00 C ATOM 613 CG PRO A 41 5.881 -11.354 -0.647 1.00 0.00 C ATOM 614 CD PRO A 41 5.226 -10.826 -1.889 1.00 0.00 C ATOM 0 HA PRO A 41 3.260 -10.431 0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.156 -9.609 0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.441 -10.965 1.410 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.966 -11.366 -0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.569 -12.379 -0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.843 -10.076 -2.384 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.041 -11.617 -2.616 1.00 0.00 H new ATOM 622 N ARG A 42 3.821 -8.119 1.623 1.00 0.00 N ATOM 623 CA ARG A 42 3.606 -6.741 2.044 1.00 0.00 C ATOM 624 C ARG A 42 4.818 -5.877 1.715 1.00 0.00 C ATOM 625 O ARG A 42 5.925 -6.139 2.189 1.00 0.00 O ATOM 626 CB ARG A 42 3.328 -6.685 3.544 1.00 0.00 C ATOM 627 CG ARG A 42 2.873 -5.320 4.035 1.00 0.00 C ATOM 628 CD ARG A 42 2.709 -5.297 5.545 1.00 0.00 C ATOM 629 NE ARG A 42 1.912 -6.424 6.024 1.00 0.00 N ATOM 630 CZ ARG A 42 0.861 -6.311 6.837 1.00 0.00 C ATOM 631 NH1 ARG A 42 0.442 -5.119 7.244 1.00 0.00 N ATOM 632 NH2 ARG A 42 0.233 -7.398 7.259 1.00 0.00 N ATOM 0 H ARG A 42 3.881 -8.786 2.392 1.00 0.00 H new ATOM 0 HA ARG A 42 2.744 -6.353 1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.564 -7.422 3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.232 -6.971 4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.599 -4.564 3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.927 -5.059 3.561 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.691 -5.320 6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.234 -4.363 5.844 1.00 0.00 H new ATOM 0 HE ARG A 42 2.177 -7.360 5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.925 -4.276 6.935 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.363 -5.046 7.866 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.553 -8.320 6.962 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.571 -7.313 7.881 1.00 0.00 H new ATOM 646 N VAL A 43 4.607 -4.863 0.890 1.00 0.00 N ATOM 647 CA VAL A 43 5.658 -3.910 0.556 1.00 0.00 C ATOM 648 C VAL A 43 5.230 -2.515 0.989 1.00 0.00 C ATOM 649 O VAL A 43 4.035 -2.216 1.048 1.00 0.00 O ATOM 650 CB VAL A 43 5.971 -3.877 -0.957 1.00 0.00 C ATOM 651 CG1 VAL A 43 7.299 -3.186 -1.233 1.00 0.00 C ATOM 652 CG2 VAL A 43 5.959 -5.275 -1.554 1.00 0.00 C ATOM 0 H VAL A 43 3.713 -4.677 0.436 1.00 0.00 H new ATOM 0 HA VAL A 43 6.559 -4.230 1.080 1.00 0.00 H new ATOM 0 HB VAL A 43 5.183 -3.298 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.490 -3.180 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.259 -2.161 -0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.101 -3.722 -0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.183 -5.218 -2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.711 -5.889 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.975 -5.722 -1.413 1.00 0.00 H new ATOM 662 N TRP A 44 6.201 -1.676 1.286 1.00 0.00 N ATOM 663 CA TRP A 44 5.946 -0.318 1.719 1.00 0.00 C ATOM 664 C TRP A 44 6.078 0.647 0.549 1.00 0.00 C ATOM 665 O TRP A 44 7.170 0.848 0.014 1.00 0.00 O ATOM 666 CB TRP A 44 6.925 0.070 2.824 1.00 0.00 C ATOM 667 CG TRP A 44 6.693 -0.655 4.116 1.00 0.00 C ATOM 668 CD1 TRP A 44 7.410 -1.707 4.615 1.00 0.00 C ATOM 669 CD2 TRP A 44 5.665 -0.383 5.072 1.00 0.00 C ATOM 670 NE1 TRP A 44 6.892 -2.100 5.824 1.00 0.00 N ATOM 671 CE2 TRP A 44 5.821 -1.302 6.126 1.00 0.00 C ATOM 672 CE3 TRP A 44 4.629 0.552 5.144 1.00 0.00 C ATOM 673 CZ2 TRP A 44 4.981 -1.316 7.233 1.00 0.00 C ATOM 674 CZ3 TRP A 44 3.796 0.537 6.246 1.00 0.00 C ATOM 675 CH2 TRP A 44 3.977 -0.390 7.276 1.00 0.00 C ATOM 0 H TRP A 44 7.191 -1.917 1.234 1.00 0.00 H new ATOM 0 HA TRP A 44 4.928 -0.262 2.106 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.941 -0.129 2.483 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.852 1.143 3.001 1.00 0.00 H new ATOM 0 HD1 TRP A 44 8.260 -2.162 4.129 1.00 0.00 H new ATOM 0 HE1 TRP A 44 7.247 -2.862 6.402 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.482 1.273 4.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.117 -2.032 8.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.991 1.254 6.313 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.309 -0.374 8.124 1.00 0.00 H new ATOM 686 N LEU A 45 4.963 1.233 0.146 1.00 0.00 N ATOM 687 CA LEU A 45 4.955 2.183 -0.940 1.00 0.00 C ATOM 688 C LEU A 45 4.580 3.555 -0.412 1.00 0.00 C ATOM 689 O LEU A 45 4.042 3.677 0.686 1.00 0.00 O ATOM 690 CB LEU A 45 3.957 1.755 -2.011 1.00 0.00 C ATOM 691 CG LEU A 45 4.238 0.404 -2.673 1.00 0.00 C ATOM 692 CD1 LEU A 45 3.099 0.023 -3.607 1.00 0.00 C ATOM 693 CD2 LEU A 45 5.556 0.444 -3.434 1.00 0.00 C ATOM 0 H LEU A 45 4.048 1.062 0.562 1.00 0.00 H new ATOM 0 HA LEU A 45 5.950 2.222 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.963 1.721 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.932 2.521 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 45 4.314 -0.352 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.315 -0.940 -4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.171 -0.047 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.994 0.782 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.738 -0.526 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.507 1.212 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.368 0.674 -2.744 1.00 0.00 H new ATOM 705 N SER A 46 4.854 4.575 -1.190 1.00 0.00 N ATOM 706 CA SER A 46 4.517 5.930 -0.806 1.00 0.00 C ATOM 707 C SER A 46 4.004 6.701 -2.009 1.00 0.00 C ATOM 708 O SER A 46 4.710 6.867 -3.003 1.00 0.00 O ATOM 709 CB SER A 46 5.736 6.630 -0.196 1.00 0.00 C ATOM 710 OG SER A 46 5.414 7.937 0.257 1.00 0.00 O ATOM 0 H SER A 46 5.312 4.494 -2.098 1.00 0.00 H new ATOM 0 HA SER A 46 3.729 5.897 -0.053 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.117 6.039 0.637 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.533 6.687 -0.938 1.00 0.00 H new ATOM 0 HG SER A 46 6.212 8.356 0.642 1.00 0.00 H new ATOM 716 N ILE A 47 2.755 7.134 -1.923 1.00 0.00 N ATOM 717 CA ILE A 47 2.151 7.945 -2.965 1.00 0.00 C ATOM 718 C ILE A 47 2.805 9.322 -2.990 1.00 0.00 C ATOM 719 O ILE A 47 2.839 10.010 -1.967 1.00 0.00 O ATOM 720 CB ILE A 47 0.631 8.107 -2.743 1.00 0.00 C ATOM 721 CG1 ILE A 47 -0.034 6.733 -2.624 1.00 0.00 C ATOM 722 CG2 ILE A 47 0.010 8.912 -3.879 1.00 0.00 C ATOM 723 CD1 ILE A 47 -1.519 6.803 -2.346 1.00 0.00 C ATOM 0 H ILE A 47 2.138 6.934 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 47 2.308 7.438 -3.917 1.00 0.00 H new ATOM 0 HB ILE A 47 0.468 8.651 -1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.129 6.178 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.451 6.171 -1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.061 9.017 -3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.470 9.900 -3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.177 8.396 -4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.924 5.793 -2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.689 7.330 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.016 7.336 -3.156 1.00 0.00 H new ATOM 735 N PRO A 48 3.366 9.722 -4.145 1.00 0.00 N ATOM 736 CA PRO A 48 3.993 11.034 -4.307 1.00 0.00 C ATOM 737 C PRO A 48 3.077 12.158 -3.832 1.00 0.00 C ATOM 738 O PRO A 48 1.906 12.235 -4.216 1.00 0.00 O ATOM 739 CB PRO A 48 4.269 11.139 -5.814 1.00 0.00 C ATOM 740 CG PRO A 48 3.579 9.967 -6.441 1.00 0.00 C ATOM 741 CD PRO A 48 3.441 8.925 -5.373 1.00 0.00 C ATOM 0 HA PRO A 48 4.900 11.132 -3.710 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.888 12.078 -6.216 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.340 11.116 -6.017 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.602 10.255 -6.829 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.155 9.584 -7.283 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.548 8.317 -5.515 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.292 8.244 -5.361 1.00 0.00 H new ATOM 749 N HIS A 49 3.638 13.045 -3.021 1.00 0.00 N ATOM 750 CA HIS A 49 2.861 14.010 -2.248 1.00 0.00 C ATOM 751 C HIS A 49 2.418 15.199 -3.099 1.00 0.00 C ATOM 752 O HIS A 49 1.841 16.158 -2.585 1.00 0.00 O ATOM 753 CB HIS A 49 3.705 14.505 -1.070 1.00 0.00 C ATOM 754 CG HIS A 49 2.926 14.689 0.191 1.00 0.00 C ATOM 755 ND1 HIS A 49 2.541 15.921 0.674 1.00 0.00 N ATOM 756 CD2 HIS A 49 2.472 13.779 1.078 1.00 0.00 C ATOM 757 CE1 HIS A 49 1.878 15.758 1.804 1.00 0.00 C ATOM 758 NE2 HIS A 49 1.821 14.466 2.072 1.00 0.00 N ATOM 0 H HIS A 49 4.645 13.117 -2.879 1.00 0.00 H new ATOM 0 HA HIS A 49 1.961 13.510 -1.888 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.511 13.794 -0.888 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.170 15.453 -1.341 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.598 12.708 1.017 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.454 16.547 2.407 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.368 14.047 2.884 1.00 0.00 H new ATOM 767 N GLU A 50 2.671 15.123 -4.394 1.00 0.00 N ATOM 768 CA GLU A 50 2.396 16.235 -5.295 1.00 0.00 C ATOM 769 C GLU A 50 1.478 15.822 -6.443 1.00 0.00 C ATOM 770 O GLU A 50 0.642 16.605 -6.892 1.00 0.00 O ATOM 771 CB GLU A 50 3.718 16.797 -5.819 1.00 0.00 C ATOM 772 CG GLU A 50 4.680 15.726 -6.301 1.00 0.00 C ATOM 773 CD GLU A 50 6.129 16.114 -6.099 1.00 0.00 C ATOM 774 OE1 GLU A 50 6.617 16.013 -4.953 1.00 0.00 O ATOM 775 OE2 GLU A 50 6.788 16.515 -7.080 1.00 0.00 O ATOM 0 H GLU A 50 3.068 14.301 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 50 1.869 17.011 -4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.512 17.485 -6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.197 17.376 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.479 14.796 -5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.503 15.533 -7.359 1.00 0.00 H new ATOM 782 N THR A 51 1.622 14.591 -6.909 1.00 0.00 N ATOM 783 CA THR A 51 0.774 14.085 -7.977 1.00 0.00 C ATOM 784 C THR A 51 -0.518 13.498 -7.415 1.00 0.00 C ATOM 785 O THR A 51 -1.602 13.735 -7.950 1.00 0.00 O ATOM 786 CB THR A 51 1.517 13.034 -8.813 1.00 0.00 C ATOM 787 OG1 THR A 51 2.472 12.362 -7.989 1.00 0.00 O ATOM 788 CG2 THR A 51 2.218 13.677 -9.999 1.00 0.00 C ATOM 0 H THR A 51 2.315 13.926 -6.566 1.00 0.00 H new ATOM 0 HA THR A 51 0.518 14.923 -8.625 1.00 0.00 H new ATOM 0 HB THR A 51 0.791 12.317 -9.197 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.855 11.607 -8.482 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.737 12.910 -10.575 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.482 14.171 -10.633 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.939 14.412 -9.641 1.00 0.00 H new ATOM 796 N GLY A 52 -0.397 12.736 -6.332 1.00 0.00 N ATOM 797 CA GLY A 52 -1.571 12.258 -5.626 1.00 0.00 C ATOM 798 C GLY A 52 -2.093 10.928 -6.137 1.00 0.00 C ATOM 799 O GLY A 52 -3.224 10.546 -5.835 1.00 0.00 O ATOM 0 H GLY A 52 0.493 12.441 -5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.332 12.161 -4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.362 13.004 -5.708 1.00 0.00 H new ATOM 803 N PHE A 53 -1.284 10.224 -6.911 1.00 0.00 N ATOM 804 CA PHE A 53 -1.653 8.900 -7.391 1.00 0.00 C ATOM 805 C PHE A 53 -0.407 8.049 -7.564 1.00 0.00 C ATOM 806 O PHE A 53 0.691 8.579 -7.749 1.00 0.00 O ATOM 807 CB PHE A 53 -2.439 8.986 -8.709 1.00 0.00 C ATOM 808 CG PHE A 53 -1.675 9.596 -9.854 1.00 0.00 C ATOM 809 CD1 PHE A 53 -1.665 10.968 -10.045 1.00 0.00 C ATOM 810 CD2 PHE A 53 -0.976 8.794 -10.743 1.00 0.00 C ATOM 811 CE1 PHE A 53 -0.967 11.529 -11.099 1.00 0.00 C ATOM 812 CE2 PHE A 53 -0.279 9.349 -11.798 1.00 0.00 C ATOM 813 CZ PHE A 53 -0.275 10.719 -11.977 1.00 0.00 C ATOM 0 H PHE A 53 -0.367 10.546 -7.221 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.302 8.433 -6.650 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.756 7.983 -8.994 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.344 9.570 -8.540 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.208 11.606 -9.364 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.977 7.722 -10.609 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.963 12.600 -11.235 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.262 8.713 -12.482 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.268 11.155 -12.802 1.00 0.00 H new ATOM 823 N VAL A 54 -0.570 6.740 -7.486 1.00 0.00 N ATOM 824 CA VAL A 54 0.546 5.831 -7.652 1.00 0.00 C ATOM 825 C VAL A 54 0.108 4.567 -8.381 1.00 0.00 C ATOM 826 O VAL A 54 -0.954 4.002 -8.104 1.00 0.00 O ATOM 827 CB VAL A 54 1.189 5.463 -6.291 1.00 0.00 C ATOM 828 CG1 VAL A 54 0.218 4.693 -5.406 1.00 0.00 C ATOM 829 CG2 VAL A 54 2.472 4.670 -6.492 1.00 0.00 C ATOM 0 H VAL A 54 -1.465 6.284 -7.309 1.00 0.00 H new ATOM 0 HA VAL A 54 1.297 6.345 -8.253 1.00 0.00 H new ATOM 0 HB VAL A 54 1.436 6.396 -5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.702 4.451 -4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.665 5.304 -5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.079 3.772 -5.907 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.904 4.424 -5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.250 3.751 -7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.182 5.266 -7.064 1.00 0.00 H new ATOM 839 N GLU A 55 0.915 4.147 -9.337 1.00 0.00 N ATOM 840 CA GLU A 55 0.684 2.905 -10.047 1.00 0.00 C ATOM 841 C GLU A 55 1.655 1.859 -9.529 1.00 0.00 C ATOM 842 O GLU A 55 2.871 2.020 -9.664 1.00 0.00 O ATOM 843 CB GLU A 55 0.867 3.118 -11.548 1.00 0.00 C ATOM 844 CG GLU A 55 0.023 4.256 -12.101 1.00 0.00 C ATOM 845 CD GLU A 55 0.249 4.499 -13.578 1.00 0.00 C ATOM 846 OE1 GLU A 55 1.327 5.015 -13.946 1.00 0.00 O ATOM 847 OE2 GLU A 55 -0.659 4.197 -14.377 1.00 0.00 O ATOM 0 H GLU A 55 1.745 4.655 -9.642 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.337 2.563 -9.878 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.918 3.321 -11.754 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.612 2.197 -12.072 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.031 4.034 -11.932 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.249 5.169 -11.550 1.00 0.00 H new ATOM 854 N CYS A 56 1.123 0.810 -8.909 1.00 0.00 N ATOM 855 CA CYS A 56 1.950 -0.199 -8.257 1.00 0.00 C ATOM 856 C CYS A 56 2.908 -0.851 -9.244 1.00 0.00 C ATOM 857 O CYS A 56 2.507 -1.678 -10.062 1.00 0.00 O ATOM 858 CB CYS A 56 1.073 -1.268 -7.600 1.00 0.00 C ATOM 859 SG CYS A 56 1.993 -2.531 -6.689 1.00 0.00 S ATOM 0 H CYS A 56 0.120 0.637 -8.845 1.00 0.00 H new ATOM 0 HA CYS A 56 2.539 0.302 -7.489 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.376 -0.781 -6.918 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.476 -1.755 -8.371 1.00 0.00 H new ATOM 0 HG CYS A 56 2.145 -2.151 -5.455 1.00 0.00 H new ATOM 865 N GLY A 57 4.179 -0.479 -9.148 1.00 0.00 N ATOM 866 CA GLY A 57 5.199 -1.067 -9.994 1.00 0.00 C ATOM 867 C GLY A 57 5.680 -2.390 -9.440 1.00 0.00 C ATOM 868 O GLY A 57 6.879 -2.663 -9.386 1.00 0.00 O ATOM 0 H GLY A 57 4.523 0.225 -8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.801 -1.214 -10.998 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.041 -0.380 -10.083 1.00 0.00 H new ATOM 872 N TYR A 58 4.730 -3.201 -9.018 1.00 0.00 N ATOM 873 CA TYR A 58 5.019 -4.494 -8.426 1.00 0.00 C ATOM 874 C TYR A 58 3.874 -5.451 -8.735 1.00 0.00 C ATOM 875 O TYR A 58 4.095 -6.603 -9.107 1.00 0.00 O ATOM 876 CB TYR A 58 5.195 -4.352 -6.913 1.00 0.00 C ATOM 877 CG TYR A 58 6.119 -5.378 -6.294 1.00 0.00 C ATOM 878 CD1 TYR A 58 5.707 -6.688 -6.086 1.00 0.00 C ATOM 879 CD2 TYR A 58 7.409 -5.029 -5.912 1.00 0.00 C ATOM 880 CE1 TYR A 58 6.554 -7.619 -5.517 1.00 0.00 C ATOM 881 CE2 TYR A 58 8.259 -5.954 -5.341 1.00 0.00 C ATOM 882 CZ TYR A 58 7.826 -7.246 -5.145 1.00 0.00 C ATOM 883 OH TYR A 58 8.669 -8.165 -4.564 1.00 0.00 O ATOM 0 H TYR A 58 3.735 -2.983 -9.076 1.00 0.00 H new ATOM 0 HA TYR A 58 5.945 -4.888 -8.845 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.580 -3.356 -6.696 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.217 -4.427 -6.437 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.709 -6.983 -6.374 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.752 -4.016 -6.065 1.00 0.00 H new ATOM 0 HE1 TYR A 58 6.220 -8.635 -5.365 1.00 0.00 H new ATOM 0 HE2 TYR A 58 9.258 -5.666 -5.050 1.00 0.00 H new ATOM 0 HH TYR A 58 9.529 -7.739 -4.364 1.00 0.00 H new ATOM 893 N CYS A 59 2.648 -4.963 -8.573 1.00 0.00 N ATOM 894 CA CYS A 59 1.470 -5.739 -8.919 1.00 0.00 C ATOM 895 C CYS A 59 0.902 -5.275 -10.255 1.00 0.00 C ATOM 896 O CYS A 59 1.212 -5.852 -11.300 1.00 0.00 O ATOM 897 CB CYS A 59 0.409 -5.632 -7.817 1.00 0.00 C ATOM 898 SG CYS A 59 -1.108 -6.557 -8.155 1.00 0.00 S ATOM 0 H CYS A 59 2.448 -4.033 -8.204 1.00 0.00 H new ATOM 0 HA CYS A 59 1.762 -6.785 -9.011 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.837 -5.988 -6.880 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.156 -4.582 -7.673 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.938 -6.405 -7.166 1.00 0.00 H new ATOM 904 N ASP A 60 0.097 -4.211 -10.207 1.00 0.00 N ATOM 905 CA ASP A 60 -0.557 -3.650 -11.394 1.00 0.00 C ATOM 906 C ASP A 60 -1.603 -2.621 -10.982 1.00 0.00 C ATOM 907 O ASP A 60 -1.797 -1.610 -11.656 1.00 0.00 O ATOM 908 CB ASP A 60 -1.232 -4.749 -12.225 1.00 0.00 C ATOM 909 CG ASP A 60 -1.911 -4.226 -13.480 1.00 0.00 C ATOM 910 OD1 ASP A 60 -1.286 -3.445 -14.228 1.00 0.00 O ATOM 911 OD2 ASP A 60 -3.063 -4.635 -13.745 1.00 0.00 O ATOM 0 H ASP A 60 -0.121 -3.713 -9.344 1.00 0.00 H new ATOM 0 HA ASP A 60 0.211 -3.172 -12.001 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.485 -5.491 -12.507 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.971 -5.259 -11.607 1.00 0.00 H new ATOM 916 N ARG A 61 -2.263 -2.888 -9.860 1.00 0.00 N ATOM 917 CA ARG A 61 -3.355 -2.044 -9.384 1.00 0.00 C ATOM 918 C ARG A 61 -2.891 -0.611 -9.123 1.00 0.00 C ATOM 919 O ARG A 61 -1.762 -0.376 -8.686 1.00 0.00 O ATOM 920 CB ARG A 61 -3.949 -2.639 -8.107 1.00 0.00 C ATOM 921 CG ARG A 61 -5.467 -2.593 -8.062 1.00 0.00 C ATOM 922 CD ARG A 61 -6.014 -3.300 -6.833 1.00 0.00 C ATOM 923 NE ARG A 61 -7.463 -3.493 -6.925 1.00 0.00 N ATOM 924 CZ ARG A 61 -8.241 -3.880 -5.913 1.00 0.00 C ATOM 925 NH1 ARG A 61 -7.716 -4.123 -4.716 1.00 0.00 N ATOM 926 NH2 ARG A 61 -9.550 -4.029 -6.102 1.00 0.00 N ATOM 0 H ARG A 61 -2.060 -3.687 -9.260 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.116 -2.010 -10.164 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.623 -3.675 -8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.552 -2.100 -7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.800 -1.555 -8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.872 -3.059 -8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.524 -4.267 -6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.779 -2.717 -5.942 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.908 -3.319 -7.826 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.713 -4.014 -4.567 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.316 -4.419 -3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.957 -3.847 -7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.146 -4.325 -5.329 1.00 0.00 H new ATOM 940 N ARG A 62 -3.773 0.337 -9.399 1.00 0.00 N ATOM 941 CA ARG A 62 -3.481 1.751 -9.204 1.00 0.00 C ATOM 942 C ARG A 62 -4.172 2.270 -7.941 1.00 0.00 C ATOM 943 O ARG A 62 -5.296 1.876 -7.631 1.00 0.00 O ATOM 944 CB ARG A 62 -3.936 2.561 -10.428 1.00 0.00 C ATOM 945 CG ARG A 62 -3.810 4.069 -10.254 1.00 0.00 C ATOM 946 CD ARG A 62 -4.403 4.830 -11.430 1.00 0.00 C ATOM 947 NE ARG A 62 -3.501 4.888 -12.581 1.00 0.00 N ATOM 948 CZ ARG A 62 -3.603 5.798 -13.552 1.00 0.00 C ATOM 949 NH1 ARG A 62 -4.599 6.678 -13.542 1.00 0.00 N ATOM 950 NH2 ARG A 62 -2.713 5.828 -14.533 1.00 0.00 N ATOM 0 H ARG A 62 -4.708 0.151 -9.763 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.404 1.869 -9.085 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.347 2.255 -11.293 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.975 2.316 -10.647 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.313 4.371 -9.336 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.759 4.335 -10.143 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.337 4.355 -11.730 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.648 5.844 -11.114 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.754 4.196 -12.645 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.289 6.659 -12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.674 7.372 -14.286 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.947 5.154 -14.548 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.794 6.525 -15.274 1.00 0.00 H new ATOM 964 N TYR A 63 -3.488 3.147 -7.218 1.00 0.00 N ATOM 965 CA TYR A 63 -4.040 3.754 -6.017 1.00 0.00 C ATOM 966 C TYR A 63 -4.054 5.269 -6.191 1.00 0.00 C ATOM 967 O TYR A 63 -3.148 5.826 -6.819 1.00 0.00 O ATOM 968 CB TYR A 63 -3.194 3.383 -4.790 1.00 0.00 C ATOM 969 CG TYR A 63 -3.037 1.895 -4.558 1.00 0.00 C ATOM 970 CD1 TYR A 63 -2.031 1.175 -5.189 1.00 0.00 C ATOM 971 CD2 TYR A 63 -3.887 1.214 -3.703 1.00 0.00 C ATOM 972 CE1 TYR A 63 -1.880 -0.179 -4.971 1.00 0.00 C ATOM 973 CE2 TYR A 63 -3.741 -0.139 -3.477 1.00 0.00 C ATOM 974 CZ TYR A 63 -2.737 -0.833 -4.114 1.00 0.00 C ATOM 975 OH TYR A 63 -2.589 -2.183 -3.890 1.00 0.00 O ATOM 0 H TYR A 63 -2.543 3.455 -7.446 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.054 3.386 -5.862 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.204 3.826 -4.900 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.647 3.829 -3.905 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.356 1.683 -5.861 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.679 1.752 -3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.093 -0.724 -5.471 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.411 -0.652 -2.803 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.788 -2.339 -3.347 1.00 0.00 H new ATOM 985 N ILE A 64 -5.069 5.934 -5.661 1.00 0.00 N ATOM 986 CA ILE A 64 -5.178 7.375 -5.811 1.00 0.00 C ATOM 987 C ILE A 64 -5.707 8.027 -4.532 1.00 0.00 C ATOM 988 O ILE A 64 -6.491 7.429 -3.794 1.00 0.00 O ATOM 989 CB ILE A 64 -6.087 7.724 -7.010 1.00 0.00 C ATOM 990 CG1 ILE A 64 -6.015 9.221 -7.331 1.00 0.00 C ATOM 991 CG2 ILE A 64 -7.525 7.296 -6.749 1.00 0.00 C ATOM 992 CD1 ILE A 64 -6.773 9.610 -8.583 1.00 0.00 C ATOM 0 H ILE A 64 -5.823 5.502 -5.127 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.180 7.770 -6.000 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.724 7.172 -7.877 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.412 9.785 -6.486 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.970 9.510 -7.445 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.143 7.554 -7.609 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.560 6.219 -6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -7.902 7.809 -5.864 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.678 10.683 -8.747 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.362 9.074 -9.438 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.826 9.353 -8.466 1.00 0.00 H new ATOM 1004 N HIS A 65 -5.257 9.247 -4.269 1.00 0.00 N ATOM 1005 CA HIS A 65 -5.678 9.986 -3.086 1.00 0.00 C ATOM 1006 C HIS A 65 -7.075 10.569 -3.300 1.00 0.00 C ATOM 1007 O HIS A 65 -7.442 10.912 -4.424 1.00 0.00 O ATOM 1008 CB HIS A 65 -4.671 11.099 -2.782 1.00 0.00 C ATOM 1009 CG HIS A 65 -4.845 11.717 -1.429 1.00 0.00 C ATOM 1010 ND1 HIS A 65 -5.570 12.869 -1.253 1.00 0.00 N ATOM 1011 CD2 HIS A 65 -4.362 11.307 -0.230 1.00 0.00 C ATOM 1012 CE1 HIS A 65 -5.512 13.134 0.043 1.00 0.00 C ATOM 1013 NE2 HIS A 65 -4.792 12.216 0.702 1.00 0.00 N ATOM 0 H HIS A 65 -4.596 9.748 -4.863 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.715 9.307 -2.234 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.662 10.695 -2.860 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.762 11.876 -3.541 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.755 10.433 -0.045 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.986 13.984 0.511 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.601 12.197 1.704 1.00 0.00 H new ATOM 1021 N GLU A 66 -7.842 10.684 -2.218 1.00 0.00 N ATOM 1022 CA GLU A 66 -9.228 11.133 -2.287 1.00 0.00 C ATOM 1023 C GLU A 66 -9.367 12.522 -2.917 1.00 0.00 C ATOM 1024 O GLU A 66 -10.346 12.791 -3.617 1.00 0.00 O ATOM 1025 CB GLU A 66 -9.862 11.087 -0.889 1.00 0.00 C ATOM 1026 CG GLU A 66 -9.089 11.817 0.208 1.00 0.00 C ATOM 1027 CD GLU A 66 -9.394 13.301 0.281 1.00 0.00 C ATOM 1028 OE1 GLU A 66 -10.587 13.666 0.284 1.00 0.00 O ATOM 1029 OE2 GLU A 66 -8.440 14.105 0.363 1.00 0.00 O ATOM 0 H GLU A 66 -7.521 10.469 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.765 10.449 -2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.863 11.513 -0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.977 10.044 -0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.320 11.359 1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.021 11.682 0.039 1.00 0.00 H new ATOM 1036 N SER A 67 -8.377 13.378 -2.703 1.00 0.00 N ATOM 1037 CA SER A 67 -8.416 14.738 -3.223 1.00 0.00 C ATOM 1038 C SER A 67 -8.295 14.741 -4.745 1.00 0.00 C ATOM 1039 O SER A 67 -8.869 15.591 -5.429 1.00 0.00 O ATOM 1040 CB SER A 67 -7.287 15.565 -2.595 1.00 0.00 C ATOM 1041 OG SER A 67 -7.294 16.904 -3.061 1.00 0.00 O ATOM 0 H SER A 67 -7.536 13.154 -2.172 1.00 0.00 H new ATOM 0 HA SER A 67 -9.375 15.185 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.391 15.557 -1.510 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.327 15.104 -2.827 1.00 0.00 H new ATOM 0 HG SER A 67 -6.563 17.401 -2.639 1.00 0.00 H new ATOM 1047 N PHE A 68 -7.569 13.774 -5.273 1.00 0.00 N ATOM 1048 CA PHE A 68 -7.314 13.710 -6.696 1.00 0.00 C ATOM 1049 C PHE A 68 -8.291 12.775 -7.392 1.00 0.00 C ATOM 1050 O PHE A 68 -8.329 12.694 -8.620 1.00 0.00 O ATOM 1051 CB PHE A 68 -5.886 13.245 -6.920 1.00 0.00 C ATOM 1052 CG PHE A 68 -4.864 14.240 -6.443 1.00 0.00 C ATOM 1053 CD1 PHE A 68 -4.427 15.260 -7.275 1.00 0.00 C ATOM 1054 CD2 PHE A 68 -4.351 14.163 -5.157 1.00 0.00 C ATOM 1055 CE1 PHE A 68 -3.495 16.179 -6.832 1.00 0.00 C ATOM 1056 CE2 PHE A 68 -3.420 15.080 -4.711 1.00 0.00 C ATOM 1057 CZ PHE A 68 -2.990 16.090 -5.550 1.00 0.00 C ATOM 0 H PHE A 68 -7.145 13.020 -4.733 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.452 14.703 -7.124 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.732 12.298 -6.403 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.733 13.056 -7.983 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.819 15.337 -8.278 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.684 13.376 -4.496 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.161 16.968 -7.489 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.028 15.008 -3.707 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.261 16.808 -5.204 1.00 0.00 H new ATOM 1067 N ALA A 69 -9.085 12.087 -6.596 1.00 0.00 N ATOM 1068 CA ALA A 69 -10.024 11.100 -7.112 1.00 0.00 C ATOM 1069 C ALA A 69 -11.452 11.632 -7.110 1.00 0.00 C ATOM 1070 O ALA A 69 -12.063 11.799 -8.165 1.00 0.00 O ATOM 1071 CB ALA A 69 -9.944 9.819 -6.294 1.00 0.00 C ATOM 0 H ALA A 69 -9.101 12.192 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.747 10.886 -8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.651 9.090 -6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.934 9.413 -6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.190 10.035 -5.254 1.00 0.00 H new ATOM 1077 N ALA A 70 -11.974 11.908 -5.924 1.00 0.00 N ATOM 1078 CA ALA A 70 -13.366 12.302 -5.777 1.00 0.00 C ATOM 1079 C ALA A 70 -13.526 13.809 -5.894 1.00 0.00 C ATOM 1080 O ALA A 70 -14.205 14.295 -6.798 1.00 0.00 O ATOM 1081 CB ALA A 70 -13.912 11.813 -4.445 1.00 0.00 C ATOM 0 H ALA A 70 -11.453 11.866 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.936 11.841 -6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.955 12.114 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.842 10.726 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.331 12.248 -3.632 1.00 0.00 H new ATOM 1087 N ALA A 71 -12.882 14.536 -4.978 1.00 0.00 N ATOM 1088 CA ALA A 71 -12.998 15.990 -4.901 1.00 0.00 C ATOM 1089 C ALA A 71 -14.461 16.423 -4.764 1.00 0.00 C ATOM 1090 O ALA A 71 -15.048 16.302 -3.685 1.00 0.00 O ATOM 1091 CB ALA A 71 -12.329 16.664 -6.090 1.00 0.00 C ATOM 0 H ALA A 71 -12.267 14.132 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.472 16.315 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -12.434 17.745 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.271 16.402 -6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.802 16.328 -7.013 1.00 0.00 H new ATOM 1097 N LYS A 72 -15.062 16.905 -5.852 1.00 0.00 N ATOM 1098 CA LYS A 72 -16.454 17.351 -5.823 1.00 0.00 C ATOM 1099 C LYS A 72 -17.189 16.984 -7.109 1.00 0.00 C ATOM 1100 O LYS A 72 -17.942 16.014 -7.151 1.00 0.00 O ATOM 1101 CB LYS A 72 -16.568 18.869 -5.583 1.00 0.00 C ATOM 1102 CG LYS A 72 -16.475 19.292 -4.119 1.00 0.00 C ATOM 1103 CD LYS A 72 -15.036 19.489 -3.663 1.00 0.00 C ATOM 1104 CE LYS A 72 -14.965 19.860 -2.190 1.00 0.00 C ATOM 1105 NZ LYS A 72 -15.317 18.720 -1.301 1.00 0.00 N ATOM 0 H LYS A 72 -14.608 16.996 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.923 16.831 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.780 19.372 -6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -17.518 19.217 -5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.029 20.220 -3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.951 18.536 -3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.470 18.574 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.568 20.272 -4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.959 20.205 -1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.641 20.692 -1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.125 18.979 -0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.326 18.494 -1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.747 17.890 -1.559 1.00 0.00 H new ATOM 1119 N LEU A 73 -16.968 17.765 -8.160 1.00 0.00 N ATOM 1120 CA LEU A 73 -17.712 17.610 -9.398 1.00 0.00 C ATOM 1121 C LEU A 73 -16.774 17.458 -10.588 1.00 0.00 C ATOM 1122 O LEU A 73 -15.640 17.938 -10.556 1.00 0.00 O ATOM 1123 CB LEU A 73 -18.608 18.831 -9.615 1.00 0.00 C ATOM 1124 CG LEU A 73 -19.663 19.080 -8.534 1.00 0.00 C ATOM 1125 CD1 LEU A 73 -20.409 20.376 -8.810 1.00 0.00 C ATOM 1126 CD2 LEU A 73 -20.634 17.913 -8.456 1.00 0.00 C ATOM 0 H LEU A 73 -16.276 18.514 -8.176 1.00 0.00 H new ATOM 0 HA LEU A 73 -18.320 16.709 -9.318 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.975 19.715 -9.689 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -19.115 18.721 -10.573 1.00 0.00 H new ATOM 0 HG LEU A 73 -19.157 19.170 -7.573 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -21.156 20.539 -8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -19.704 21.207 -8.816 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.903 20.312 -9.780 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -21.376 18.108 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -21.135 17.791 -9.417 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -20.088 17.001 -8.213 1.00 0.00 H new ATOM 1138 N GLU A 74 -17.252 16.785 -11.632 1.00 0.00 N ATOM 1139 CA GLU A 74 -16.507 16.683 -12.882 1.00 0.00 C ATOM 1140 C GLU A 74 -16.348 18.081 -13.465 1.00 0.00 C ATOM 1141 O GLU A 74 -15.250 18.628 -13.550 1.00 0.00 O ATOM 1142 CB GLU A 74 -17.262 15.800 -13.883 1.00 0.00 C ATOM 1143 CG GLU A 74 -17.842 14.530 -13.279 1.00 0.00 C ATOM 1144 CD GLU A 74 -16.787 13.609 -12.705 1.00 0.00 C ATOM 1145 OE1 GLU A 74 -16.154 12.869 -13.485 1.00 0.00 O ATOM 1146 OE2 GLU A 74 -16.590 13.615 -11.472 1.00 0.00 O ATOM 0 H GLU A 74 -18.151 16.303 -11.636 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.532 16.236 -12.688 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.071 16.381 -14.325 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.585 15.528 -14.693 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -18.548 14.798 -12.493 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.405 13.995 -14.044 1.00 0.00 H new ATOM 1153 N HIS A 75 -17.483 18.646 -13.845 1.00 0.00 N ATOM 1154 CA HIS A 75 -17.582 20.037 -14.258 1.00 0.00 C ATOM 1155 C HIS A 75 -18.840 20.624 -13.647 1.00 0.00 C ATOM 1156 O HIS A 75 -19.698 19.882 -13.168 1.00 0.00 O ATOM 1157 CB HIS A 75 -17.636 20.175 -15.785 1.00 0.00 C ATOM 1158 CG HIS A 75 -16.319 19.959 -16.468 1.00 0.00 C ATOM 1159 ND1 HIS A 75 -16.098 18.938 -17.361 1.00 0.00 N ATOM 1160 CD2 HIS A 75 -15.158 20.655 -16.400 1.00 0.00 C ATOM 1161 CE1 HIS A 75 -14.864 19.014 -17.819 1.00 0.00 C ATOM 1162 NE2 HIS A 75 -14.271 20.047 -17.250 1.00 0.00 N ATOM 0 H HIS A 75 -18.371 18.146 -13.876 1.00 0.00 H new ATOM 0 HA HIS A 75 -16.696 20.571 -13.915 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -18.358 19.459 -16.178 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -18.004 21.170 -16.036 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -14.967 21.526 -15.790 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -14.415 18.345 -18.538 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -13.309 20.344 -17.416 1.00 0.00 H new ATOM 1171 N HIS A 76 -18.954 21.937 -13.645 1.00 0.00 N ATOM 1172 CA HIS A 76 -20.147 22.575 -13.122 1.00 0.00 C ATOM 1173 C HIS A 76 -21.304 22.358 -14.095 1.00 0.00 C ATOM 1174 O HIS A 76 -21.363 22.984 -15.154 1.00 0.00 O ATOM 1175 CB HIS A 76 -19.896 24.071 -12.887 1.00 0.00 C ATOM 1176 CG HIS A 76 -20.988 24.775 -12.128 1.00 0.00 C ATOM 1177 ND1 HIS A 76 -20.934 26.114 -11.821 1.00 0.00 N ATOM 1178 CD2 HIS A 76 -22.162 24.326 -11.615 1.00 0.00 C ATOM 1179 CE1 HIS A 76 -22.021 26.461 -11.158 1.00 0.00 C ATOM 1180 NE2 HIS A 76 -22.783 25.395 -11.018 1.00 0.00 N ATOM 0 H HIS A 76 -18.243 22.579 -13.996 1.00 0.00 H new ATOM 0 HA HIS A 76 -20.407 22.129 -12.162 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -18.959 24.188 -12.343 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -19.768 24.561 -13.852 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -22.538 23.315 -11.667 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -22.248 27.451 -10.792 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -23.686 25.368 -10.544 1.00 0.00 H new ATOM 1189 N HIS A 77 -22.195 21.434 -13.743 1.00 0.00 N ATOM 1190 CA HIS A 77 -23.329 21.087 -14.597 1.00 0.00 C ATOM 1191 C HIS A 77 -24.159 22.321 -14.935 1.00 0.00 C ATOM 1192 O HIS A 77 -24.392 23.175 -14.083 1.00 0.00 O ATOM 1193 CB HIS A 77 -24.211 20.015 -13.935 1.00 0.00 C ATOM 1194 CG HIS A 77 -24.827 20.430 -12.633 1.00 0.00 C ATOM 1195 ND1 HIS A 77 -24.268 20.135 -11.408 1.00 0.00 N ATOM 1196 CD2 HIS A 77 -25.963 21.117 -12.371 1.00 0.00 C ATOM 1197 CE1 HIS A 77 -25.042 20.618 -10.452 1.00 0.00 C ATOM 1198 NE2 HIS A 77 -26.071 21.219 -11.010 1.00 0.00 N ATOM 0 H HIS A 77 -22.153 20.910 -12.869 1.00 0.00 H new ATOM 0 HA HIS A 77 -22.929 20.678 -15.525 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -25.007 19.740 -14.627 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -23.610 19.121 -13.769 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -26.656 21.511 -13.100 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -24.860 20.534 -9.391 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -26.827 21.686 -10.509 1.00 0.00 H new ATOM 1207 N HIS A 78 -24.571 22.410 -16.187 1.00 0.00 N ATOM 1208 CA HIS A 78 -25.383 23.525 -16.651 1.00 0.00 C ATOM 1209 C HIS A 78 -26.658 23.003 -17.300 1.00 0.00 C ATOM 1210 O HIS A 78 -26.610 22.293 -18.307 1.00 0.00 O ATOM 1211 CB HIS A 78 -24.591 24.385 -17.646 1.00 0.00 C ATOM 1212 CG HIS A 78 -25.330 25.601 -18.123 1.00 0.00 C ATOM 1213 ND1 HIS A 78 -26.005 25.650 -19.326 1.00 0.00 N ATOM 1214 CD2 HIS A 78 -25.481 26.826 -17.563 1.00 0.00 C ATOM 1215 CE1 HIS A 78 -26.538 26.848 -19.482 1.00 0.00 C ATOM 1216 NE2 HIS A 78 -26.234 27.578 -18.428 1.00 0.00 N ATOM 0 H HIS A 78 -24.356 21.719 -16.906 1.00 0.00 H new ATOM 0 HA HIS A 78 -25.651 24.146 -15.796 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -23.659 24.699 -17.177 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -24.324 23.773 -18.508 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -25.083 27.150 -16.613 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -27.123 27.174 -20.329 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -26.514 28.547 -18.279 1.00 0.00 H new ATOM 1225 N HIS A 79 -27.788 23.351 -16.707 1.00 0.00 N ATOM 1226 CA HIS A 79 -29.085 22.928 -17.212 1.00 0.00 C ATOM 1227 C HIS A 79 -29.373 23.587 -18.557 1.00 0.00 C ATOM 1228 O HIS A 79 -29.211 24.799 -18.709 1.00 0.00 O ATOM 1229 CB HIS A 79 -30.184 23.283 -16.203 1.00 0.00 C ATOM 1230 CG HIS A 79 -31.541 22.796 -16.597 1.00 0.00 C ATOM 1231 ND1 HIS A 79 -32.473 23.589 -17.230 1.00 0.00 N ATOM 1232 CD2 HIS A 79 -32.131 21.591 -16.427 1.00 0.00 C ATOM 1233 CE1 HIS A 79 -33.574 22.895 -17.433 1.00 0.00 C ATOM 1234 NE2 HIS A 79 -33.392 21.679 -16.958 1.00 0.00 N ATOM 0 H HIS A 79 -27.833 23.930 -15.869 1.00 0.00 H new ATOM 0 HA HIS A 79 -29.069 21.847 -17.352 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -29.924 22.861 -15.232 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -30.217 24.366 -16.081 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -31.691 20.722 -15.960 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -34.473 23.260 -17.908 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -34.079 20.925 -16.982 1.00 0.00 H new ATOM 1243 N HIS A 80 -29.776 22.786 -19.533 1.00 0.00 N ATOM 1244 CA HIS A 80 -30.146 23.314 -20.841 1.00 0.00 C ATOM 1245 C HIS A 80 -31.668 23.400 -20.968 1.00 0.00 C ATOM 1246 O HIS A 80 -32.257 22.654 -21.775 1.00 0.00 O ATOM 1247 CB HIS A 80 -29.527 22.474 -21.981 1.00 0.00 C ATOM 1248 CG HIS A 80 -29.766 20.993 -21.885 1.00 0.00 C ATOM 1249 ND1 HIS A 80 -28.846 20.118 -21.353 1.00 0.00 N ATOM 1250 CD2 HIS A 80 -30.817 20.233 -22.274 1.00 0.00 C ATOM 1251 CE1 HIS A 80 -29.321 18.890 -21.415 1.00 0.00 C ATOM 1252 NE2 HIS A 80 -30.519 18.928 -21.968 1.00 0.00 N ATOM 1253 OXT HIS A 80 -32.274 24.206 -20.232 1.00 0.00 O ATOM 0 H HIS A 80 -29.855 21.773 -19.446 1.00 0.00 H new ATOM 0 HA HIS A 80 -29.742 24.322 -20.932 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -29.926 22.830 -22.931 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -28.452 22.652 -22.000 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -31.724 20.588 -22.740 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -28.814 18.001 -21.071 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -31.122 18.123 -22.139 1.00 0.00 H new TER 1262 HIS A 80