USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=19 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 -112:sc= 1.56 USER MOD Set 1.2: A 40 HIS : no HE2:sc= -2.16! C(o=-1.5!,f=-4.4!) USER MOD Set 1.3: A 56 CYS SG : rot 163:sc= 1.77 USER MOD Set 1.4: A 59 CYS SG : rot 157:sc= -4.08! USER MOD Set 1.5: A 63 TYR OH : rot -168:sc= 1.39 USER MOD Single : A 1 MET CE :methyl 140:sc= -0.0692 (180deg=-0.511) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.209 (180deg=-0.443) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0237) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 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 90:sc= 0 USER MOD Single : A 25 SER OG : rot 75:sc= 1.23 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 :FLIP no HD1:sc=-0.000191 F(o=-0.52,f=-0.00019) USER MOD Single : A 51 THR OG1 : rot 173:sc= -0.795 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0.729 K(o=0.73,f=-4.8!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.24) USER MOD Single : A 77 HIS : no HD1:sc= -0.305 X(o=-0.3,f=-0.013) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.425 22.944 -54.823 1.00 0.00 N ATOM 2 CA MET A 1 -28.216 21.797 -53.903 1.00 0.00 C ATOM 3 C MET A 1 -27.333 22.189 -52.719 1.00 0.00 C ATOM 4 O MET A 1 -26.873 21.330 -51.962 1.00 0.00 O ATOM 5 CB MET A 1 -27.611 20.600 -54.661 1.00 0.00 C ATOM 6 CG MET A 1 -26.408 20.935 -55.542 1.00 0.00 C ATOM 7 SD MET A 1 -24.922 21.373 -54.615 1.00 0.00 S ATOM 8 CE MET A 1 -24.557 19.824 -53.788 1.00 0.00 C ATOM 0 H1 MET A 1 -28.881 22.610 -55.696 1.00 0.00 H new ATOM 0 H2 MET A 1 -29.033 23.651 -54.363 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.507 23.375 -55.055 1.00 0.00 H new ATOM 0 HA MET A 1 -29.188 21.502 -53.508 1.00 0.00 H new ATOM 0 HB2 MET A 1 -27.312 19.844 -53.936 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.386 20.155 -55.285 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.187 20.079 -56.180 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.671 21.763 -56.200 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.480 19.654 -53.792 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.913 19.868 -52.759 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.055 19.007 -54.310 1.00 0.00 H new ATOM 20 N ARG A 2 -27.122 23.488 -52.544 1.00 0.00 N ATOM 21 CA ARG A 2 -26.263 23.988 -51.481 1.00 0.00 C ATOM 22 C ARG A 2 -27.054 24.132 -50.185 1.00 0.00 C ATOM 23 O ARG A 2 -27.842 25.067 -50.028 1.00 0.00 O ATOM 24 CB ARG A 2 -25.661 25.340 -51.879 1.00 0.00 C ATOM 25 CG ARG A 2 -24.894 25.302 -53.190 1.00 0.00 C ATOM 26 CD ARG A 2 -23.647 24.442 -53.084 1.00 0.00 C ATOM 27 NE ARG A 2 -23.024 24.227 -54.388 1.00 0.00 N ATOM 28 CZ ARG A 2 -21.964 24.901 -54.829 1.00 0.00 C ATOM 29 NH1 ARG A 2 -21.416 25.855 -54.085 1.00 0.00 N ATOM 30 NH2 ARG A 2 -21.458 24.627 -56.023 1.00 0.00 N ATOM 0 H ARG A 2 -27.536 24.215 -53.127 1.00 0.00 H new ATOM 0 HA ARG A 2 -25.455 23.274 -51.323 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -26.461 26.076 -51.957 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -24.993 25.678 -51.087 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -25.539 24.913 -53.978 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -24.614 26.315 -53.478 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -22.932 24.919 -52.414 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -23.905 23.480 -52.642 1.00 0.00 H new ATOM 0 HE ARG A 2 -23.426 23.516 -54.999 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -21.807 26.075 -53.169 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -20.604 26.367 -54.429 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -21.881 23.901 -56.602 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -20.646 25.142 -56.363 1.00 0.00 H new ATOM 44 N ARG A 3 -26.858 23.198 -49.270 1.00 0.00 N ATOM 45 CA ARG A 3 -27.560 23.224 -47.995 1.00 0.00 C ATOM 46 C ARG A 3 -26.650 23.765 -46.904 1.00 0.00 C ATOM 47 O ARG A 3 -25.425 23.686 -47.015 1.00 0.00 O ATOM 48 CB ARG A 3 -28.066 21.825 -47.624 1.00 0.00 C ATOM 49 CG ARG A 3 -26.971 20.774 -47.569 1.00 0.00 C ATOM 50 CD ARG A 3 -27.527 19.404 -47.217 1.00 0.00 C ATOM 51 NE ARG A 3 -26.521 18.352 -47.375 1.00 0.00 N ATOM 52 CZ ARG A 3 -26.807 17.076 -47.645 1.00 0.00 C ATOM 53 NH1 ARG A 3 -28.071 16.656 -47.654 1.00 0.00 N ATOM 54 NH2 ARG A 3 -25.823 16.212 -47.866 1.00 0.00 N ATOM 0 H ARG A 3 -26.219 22.411 -49.385 1.00 0.00 H new ATOM 0 HA ARG A 3 -28.422 23.884 -48.091 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -28.561 21.873 -46.654 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -28.818 21.516 -48.350 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -26.464 20.725 -48.533 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -26.224 21.065 -46.831 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -27.887 19.411 -46.188 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -28.385 19.185 -47.853 1.00 0.00 H new ATOM 0 HE ARG A 3 -25.540 18.610 -47.272 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -28.827 17.310 -47.454 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -28.283 15.680 -47.861 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -24.853 16.524 -47.829 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -26.038 15.236 -48.073 1.00 0.00 H new ATOM 68 N GLN A 4 -27.249 24.328 -45.866 1.00 0.00 N ATOM 69 CA GLN A 4 -26.487 24.867 -44.750 1.00 0.00 C ATOM 70 C GLN A 4 -25.935 23.734 -43.894 1.00 0.00 C ATOM 71 O GLN A 4 -26.691 22.962 -43.299 1.00 0.00 O ATOM 72 CB GLN A 4 -27.350 25.820 -43.915 1.00 0.00 C ATOM 73 CG GLN A 4 -27.763 27.068 -44.675 1.00 0.00 C ATOM 74 CD GLN A 4 -28.576 28.035 -43.836 1.00 0.00 C ATOM 75 OE1 GLN A 4 -28.426 28.101 -42.613 1.00 0.00 O ATOM 76 NE2 GLN A 4 -29.439 28.794 -44.490 1.00 0.00 N ATOM 0 H GLN A 4 -28.260 24.424 -45.773 1.00 0.00 H new ATOM 0 HA GLN A 4 -25.647 25.438 -45.144 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -28.244 25.293 -43.580 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -26.798 26.112 -43.021 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -26.870 27.575 -45.040 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -28.345 26.777 -45.550 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -29.531 28.706 -45.502 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -30.013 29.467 -43.982 1.00 0.00 H new ATOM 85 N PRO A 5 -24.598 23.620 -43.839 1.00 0.00 N ATOM 86 CA PRO A 5 -23.916 22.526 -43.142 1.00 0.00 C ATOM 87 C PRO A 5 -24.276 22.455 -41.664 1.00 0.00 C ATOM 88 O PRO A 5 -24.263 23.463 -40.956 1.00 0.00 O ATOM 89 CB PRO A 5 -22.428 22.855 -43.310 1.00 0.00 C ATOM 90 CG PRO A 5 -22.365 23.771 -44.481 1.00 0.00 C ATOM 91 CD PRO A 5 -23.642 24.558 -44.451 1.00 0.00 C ATOM 0 HA PRO A 5 -24.201 21.556 -43.551 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -22.026 23.330 -42.415 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -21.842 21.953 -43.483 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -21.498 24.429 -44.417 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -22.272 23.211 -45.411 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -23.540 25.470 -43.863 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -23.955 24.857 -45.451 1.00 0.00 H new ATOM 99 N LYS A 6 -24.611 21.258 -41.212 1.00 0.00 N ATOM 100 CA LYS A 6 -24.887 21.019 -39.806 1.00 0.00 C ATOM 101 C LYS A 6 -23.609 20.607 -39.086 1.00 0.00 C ATOM 102 O LYS A 6 -23.060 19.529 -39.332 1.00 0.00 O ATOM 103 CB LYS A 6 -25.980 19.954 -39.645 1.00 0.00 C ATOM 104 CG LYS A 6 -25.888 18.818 -40.650 1.00 0.00 C ATOM 105 CD LYS A 6 -27.032 17.835 -40.485 1.00 0.00 C ATOM 106 CE LYS A 6 -27.114 16.868 -41.656 1.00 0.00 C ATOM 107 NZ LYS A 6 -25.874 16.066 -41.819 1.00 0.00 N ATOM 0 H LYS A 6 -24.699 20.432 -41.803 1.00 0.00 H new ATOM 0 HA LYS A 6 -25.252 21.942 -39.356 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -25.924 19.540 -38.638 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -26.955 20.432 -39.740 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -25.899 19.224 -41.661 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -24.939 18.297 -40.526 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -26.901 17.275 -39.559 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -27.971 18.381 -40.397 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -27.960 16.197 -41.510 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -27.304 17.427 -42.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -26.022 15.343 -42.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -25.092 16.690 -42.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -25.639 15.603 -40.918 1.00 0.00 H new ATOM 121 N THR A 7 -23.128 21.477 -38.210 1.00 0.00 N ATOM 122 CA THR A 7 -21.874 21.252 -37.516 1.00 0.00 C ATOM 123 C THR A 7 -22.104 20.485 -36.217 1.00 0.00 C ATOM 124 O THR A 7 -22.390 21.068 -35.168 1.00 0.00 O ATOM 125 CB THR A 7 -21.155 22.585 -37.225 1.00 0.00 C ATOM 126 OG1 THR A 7 -21.071 23.358 -38.432 1.00 0.00 O ATOM 127 CG2 THR A 7 -19.752 22.343 -36.681 1.00 0.00 C ATOM 0 H THR A 7 -23.593 22.351 -37.964 1.00 0.00 H new ATOM 0 HA THR A 7 -21.238 20.653 -38.167 1.00 0.00 H new ATOM 0 HB THR A 7 -21.728 23.127 -36.473 1.00 0.00 H new ATOM 0 HG1 THR A 7 -20.616 24.206 -38.247 1.00 0.00 H new ATOM 0 HG21 THR A 7 -19.268 23.300 -36.485 1.00 0.00 H new ATOM 0 HG22 THR A 7 -19.814 21.771 -35.755 1.00 0.00 H new ATOM 0 HG23 THR A 7 -19.169 21.785 -37.414 1.00 0.00 H new ATOM 135 N ARG A 8 -22.013 19.168 -36.305 1.00 0.00 N ATOM 136 CA ARG A 8 -22.165 18.315 -35.144 1.00 0.00 C ATOM 137 C ARG A 8 -20.796 17.946 -34.586 1.00 0.00 C ATOM 138 O ARG A 8 -20.121 17.062 -35.105 1.00 0.00 O ATOM 139 CB ARG A 8 -22.953 17.054 -35.506 1.00 0.00 C ATOM 140 CG ARG A 8 -23.218 16.128 -34.325 1.00 0.00 C ATOM 141 CD ARG A 8 -24.066 14.933 -34.734 1.00 0.00 C ATOM 142 NE ARG A 8 -25.363 15.346 -35.267 1.00 0.00 N ATOM 143 CZ ARG A 8 -26.333 14.503 -35.616 1.00 0.00 C ATOM 144 NH1 ARG A 8 -26.172 13.192 -35.471 1.00 0.00 N ATOM 145 NH2 ARG A 8 -27.467 14.973 -36.111 1.00 0.00 N ATOM 0 H ARG A 8 -21.833 18.667 -37.175 1.00 0.00 H new ATOM 0 HA ARG A 8 -22.721 18.858 -34.380 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.906 17.347 -35.945 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -22.406 16.503 -36.271 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -22.270 15.780 -33.914 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -23.724 16.681 -33.534 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -23.534 14.349 -35.485 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -24.217 14.282 -33.873 1.00 0.00 H new ATOM 0 HE ARG A 8 -25.536 16.345 -35.379 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -25.300 12.824 -35.090 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -26.920 12.553 -35.741 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -27.596 15.978 -36.224 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -28.212 14.330 -36.379 1.00 0.00 H new ATOM 159 N GLN A 9 -20.389 18.647 -33.539 1.00 0.00 N ATOM 160 CA GLN A 9 -19.092 18.414 -32.911 1.00 0.00 C ATOM 161 C GLN A 9 -19.236 17.418 -31.770 1.00 0.00 C ATOM 162 O GLN A 9 -18.298 17.176 -31.013 1.00 0.00 O ATOM 163 CB GLN A 9 -18.505 19.730 -32.393 1.00 0.00 C ATOM 164 CG GLN A 9 -18.380 20.802 -33.463 1.00 0.00 C ATOM 165 CD GLN A 9 -17.811 22.098 -32.926 1.00 0.00 C ATOM 166 OE1 GLN A 9 -16.599 22.313 -32.940 1.00 0.00 O ATOM 167 NE2 GLN A 9 -18.680 22.969 -32.443 1.00 0.00 N ATOM 0 H GLN A 9 -20.940 19.386 -33.102 1.00 0.00 H new ATOM 0 HA GLN A 9 -18.412 18.001 -33.657 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.133 20.106 -31.585 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -17.520 19.537 -31.967 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.742 20.435 -34.267 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -19.361 20.993 -33.897 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -19.677 22.752 -32.450 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.354 23.858 -32.063 1.00 0.00 H new ATOM 176 N GLU A 10 -20.426 16.848 -31.664 1.00 0.00 N ATOM 177 CA GLU A 10 -20.739 15.877 -30.629 1.00 0.00 C ATOM 178 C GLU A 10 -20.118 14.524 -30.959 1.00 0.00 C ATOM 179 O GLU A 10 -20.555 13.838 -31.882 1.00 0.00 O ATOM 180 CB GLU A 10 -22.256 15.744 -30.498 1.00 0.00 C ATOM 181 CG GLU A 10 -22.951 17.052 -30.160 1.00 0.00 C ATOM 182 CD GLU A 10 -24.451 16.972 -30.332 1.00 0.00 C ATOM 183 OE1 GLU A 10 -25.126 16.412 -29.450 1.00 0.00 O ATOM 184 OE2 GLU A 10 -24.965 17.483 -31.356 1.00 0.00 O ATOM 0 H GLU A 10 -21.203 17.046 -32.295 1.00 0.00 H new ATOM 0 HA GLU A 10 -20.323 16.221 -29.682 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.661 15.357 -31.433 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -22.483 15.010 -29.725 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -22.721 17.327 -29.131 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.557 17.844 -30.797 1.00 0.00 H new ATOM 191 N SER A 11 -19.080 14.160 -30.228 1.00 0.00 N ATOM 192 CA SER A 11 -18.420 12.878 -30.420 1.00 0.00 C ATOM 193 C SER A 11 -18.316 12.143 -29.089 1.00 0.00 C ATOM 194 O SER A 11 -17.444 12.437 -28.271 1.00 0.00 O ATOM 195 CB SER A 11 -17.033 13.088 -31.029 1.00 0.00 C ATOM 196 OG SER A 11 -17.115 13.870 -32.206 1.00 0.00 O ATOM 0 H SER A 11 -18.673 14.737 -29.492 1.00 0.00 H new ATOM 0 HA SER A 11 -19.010 12.271 -31.107 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.383 13.579 -30.305 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.582 12.123 -31.259 1.00 0.00 H new ATOM 0 HG SER A 11 -16.217 13.994 -32.579 1.00 0.00 H new ATOM 202 N ALA A 12 -19.226 11.207 -28.862 1.00 0.00 N ATOM 203 CA ALA A 12 -19.280 10.499 -27.592 1.00 0.00 C ATOM 204 C ALA A 12 -18.512 9.185 -27.659 1.00 0.00 C ATOM 205 O ALA A 12 -18.704 8.391 -28.579 1.00 0.00 O ATOM 206 CB ALA A 12 -20.724 10.245 -27.188 1.00 0.00 C ATOM 0 H ALA A 12 -19.934 10.921 -29.538 1.00 0.00 H new ATOM 0 HA ALA A 12 -18.807 11.128 -26.838 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -20.748 9.715 -26.236 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -21.246 11.196 -27.086 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -21.215 9.642 -27.952 1.00 0.00 H new ATOM 212 N ARG A 13 -17.639 8.967 -26.682 1.00 0.00 N ATOM 213 CA ARG A 13 -16.885 7.727 -26.592 1.00 0.00 C ATOM 214 C ARG A 13 -16.546 7.430 -25.139 1.00 0.00 C ATOM 215 O ARG A 13 -15.932 8.248 -24.454 1.00 0.00 O ATOM 216 CB ARG A 13 -15.603 7.815 -27.423 1.00 0.00 C ATOM 217 CG ARG A 13 -14.835 6.505 -27.512 1.00 0.00 C ATOM 218 CD ARG A 13 -15.690 5.405 -28.118 1.00 0.00 C ATOM 219 NE ARG A 13 -14.945 4.162 -28.311 1.00 0.00 N ATOM 220 CZ ARG A 13 -15.513 2.962 -28.418 1.00 0.00 C ATOM 221 NH1 ARG A 13 -16.824 2.825 -28.231 1.00 0.00 N ATOM 222 NH2 ARG A 13 -14.760 1.901 -28.688 1.00 0.00 N ATOM 0 H ARG A 13 -17.437 9.637 -25.940 1.00 0.00 H new ATOM 0 HA ARG A 13 -17.498 6.918 -26.988 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -15.857 8.145 -28.430 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -14.954 8.577 -26.992 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.939 6.647 -28.116 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.505 6.206 -26.517 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -16.546 5.215 -27.470 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -16.084 5.742 -29.077 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.928 4.217 -28.367 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -17.395 3.640 -28.005 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.258 1.905 -28.313 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.753 2.008 -28.812 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.189 0.979 -28.771 1.00 0.00 H new ATOM 236 N MET A 14 -16.962 6.269 -24.674 1.00 0.00 N ATOM 237 CA MET A 14 -16.710 5.864 -23.301 1.00 0.00 C ATOM 238 C MET A 14 -15.579 4.848 -23.246 1.00 0.00 C ATOM 239 O MET A 14 -15.729 3.713 -23.696 1.00 0.00 O ATOM 240 CB MET A 14 -17.976 5.282 -22.669 1.00 0.00 C ATOM 241 CG MET A 14 -19.086 6.301 -22.473 1.00 0.00 C ATOM 242 SD MET A 14 -20.596 5.574 -21.809 1.00 0.00 S ATOM 243 CE MET A 14 -21.611 7.037 -21.590 1.00 0.00 C ATOM 0 H MET A 14 -17.478 5.585 -25.227 1.00 0.00 H new ATOM 0 HA MET A 14 -16.415 6.746 -22.733 1.00 0.00 H new ATOM 0 HB2 MET A 14 -18.346 4.472 -23.298 1.00 0.00 H new ATOM 0 HB3 MET A 14 -17.721 4.845 -21.703 1.00 0.00 H new ATOM 0 HG2 MET A 14 -18.739 7.084 -21.799 1.00 0.00 H new ATOM 0 HG3 MET A 14 -19.308 6.778 -23.428 1.00 0.00 H new ATOM 0 HE1 MET A 14 -22.581 6.749 -21.184 1.00 0.00 H new ATOM 0 HE2 MET A 14 -21.118 7.722 -20.900 1.00 0.00 H new ATOM 0 HE3 MET A 14 -21.752 7.530 -22.552 1.00 0.00 H new ATOM 253 N SER A 15 -14.445 5.266 -22.702 1.00 0.00 N ATOM 254 CA SER A 15 -13.275 4.407 -22.597 1.00 0.00 C ATOM 255 C SER A 15 -13.280 3.656 -21.266 1.00 0.00 C ATOM 256 O SER A 15 -12.279 3.649 -20.540 1.00 0.00 O ATOM 257 CB SER A 15 -12.010 5.254 -22.724 1.00 0.00 C ATOM 258 OG SER A 15 -12.041 6.032 -23.912 1.00 0.00 O ATOM 0 H SER A 15 -14.311 6.204 -22.323 1.00 0.00 H new ATOM 0 HA SER A 15 -13.298 3.672 -23.402 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.917 5.909 -21.858 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.133 4.607 -22.730 1.00 0.00 H new ATOM 0 HG SER A 15 -11.223 6.568 -23.973 1.00 0.00 H new ATOM 264 N ILE A 16 -14.413 3.012 -20.972 1.00 0.00 N ATOM 265 CA ILE A 16 -14.632 2.294 -19.723 1.00 0.00 C ATOM 266 C ILE A 16 -14.612 3.257 -18.529 1.00 0.00 C ATOM 267 O ILE A 16 -14.147 4.395 -18.624 1.00 0.00 O ATOM 268 CB ILE A 16 -13.581 1.184 -19.535 1.00 0.00 C ATOM 269 CG1 ILE A 16 -13.443 0.351 -20.815 1.00 0.00 C ATOM 270 CG2 ILE A 16 -13.915 0.273 -18.358 1.00 0.00 C ATOM 271 CD1 ILE A 16 -12.363 -0.705 -20.741 1.00 0.00 C ATOM 0 H ILE A 16 -15.211 2.977 -21.606 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.616 1.829 -19.773 1.00 0.00 H new ATOM 0 HB ILE A 16 -12.632 1.675 -19.318 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -14.397 -0.132 -21.028 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -13.230 1.018 -21.650 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -13.147 -0.495 -18.263 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -13.955 0.862 -17.442 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -14.882 -0.200 -18.527 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -12.325 -1.253 -21.682 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.400 -0.228 -20.560 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -12.585 -1.396 -19.928 1.00 0.00 H new ATOM 283 N GLU A 17 -15.105 2.790 -17.401 1.00 0.00 N ATOM 284 CA GLU A 17 -15.278 3.640 -16.233 1.00 0.00 C ATOM 285 C GLU A 17 -14.909 2.909 -14.957 1.00 0.00 C ATOM 286 O GLU A 17 -15.316 3.297 -13.863 1.00 0.00 O ATOM 287 CB GLU A 17 -16.726 4.120 -16.153 1.00 0.00 C ATOM 288 CG GLU A 17 -17.734 2.979 -16.122 1.00 0.00 C ATOM 289 CD GLU A 17 -19.167 3.455 -16.104 1.00 0.00 C ATOM 290 OE1 GLU A 17 -19.654 3.912 -17.159 1.00 0.00 O ATOM 291 OE2 GLU A 17 -19.821 3.352 -15.048 1.00 0.00 O ATOM 0 H GLU A 17 -15.395 1.822 -17.264 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.611 4.496 -16.337 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.851 4.731 -15.259 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.938 4.760 -17.009 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.580 2.342 -16.993 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -17.551 2.364 -15.241 1.00 0.00 H new ATOM 298 N ALA A 18 -14.108 1.878 -15.100 1.00 0.00 N ATOM 299 CA ALA A 18 -13.759 1.035 -13.964 1.00 0.00 C ATOM 300 C ALA A 18 -12.365 0.428 -14.106 1.00 0.00 C ATOM 301 O ALA A 18 -12.200 -0.638 -14.694 1.00 0.00 O ATOM 302 CB ALA A 18 -14.796 -0.061 -13.793 1.00 0.00 C ATOM 0 H ALA A 18 -13.684 1.598 -15.985 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.748 1.667 -13.076 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.527 -0.686 -12.942 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -15.774 0.387 -13.619 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.832 -0.672 -14.695 1.00 0.00 H new ATOM 308 N PRO A 19 -11.342 1.137 -13.616 1.00 0.00 N ATOM 309 CA PRO A 19 -10.000 0.602 -13.470 1.00 0.00 C ATOM 310 C PRO A 19 -9.767 0.098 -12.048 1.00 0.00 C ATOM 311 O PRO A 19 -10.375 0.602 -11.102 1.00 0.00 O ATOM 312 CB PRO A 19 -9.135 1.827 -13.763 1.00 0.00 C ATOM 313 CG PRO A 19 -9.961 3.008 -13.335 1.00 0.00 C ATOM 314 CD PRO A 19 -11.394 2.539 -13.187 1.00 0.00 C ATOM 0 HA PRO A 19 -9.792 -0.249 -14.118 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.195 1.785 -13.213 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.883 1.886 -14.822 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.591 3.412 -12.392 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.895 3.808 -14.072 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.742 2.631 -12.158 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.074 3.123 -13.807 1.00 0.00 H new ATOM 322 N GLU A 20 -8.909 -0.902 -11.886 1.00 0.00 N ATOM 323 CA GLU A 20 -8.611 -1.410 -10.553 1.00 0.00 C ATOM 324 C GLU A 20 -7.804 -0.390 -9.766 1.00 0.00 C ATOM 325 O GLU A 20 -6.583 -0.289 -9.902 1.00 0.00 O ATOM 326 CB GLU A 20 -7.896 -2.760 -10.613 1.00 0.00 C ATOM 327 CG GLU A 20 -8.822 -3.899 -11.007 1.00 0.00 C ATOM 328 CD GLU A 20 -10.027 -3.992 -10.091 1.00 0.00 C ATOM 329 OE1 GLU A 20 -11.027 -3.284 -10.338 1.00 0.00 O ATOM 330 OE2 GLU A 20 -9.978 -4.758 -9.106 1.00 0.00 O ATOM 0 H GLU A 20 -8.415 -1.370 -12.646 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.556 -1.572 -10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.076 -2.700 -11.328 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.455 -2.976 -9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.157 -3.755 -12.034 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.272 -4.840 -10.980 1.00 0.00 H new ATOM 337 N THR A 21 -8.513 0.388 -8.966 1.00 0.00 N ATOM 338 CA THR A 21 -7.921 1.484 -8.230 1.00 0.00 C ATOM 339 C THR A 21 -8.477 1.539 -6.816 1.00 0.00 C ATOM 340 O THR A 21 -9.667 1.312 -6.601 1.00 0.00 O ATOM 341 CB THR A 21 -8.200 2.818 -8.945 1.00 0.00 C ATOM 342 OG1 THR A 21 -7.664 2.764 -10.274 1.00 0.00 O ATOM 343 CG2 THR A 21 -7.594 3.990 -8.179 1.00 0.00 C ATOM 0 H THR A 21 -9.515 0.275 -8.811 1.00 0.00 H new ATOM 0 HA THR A 21 -6.844 1.320 -8.181 1.00 0.00 H new ATOM 0 HB THR A 21 -9.278 2.972 -8.990 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.344 2.416 -10.887 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.807 4.919 -8.708 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.026 4.034 -7.179 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.515 3.855 -8.102 1.00 0.00 H new ATOM 351 N VAL A 22 -7.610 1.815 -5.854 1.00 0.00 N ATOM 352 CA VAL A 22 -8.029 1.961 -4.472 1.00 0.00 C ATOM 353 C VAL A 22 -7.835 3.402 -4.018 1.00 0.00 C ATOM 354 O VAL A 22 -6.781 3.999 -4.243 1.00 0.00 O ATOM 355 CB VAL A 22 -7.247 1.011 -3.537 1.00 0.00 C ATOM 356 CG1 VAL A 22 -7.739 1.127 -2.099 1.00 0.00 C ATOM 357 CG2 VAL A 22 -7.344 -0.434 -4.022 1.00 0.00 C ATOM 0 H VAL A 22 -6.610 1.942 -6.007 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.085 1.697 -4.416 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.199 1.311 -3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.171 0.447 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.602 2.150 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.796 0.867 -2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.785 -1.083 -3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.389 -0.743 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.927 -0.510 -5.026 1.00 0.00 H new ATOM 367 N VAL A 23 -8.871 3.961 -3.410 1.00 0.00 N ATOM 368 CA VAL A 23 -8.808 5.313 -2.884 1.00 0.00 C ATOM 369 C VAL A 23 -8.252 5.293 -1.464 1.00 0.00 C ATOM 370 O VAL A 23 -8.780 4.601 -0.593 1.00 0.00 O ATOM 371 CB VAL A 23 -10.200 5.984 -2.882 1.00 0.00 C ATOM 372 CG1 VAL A 23 -10.108 7.422 -2.386 1.00 0.00 C ATOM 373 CG2 VAL A 23 -10.832 5.926 -4.271 1.00 0.00 C ATOM 0 H VAL A 23 -9.768 3.496 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.150 5.892 -3.532 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.842 5.431 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.100 7.874 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.712 7.432 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.446 7.990 -3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.811 6.404 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.192 6.447 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.944 4.886 -4.577 1.00 0.00 H new ATOM 383 N VAL A 24 -7.185 6.037 -1.237 1.00 0.00 N ATOM 384 CA VAL A 24 -6.522 6.032 0.058 1.00 0.00 C ATOM 385 C VAL A 24 -6.523 7.416 0.693 1.00 0.00 C ATOM 386 O VAL A 24 -6.602 8.436 0.005 1.00 0.00 O ATOM 387 CB VAL A 24 -5.073 5.515 -0.052 1.00 0.00 C ATOM 388 CG1 VAL A 24 -5.057 4.069 -0.525 1.00 0.00 C ATOM 389 CG2 VAL A 24 -4.261 6.391 -0.989 1.00 0.00 C ATOM 0 H VAL A 24 -6.758 6.652 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.089 5.355 0.697 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.618 5.559 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.027 3.721 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.601 3.448 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.532 4.001 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.242 6.009 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.714 6.382 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.243 7.412 -0.608 1.00 0.00 H new ATOM 399 N SER A 25 -6.459 7.433 2.014 1.00 0.00 N ATOM 400 CA SER A 25 -6.382 8.674 2.760 1.00 0.00 C ATOM 401 C SER A 25 -4.945 8.897 3.220 1.00 0.00 C ATOM 402 O SER A 25 -4.613 9.925 3.809 1.00 0.00 O ATOM 403 CB SER A 25 -7.331 8.619 3.960 1.00 0.00 C ATOM 404 OG SER A 25 -7.536 9.902 4.522 1.00 0.00 O ATOM 0 H SER A 25 -6.459 6.594 2.594 1.00 0.00 H new ATOM 0 HA SER A 25 -6.682 9.506 2.123 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.288 8.200 3.649 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.922 7.950 4.718 1.00 0.00 H new ATOM 0 HG SER A 25 -8.129 10.423 3.941 1.00 0.00 H new ATOM 410 N THR A 26 -4.093 7.920 2.936 1.00 0.00 N ATOM 411 CA THR A 26 -2.698 7.982 3.333 1.00 0.00 C ATOM 412 C THR A 26 -1.792 7.937 2.105 1.00 0.00 C ATOM 413 O THR A 26 -1.970 7.093 1.226 1.00 0.00 O ATOM 414 CB THR A 26 -2.346 6.815 4.277 1.00 0.00 C ATOM 415 OG1 THR A 26 -3.409 6.615 5.220 1.00 0.00 O ATOM 416 CG2 THR A 26 -1.054 7.098 5.030 1.00 0.00 C ATOM 0 H THR A 26 -4.349 7.072 2.429 1.00 0.00 H new ATOM 0 HA THR A 26 -2.540 8.922 3.861 1.00 0.00 H new ATOM 0 HB THR A 26 -2.212 5.917 3.674 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.182 5.871 5.816 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.826 6.261 5.690 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.239 7.231 4.318 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.170 8.006 5.623 1.00 0.00 H new ATOM 424 N TRP A 27 -0.837 8.862 2.040 1.00 0.00 N ATOM 425 CA TRP A 27 0.115 8.911 0.933 1.00 0.00 C ATOM 426 C TRP A 27 1.031 7.691 0.954 1.00 0.00 C ATOM 427 O TRP A 27 1.520 7.252 -0.086 1.00 0.00 O ATOM 428 CB TRP A 27 0.944 10.193 0.998 1.00 0.00 C ATOM 429 CG TRP A 27 0.122 11.441 0.865 1.00 0.00 C ATOM 430 CD1 TRP A 27 -0.316 12.245 1.876 1.00 0.00 C ATOM 431 CD2 TRP A 27 -0.364 12.026 -0.352 1.00 0.00 C ATOM 432 NE1 TRP A 27 -1.043 13.291 1.366 1.00 0.00 N ATOM 433 CE2 TRP A 27 -1.089 13.180 0.000 1.00 0.00 C ATOM 434 CE3 TRP A 27 -0.258 11.688 -1.709 1.00 0.00 C ATOM 435 CZ2 TRP A 27 -1.705 13.995 -0.951 1.00 0.00 C ATOM 436 CZ3 TRP A 27 -0.870 12.498 -2.648 1.00 0.00 C ATOM 437 CH2 TRP A 27 -1.584 13.639 -2.265 1.00 0.00 C ATOM 0 H TRP A 27 -0.702 9.589 2.742 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.448 8.904 -0.000 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.483 10.221 1.945 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.692 10.174 0.206 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -0.119 12.082 2.925 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.479 14.032 1.915 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.292 10.810 -2.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.258 14.876 -0.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.796 12.246 -3.695 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -2.049 14.251 -3.024 1.00 0.00 H new ATOM 448 N LYS A 28 1.273 7.159 2.144 1.00 0.00 N ATOM 449 CA LYS A 28 2.000 5.909 2.282 1.00 0.00 C ATOM 450 C LYS A 28 1.020 4.763 2.434 1.00 0.00 C ATOM 451 O LYS A 28 0.295 4.680 3.425 1.00 0.00 O ATOM 452 CB LYS A 28 2.946 5.943 3.484 1.00 0.00 C ATOM 453 CG LYS A 28 4.207 6.759 3.250 1.00 0.00 C ATOM 454 CD LYS A 28 5.164 6.639 4.428 1.00 0.00 C ATOM 455 CE LYS A 28 6.508 7.283 4.135 1.00 0.00 C ATOM 456 NZ LYS A 28 7.442 7.139 5.283 1.00 0.00 N ATOM 0 H LYS A 28 0.976 7.575 3.027 1.00 0.00 H new ATOM 0 HA LYS A 28 2.601 5.765 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.413 6.353 4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.228 4.922 3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.701 6.418 2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.943 7.805 3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.720 7.109 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.311 5.586 4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.946 6.826 3.248 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.365 8.340 3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.350 7.589 5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.033 7.597 6.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.597 6.130 5.480 1.00 0.00 H new ATOM 470 N VAL A 29 0.989 3.882 1.449 1.00 0.00 N ATOM 471 CA VAL A 29 0.041 2.782 1.462 1.00 0.00 C ATOM 472 C VAL A 29 0.766 1.456 1.612 1.00 0.00 C ATOM 473 O VAL A 29 1.910 1.306 1.180 1.00 0.00 O ATOM 474 CB VAL A 29 -0.816 2.730 0.176 1.00 0.00 C ATOM 475 CG1 VAL A 29 -2.098 1.955 0.413 1.00 0.00 C ATOM 476 CG2 VAL A 29 -1.123 4.124 -0.341 1.00 0.00 C ATOM 0 H VAL A 29 1.604 3.906 0.636 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.619 2.953 2.312 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.235 2.211 -0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.684 1.932 -0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.857 0.936 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.676 2.439 1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.727 4.052 -1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.672 4.681 0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.191 4.642 -0.567 1.00 0.00 H new ATOM 486 N ALA A 30 0.089 0.503 2.214 1.00 0.00 N ATOM 487 CA ALA A 30 0.633 -0.828 2.386 1.00 0.00 C ATOM 488 C ALA A 30 -0.043 -1.784 1.418 1.00 0.00 C ATOM 489 O ALA A 30 -1.199 -2.168 1.612 1.00 0.00 O ATOM 490 CB ALA A 30 0.462 -1.298 3.821 1.00 0.00 C ATOM 0 H ALA A 30 -0.849 0.626 2.596 1.00 0.00 H new ATOM 0 HA ALA A 30 1.701 -0.806 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.878 -2.300 3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.984 -0.616 4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.598 -1.316 4.074 1.00 0.00 H new ATOM 496 N CYS A 31 0.670 -2.147 0.370 1.00 0.00 N ATOM 497 CA CYS A 31 0.114 -2.984 -0.673 1.00 0.00 C ATOM 498 C CYS A 31 0.411 -4.448 -0.375 1.00 0.00 C ATOM 499 O CYS A 31 1.381 -4.756 0.313 1.00 0.00 O ATOM 500 CB CYS A 31 0.688 -2.577 -2.029 1.00 0.00 C ATOM 501 SG CYS A 31 -0.206 -3.255 -3.445 1.00 0.00 S ATOM 0 H CYS A 31 1.641 -1.873 0.219 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.967 -2.852 -0.705 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.687 -1.489 -2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.728 -2.899 -2.082 1.00 0.00 H new ATOM 0 HG CYS A 31 0.550 -4.112 -4.066 1.00 0.00 H new ATOM 507 N ASP A 32 -0.412 -5.339 -0.918 1.00 0.00 N ATOM 508 CA ASP A 32 -0.338 -6.758 -0.606 1.00 0.00 C ATOM 509 C ASP A 32 -1.261 -7.520 -1.539 1.00 0.00 C ATOM 510 O ASP A 32 -2.431 -7.739 -1.233 1.00 0.00 O ATOM 511 CB ASP A 32 -0.734 -7.030 0.855 1.00 0.00 C ATOM 512 CG ASP A 32 -0.511 -8.479 1.273 1.00 0.00 C ATOM 513 OD1 ASP A 32 -1.277 -9.367 0.833 1.00 0.00 O ATOM 514 OD2 ASP A 32 0.419 -8.734 2.067 1.00 0.00 O ATOM 0 H ASP A 32 -1.146 -5.097 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 32 0.691 -7.091 -0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.158 -6.376 1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.785 -6.775 0.994 1.00 0.00 H new ATOM 519 N GLY A 33 -0.759 -7.826 -2.714 1.00 0.00 N ATOM 520 CA GLY A 33 -1.497 -8.667 -3.633 1.00 0.00 C ATOM 521 C GLY A 33 -2.124 -7.879 -4.758 1.00 0.00 C ATOM 522 O GLY A 33 -1.628 -6.813 -5.127 1.00 0.00 O ATOM 0 H GLY A 33 0.149 -7.509 -3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.828 -9.420 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.276 -9.200 -3.088 1.00 0.00 H new ATOM 526 N GLY A 34 -3.205 -8.400 -5.309 1.00 0.00 N ATOM 527 CA GLY A 34 -3.886 -7.724 -6.390 1.00 0.00 C ATOM 528 C GLY A 34 -5.061 -8.520 -6.907 1.00 0.00 C ATOM 529 O GLY A 34 -5.744 -9.201 -6.138 1.00 0.00 O ATOM 0 H GLY A 34 -3.626 -9.285 -5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.232 -6.749 -6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.184 -7.544 -7.204 1.00 0.00 H new ATOM 533 N GLU A 35 -5.281 -8.451 -8.210 1.00 0.00 N ATOM 534 CA GLU A 35 -6.393 -9.138 -8.841 1.00 0.00 C ATOM 535 C GLU A 35 -5.855 -10.193 -9.798 1.00 0.00 C ATOM 536 O GLU A 35 -4.655 -10.227 -10.081 1.00 0.00 O ATOM 537 CB GLU A 35 -7.264 -8.126 -9.589 1.00 0.00 C ATOM 538 CG GLU A 35 -8.765 -8.314 -9.396 1.00 0.00 C ATOM 539 CD GLU A 35 -9.348 -9.418 -10.252 1.00 0.00 C ATOM 540 OE1 GLU A 35 -9.749 -9.133 -11.398 1.00 0.00 O ATOM 541 OE2 GLU A 35 -9.415 -10.574 -9.782 1.00 0.00 O ATOM 0 H GLU A 35 -4.697 -7.920 -8.856 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.004 -9.628 -8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.992 -7.122 -9.263 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.037 -8.188 -10.653 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.964 -8.534 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.274 -7.378 -9.627 1.00 0.00 H new ATOM 548 N GLY A 36 -6.738 -11.038 -10.295 1.00 0.00 N ATOM 549 CA GLY A 36 -6.326 -12.116 -11.173 1.00 0.00 C ATOM 550 C GLY A 36 -5.344 -13.050 -10.497 1.00 0.00 C ATOM 551 O GLY A 36 -5.617 -13.575 -9.414 1.00 0.00 O ATOM 0 H GLY A 36 -7.740 -10.999 -10.107 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.203 -12.680 -11.492 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.871 -11.699 -12.071 1.00 0.00 H new ATOM 555 N ALA A 37 -4.199 -13.251 -11.130 1.00 0.00 N ATOM 556 CA ALA A 37 -3.147 -14.087 -10.563 1.00 0.00 C ATOM 557 C ALA A 37 -1.997 -13.230 -10.046 1.00 0.00 C ATOM 558 O ALA A 37 -0.922 -13.735 -9.720 1.00 0.00 O ATOM 559 CB ALA A 37 -2.646 -15.082 -11.603 1.00 0.00 C ATOM 0 H ALA A 37 -3.972 -12.847 -12.039 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.563 -14.641 -9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.861 -15.700 -11.167 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.471 -15.717 -11.926 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.247 -14.541 -12.461 1.00 0.00 H new ATOM 565 N LEU A 38 -2.232 -11.930 -9.967 1.00 0.00 N ATOM 566 CA LEU A 38 -1.218 -10.996 -9.494 1.00 0.00 C ATOM 567 C LEU A 38 -1.212 -10.945 -7.973 1.00 0.00 C ATOM 568 O LEU A 38 -2.227 -10.616 -7.352 1.00 0.00 O ATOM 569 CB LEU A 38 -1.480 -9.597 -10.053 1.00 0.00 C ATOM 570 CG LEU A 38 -1.474 -9.486 -11.579 1.00 0.00 C ATOM 571 CD1 LEU A 38 -1.857 -8.079 -12.010 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.107 -9.857 -12.138 1.00 0.00 C ATOM 0 H LEU A 38 -3.118 -11.495 -10.225 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.245 -11.343 -9.843 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.446 -9.253 -9.685 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.726 -8.918 -9.654 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.210 -10.185 -11.977 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.848 -8.017 -13.098 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.856 -7.845 -11.641 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.142 -7.366 -11.600 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.123 -9.772 -13.225 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.647 -9.183 -11.732 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.135 -10.882 -11.858 1.00 0.00 H new ATOM 584 N GLY A 39 -0.076 -11.276 -7.378 1.00 0.00 N ATOM 585 CA GLY A 39 0.042 -11.251 -5.936 1.00 0.00 C ATOM 586 C GLY A 39 1.469 -11.018 -5.488 1.00 0.00 C ATOM 587 O GLY A 39 2.415 -11.489 -6.124 1.00 0.00 O ATOM 0 H GLY A 39 0.770 -11.563 -7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.597 -10.465 -5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.317 -12.195 -5.526 1.00 0.00 H new ATOM 591 N HIS A 40 1.623 -10.301 -4.388 1.00 0.00 N ATOM 592 CA HIS A 40 2.937 -9.979 -3.854 1.00 0.00 C ATOM 593 C HIS A 40 2.831 -9.708 -2.354 1.00 0.00 C ATOM 594 O HIS A 40 1.749 -9.384 -1.860 1.00 0.00 O ATOM 595 CB HIS A 40 3.541 -8.767 -4.589 1.00 0.00 C ATOM 596 CG HIS A 40 2.817 -7.469 -4.375 1.00 0.00 C ATOM 597 ND1 HIS A 40 3.013 -6.661 -3.279 1.00 0.00 N ATOM 598 CD2 HIS A 40 1.909 -6.824 -5.156 1.00 0.00 C ATOM 599 CE1 HIS A 40 2.247 -5.579 -3.420 1.00 0.00 C ATOM 600 NE2 HIS A 40 1.555 -5.628 -4.542 1.00 0.00 N ATOM 0 H HIS A 40 0.847 -9.927 -3.842 1.00 0.00 H new ATOM 0 HA HIS A 40 3.601 -10.829 -4.011 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.576 -8.646 -4.268 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.561 -8.982 -5.657 1.00 0.00 H new ATOM 0 HD1 HIS A 40 3.636 -6.856 -2.495 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.525 -7.183 -6.100 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.199 -4.768 -2.708 1.00 0.00 H new ATOM 608 N PRO A 41 3.940 -9.853 -1.607 1.00 0.00 N ATOM 609 CA PRO A 41 3.953 -9.611 -0.157 1.00 0.00 C ATOM 610 C PRO A 41 3.717 -8.140 0.188 1.00 0.00 C ATOM 611 O PRO A 41 3.712 -7.280 -0.697 1.00 0.00 O ATOM 612 CB PRO A 41 5.362 -10.041 0.276 1.00 0.00 C ATOM 613 CG PRO A 41 5.907 -10.832 -0.867 1.00 0.00 C ATOM 614 CD PRO A 41 5.257 -10.280 -2.099 1.00 0.00 C ATOM 0 HA PRO A 41 3.156 -10.157 0.348 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.989 -9.175 0.488 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.327 -10.640 1.186 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.992 -10.740 -0.923 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.683 -11.892 -0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.823 -9.447 -2.516 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.172 -11.032 -2.883 1.00 0.00 H new ATOM 622 N ARG A 42 3.531 -7.860 1.474 1.00 0.00 N ATOM 623 CA ARG A 42 3.264 -6.504 1.940 1.00 0.00 C ATOM 624 C ARG A 42 4.435 -5.570 1.652 1.00 0.00 C ATOM 625 O ARG A 42 5.560 -5.807 2.098 1.00 0.00 O ATOM 626 CB ARG A 42 2.969 -6.502 3.441 1.00 0.00 C ATOM 627 CG ARG A 42 2.678 -5.116 4.004 1.00 0.00 C ATOM 628 CD ARG A 42 2.398 -5.166 5.496 1.00 0.00 C ATOM 629 NE ARG A 42 1.292 -6.065 5.807 1.00 0.00 N ATOM 630 CZ ARG A 42 1.188 -6.757 6.938 1.00 0.00 C ATOM 631 NH1 ARG A 42 2.093 -6.621 7.900 1.00 0.00 N ATOM 632 NH2 ARG A 42 0.172 -7.585 7.108 1.00 0.00 N ATOM 0 H ARG A 42 3.561 -8.559 2.216 1.00 0.00 H new ATOM 0 HA ARG A 42 2.392 -6.140 1.396 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.115 -7.151 3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.821 -6.929 3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.528 -4.460 3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.821 -4.685 3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.293 -5.494 6.024 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.165 -4.164 5.856 1.00 0.00 H new ATOM 0 HE ARG A 42 0.552 -6.169 5.113 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.877 -5.981 7.775 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.004 -7.156 8.764 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.528 -7.691 6.374 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.088 -8.118 7.974 1.00 0.00 H new ATOM 646 N VAL A 43 4.162 -4.512 0.900 1.00 0.00 N ATOM 647 CA VAL A 43 5.156 -3.484 0.622 1.00 0.00 C ATOM 648 C VAL A 43 4.567 -2.117 0.937 1.00 0.00 C ATOM 649 O VAL A 43 3.352 -1.934 0.886 1.00 0.00 O ATOM 650 CB VAL A 43 5.615 -3.488 -0.855 1.00 0.00 C ATOM 651 CG1 VAL A 43 6.903 -2.694 -1.029 1.00 0.00 C ATOM 652 CG2 VAL A 43 5.779 -4.903 -1.388 1.00 0.00 C ATOM 0 H VAL A 43 3.253 -4.343 0.469 1.00 0.00 H new ATOM 0 HA VAL A 43 6.023 -3.697 1.247 1.00 0.00 H new ATOM 0 HB VAL A 43 4.832 -3.004 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.203 -2.713 -2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.739 -1.662 -0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.689 -3.137 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.102 -4.865 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.526 -5.431 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.826 -5.429 -1.323 1.00 0.00 H new ATOM 662 N TRP A 44 5.425 -1.170 1.252 1.00 0.00 N ATOM 663 CA TRP A 44 5.003 0.182 1.547 1.00 0.00 C ATOM 664 C TRP A 44 5.366 1.108 0.396 1.00 0.00 C ATOM 665 O TRP A 44 6.537 1.246 0.042 1.00 0.00 O ATOM 666 CB TRP A 44 5.649 0.665 2.844 1.00 0.00 C ATOM 667 CG TRP A 44 4.949 0.173 4.075 1.00 0.00 C ATOM 668 CD1 TRP A 44 5.249 -0.943 4.803 1.00 0.00 C ATOM 669 CD2 TRP A 44 3.828 0.785 4.722 1.00 0.00 C ATOM 670 NE1 TRP A 44 4.382 -1.059 5.866 1.00 0.00 N ATOM 671 CE2 TRP A 44 3.499 -0.012 5.834 1.00 0.00 C ATOM 672 CE3 TRP A 44 3.073 1.929 4.465 1.00 0.00 C ATOM 673 CZ2 TRP A 44 2.448 0.303 6.690 1.00 0.00 C ATOM 674 CZ3 TRP A 44 2.028 2.242 5.316 1.00 0.00 C ATOM 675 CH2 TRP A 44 1.722 1.431 6.414 1.00 0.00 C ATOM 0 H TRP A 44 6.433 -1.316 1.311 1.00 0.00 H new ATOM 0 HA TRP A 44 3.920 0.193 1.673 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.688 0.335 2.869 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.660 1.755 2.852 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.049 -1.633 4.578 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.395 -1.803 6.564 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.300 2.559 3.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.213 -0.319 7.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.438 3.127 5.129 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.897 1.700 7.057 1.00 0.00 H new ATOM 686 N LEU A 45 4.356 1.725 -0.194 1.00 0.00 N ATOM 687 CA LEU A 45 4.564 2.618 -1.311 1.00 0.00 C ATOM 688 C LEU A 45 4.276 4.052 -0.898 1.00 0.00 C ATOM 689 O LEU A 45 3.570 4.297 0.080 1.00 0.00 O ATOM 690 CB LEU A 45 3.662 2.226 -2.477 1.00 0.00 C ATOM 691 CG LEU A 45 3.821 0.788 -2.979 1.00 0.00 C ATOM 692 CD1 LEU A 45 2.839 0.509 -4.107 1.00 0.00 C ATOM 693 CD2 LEU A 45 5.251 0.535 -3.441 1.00 0.00 C ATOM 0 H LEU A 45 3.381 1.620 0.087 1.00 0.00 H new ATOM 0 HA LEU A 45 5.605 2.541 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.625 2.375 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.855 2.906 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 45 3.603 0.109 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.964 -0.517 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.820 0.648 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.028 1.196 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.343 -0.492 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.498 1.221 -4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.936 0.695 -2.609 1.00 0.00 H new ATOM 705 N SER A 46 4.818 4.990 -1.655 1.00 0.00 N ATOM 706 CA SER A 46 4.623 6.402 -1.381 1.00 0.00 C ATOM 707 C SER A 46 4.044 7.090 -2.606 1.00 0.00 C ATOM 708 O SER A 46 4.638 7.056 -3.684 1.00 0.00 O ATOM 709 CB SER A 46 5.950 7.054 -0.978 1.00 0.00 C ATOM 710 OG SER A 46 5.785 8.438 -0.705 1.00 0.00 O ATOM 0 H SER A 46 5.400 4.797 -2.470 1.00 0.00 H new ATOM 0 HA SER A 46 3.922 6.509 -0.553 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.351 6.553 -0.097 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.679 6.924 -1.778 1.00 0.00 H new ATOM 0 HG SER A 46 6.648 8.826 -0.449 1.00 0.00 H new ATOM 716 N ILE A 47 2.879 7.691 -2.442 1.00 0.00 N ATOM 717 CA ILE A 47 2.227 8.397 -3.529 1.00 0.00 C ATOM 718 C ILE A 47 2.825 9.791 -3.692 1.00 0.00 C ATOM 719 O ILE A 47 2.829 10.588 -2.751 1.00 0.00 O ATOM 720 CB ILE A 47 0.706 8.518 -3.286 1.00 0.00 C ATOM 721 CG1 ILE A 47 0.084 7.132 -3.113 1.00 0.00 C ATOM 722 CG2 ILE A 47 0.038 9.259 -4.438 1.00 0.00 C ATOM 723 CD1 ILE A 47 -1.407 7.160 -2.866 1.00 0.00 C ATOM 0 H ILE A 47 2.364 7.704 -1.562 1.00 0.00 H new ATOM 0 HA ILE A 47 2.390 7.821 -4.440 1.00 0.00 H new ATOM 0 HB ILE A 47 0.547 9.088 -2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.284 6.540 -4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.572 6.626 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.033 9.335 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.463 10.259 -4.523 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.205 8.714 -5.367 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.776 6.141 -2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.615 7.724 -1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.907 7.636 -3.710 1.00 0.00 H new ATOM 735 N PRO A 48 3.360 10.096 -4.886 1.00 0.00 N ATOM 736 CA PRO A 48 3.892 11.425 -5.198 1.00 0.00 C ATOM 737 C PRO A 48 2.808 12.494 -5.090 1.00 0.00 C ATOM 738 O PRO A 48 1.767 12.413 -5.751 1.00 0.00 O ATOM 739 CB PRO A 48 4.390 11.294 -6.639 1.00 0.00 C ATOM 740 CG PRO A 48 4.535 9.830 -6.873 1.00 0.00 C ATOM 741 CD PRO A 48 3.493 9.171 -6.019 1.00 0.00 C ATOM 0 HA PRO A 48 4.677 11.732 -4.507 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.683 11.736 -7.341 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.340 11.810 -6.775 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.389 9.586 -7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.534 9.489 -6.603 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.551 9.050 -6.554 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.806 8.178 -5.695 1.00 0.00 H new ATOM 749 N HIS A 49 3.071 13.503 -4.275 1.00 0.00 N ATOM 750 CA HIS A 49 2.062 14.497 -3.913 1.00 0.00 C ATOM 751 C HIS A 49 1.770 15.414 -5.092 1.00 0.00 C ATOM 752 O HIS A 49 0.669 15.948 -5.230 1.00 0.00 O ATOM 753 CB HIS A 49 2.537 15.321 -2.709 1.00 0.00 C ATOM 754 CG HIS A 49 2.945 14.490 -1.523 1.00 0.00 C ATOM 755 ND1 HIS A 49 4.009 13.666 -1.340 1.00 0.00 N flip ATOM 756 CD2 HIS A 49 2.237 14.453 -0.343 1.00 0.00 C flip ATOM 757 CE1 HIS A 49 3.919 13.155 -0.071 1.00 0.00 C flip ATOM 758 NE2 HIS A 49 2.845 13.648 0.508 1.00 0.00 N flip ATOM 0 H HIS A 49 3.983 13.659 -3.846 1.00 0.00 H new ATOM 0 HA HIS A 49 1.144 13.975 -3.643 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.381 15.939 -3.015 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.738 15.999 -2.408 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.326 14.998 -0.145 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.615 12.462 0.379 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.534 13.442 1.457 1.00 0.00 H new ATOM 767 N GLU A 50 2.766 15.580 -5.943 1.00 0.00 N ATOM 768 CA GLU A 50 2.641 16.416 -7.128 1.00 0.00 C ATOM 769 C GLU A 50 2.212 15.597 -8.338 1.00 0.00 C ATOM 770 O GLU A 50 2.149 16.110 -9.457 1.00 0.00 O ATOM 771 CB GLU A 50 3.955 17.150 -7.430 1.00 0.00 C ATOM 772 CG GLU A 50 5.220 16.323 -7.225 1.00 0.00 C ATOM 773 CD GLU A 50 5.566 16.128 -5.761 1.00 0.00 C ATOM 774 OE1 GLU A 50 6.037 17.091 -5.124 1.00 0.00 O ATOM 775 OE2 GLU A 50 5.337 15.015 -5.235 1.00 0.00 O ATOM 0 H GLU A 50 3.681 15.142 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 50 1.869 17.157 -6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.930 17.497 -8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.012 18.036 -6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.091 15.348 -7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.054 16.813 -7.728 1.00 0.00 H new ATOM 782 N THR A 51 1.912 14.327 -8.113 1.00 0.00 N ATOM 783 CA THR A 51 1.470 13.454 -9.186 1.00 0.00 C ATOM 784 C THR A 51 0.030 13.000 -8.948 1.00 0.00 C ATOM 785 O THR A 51 -0.766 12.907 -9.884 1.00 0.00 O ATOM 786 CB THR A 51 2.398 12.235 -9.320 1.00 0.00 C ATOM 787 OG1 THR A 51 3.764 12.675 -9.340 1.00 0.00 O ATOM 788 CG2 THR A 51 2.101 11.462 -10.596 1.00 0.00 C ATOM 0 H THR A 51 1.967 13.880 -7.198 1.00 0.00 H new ATOM 0 HA THR A 51 1.510 14.018 -10.118 1.00 0.00 H new ATOM 0 HB THR A 51 2.228 11.577 -8.468 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.359 11.897 -9.311 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.771 10.605 -10.667 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.068 11.115 -10.579 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.251 12.112 -11.458 1.00 0.00 H new ATOM 796 N GLY A 52 -0.300 12.719 -7.692 1.00 0.00 N ATOM 797 CA GLY A 52 -1.676 12.426 -7.333 1.00 0.00 C ATOM 798 C GLY A 52 -1.927 10.958 -7.068 1.00 0.00 C ATOM 799 O GLY A 52 -2.705 10.606 -6.180 1.00 0.00 O ATOM 0 H GLY A 52 0.361 12.689 -6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.942 12.999 -6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.333 12.760 -8.136 1.00 0.00 H new ATOM 803 N PHE A 53 -1.280 10.097 -7.837 1.00 0.00 N ATOM 804 CA PHE A 53 -1.472 8.663 -7.701 1.00 0.00 C ATOM 805 C PHE A 53 -0.194 7.909 -8.039 1.00 0.00 C ATOM 806 O PHE A 53 0.742 8.477 -8.610 1.00 0.00 O ATOM 807 CB PHE A 53 -2.625 8.187 -8.597 1.00 0.00 C ATOM 808 CG PHE A 53 -2.506 8.596 -10.042 1.00 0.00 C ATOM 809 CD1 PHE A 53 -3.046 9.794 -10.486 1.00 0.00 C ATOM 810 CD2 PHE A 53 -1.857 7.782 -10.959 1.00 0.00 C ATOM 811 CE1 PHE A 53 -2.944 10.170 -11.811 1.00 0.00 C ATOM 812 CE2 PHE A 53 -1.753 8.154 -12.286 1.00 0.00 C ATOM 813 CZ PHE A 53 -2.296 9.348 -12.712 1.00 0.00 C ATOM 0 H PHE A 53 -0.616 10.367 -8.563 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.728 8.453 -6.662 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.684 7.100 -8.544 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.562 8.576 -8.199 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.553 10.442 -9.786 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.428 6.846 -10.632 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.370 11.105 -12.142 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.247 7.510 -12.989 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.215 9.640 -13.749 1.00 0.00 H new ATOM 823 N VAL A 54 -0.163 6.635 -7.684 1.00 0.00 N ATOM 824 CA VAL A 54 0.985 5.786 -7.961 1.00 0.00 C ATOM 825 C VAL A 54 0.521 4.374 -8.314 1.00 0.00 C ATOM 826 O VAL A 54 -0.485 3.888 -7.786 1.00 0.00 O ATOM 827 CB VAL A 54 1.966 5.741 -6.759 1.00 0.00 C ATOM 828 CG1 VAL A 54 1.348 5.028 -5.566 1.00 0.00 C ATOM 829 CG2 VAL A 54 3.284 5.091 -7.155 1.00 0.00 C ATOM 0 H VAL A 54 -0.926 6.163 -7.199 1.00 0.00 H new ATOM 0 HA VAL A 54 1.518 6.214 -8.810 1.00 0.00 H new ATOM 0 HB VAL A 54 2.171 6.770 -6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.061 5.014 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.445 5.553 -5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.095 4.005 -5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.953 5.072 -6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.100 4.072 -7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.744 5.663 -7.960 1.00 0.00 H new ATOM 839 N GLU A 55 1.226 3.741 -9.238 1.00 0.00 N ATOM 840 CA GLU A 55 0.918 2.380 -9.635 1.00 0.00 C ATOM 841 C GLU A 55 1.858 1.415 -8.925 1.00 0.00 C ATOM 842 O GLU A 55 2.998 1.767 -8.616 1.00 0.00 O ATOM 843 CB GLU A 55 1.048 2.205 -11.156 1.00 0.00 C ATOM 844 CG GLU A 55 0.317 3.259 -11.979 1.00 0.00 C ATOM 845 CD GLU A 55 1.172 4.478 -12.284 1.00 0.00 C ATOM 846 OE1 GLU A 55 1.182 5.430 -11.474 1.00 0.00 O ATOM 847 OE2 GLU A 55 1.837 4.491 -13.341 1.00 0.00 O ATOM 0 H GLU A 55 2.020 4.153 -9.729 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.113 2.165 -9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.105 2.223 -11.422 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.668 1.221 -11.429 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.016 2.813 -12.916 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.577 3.575 -11.441 1.00 0.00 H new ATOM 854 N CYS A 56 1.379 0.212 -8.657 1.00 0.00 N ATOM 855 CA CYS A 56 2.207 -0.807 -8.034 1.00 0.00 C ATOM 856 C CYS A 56 3.195 -1.362 -9.055 1.00 0.00 C ATOM 857 O CYS A 56 2.837 -1.601 -10.208 1.00 0.00 O ATOM 858 CB CYS A 56 1.340 -1.932 -7.460 1.00 0.00 C ATOM 859 SG CYS A 56 2.278 -3.257 -6.653 1.00 0.00 S ATOM 0 H CYS A 56 0.424 -0.083 -8.860 1.00 0.00 H new ATOM 0 HA CYS A 56 2.762 -0.356 -7.212 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.642 -1.506 -6.739 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.744 -2.362 -8.265 1.00 0.00 H new ATOM 0 HG CYS A 56 1.482 -3.953 -5.897 1.00 0.00 H new ATOM 865 N GLY A 57 4.436 -1.561 -8.631 1.00 0.00 N ATOM 866 CA GLY A 57 5.459 -2.057 -9.533 1.00 0.00 C ATOM 867 C GLY A 57 5.298 -3.532 -9.830 1.00 0.00 C ATOM 868 O GLY A 57 5.931 -4.060 -10.745 1.00 0.00 O ATOM 0 H GLY A 57 4.754 -1.388 -7.677 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.421 -1.495 -10.466 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.442 -1.882 -9.095 1.00 0.00 H new ATOM 872 N TYR A 58 4.468 -4.203 -9.046 1.00 0.00 N ATOM 873 CA TYR A 58 4.204 -5.610 -9.241 1.00 0.00 C ATOM 874 C TYR A 58 2.829 -5.822 -9.868 1.00 0.00 C ATOM 875 O TYR A 58 2.708 -6.358 -10.973 1.00 0.00 O ATOM 876 CB TYR A 58 4.278 -6.333 -7.902 1.00 0.00 C ATOM 877 CG TYR A 58 5.644 -6.301 -7.260 1.00 0.00 C ATOM 878 CD1 TYR A 58 6.668 -7.118 -7.720 1.00 0.00 C ATOM 879 CD2 TYR A 58 5.908 -5.451 -6.193 1.00 0.00 C ATOM 880 CE1 TYR A 58 7.918 -7.090 -7.135 1.00 0.00 C ATOM 881 CE2 TYR A 58 7.155 -5.417 -5.602 1.00 0.00 C ATOM 882 CZ TYR A 58 8.156 -6.238 -6.077 1.00 0.00 C ATOM 883 OH TYR A 58 9.403 -6.206 -5.496 1.00 0.00 O ATOM 0 H TYR A 58 3.964 -3.786 -8.263 1.00 0.00 H new ATOM 0 HA TYR A 58 4.956 -6.015 -9.918 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.556 -5.885 -7.219 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.979 -7.372 -8.045 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.484 -7.786 -8.548 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.125 -4.807 -5.820 1.00 0.00 H new ATOM 0 HE1 TYR A 58 8.705 -7.731 -7.504 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.345 -4.752 -4.773 1.00 0.00 H new ATOM 0 HH TYR A 58 9.407 -5.553 -4.765 1.00 0.00 H new ATOM 893 N CYS A 59 1.800 -5.383 -9.160 1.00 0.00 N ATOM 894 CA CYS A 59 0.428 -5.578 -9.593 1.00 0.00 C ATOM 895 C CYS A 59 -0.103 -4.337 -10.303 1.00 0.00 C ATOM 896 O CYS A 59 0.374 -3.228 -10.077 1.00 0.00 O ATOM 897 CB CYS A 59 -0.438 -5.935 -8.385 1.00 0.00 C ATOM 898 SG CYS A 59 0.022 -7.493 -7.603 1.00 0.00 S ATOM 0 H CYS A 59 1.893 -4.885 -8.275 1.00 0.00 H new ATOM 0 HA CYS A 59 0.393 -6.399 -10.309 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.368 -5.134 -7.649 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.480 -5.989 -8.699 1.00 0.00 H new ATOM 0 HG CYS A 59 -0.392 -7.499 -6.371 1.00 0.00 H new ATOM 904 N ASP A 60 -1.092 -4.533 -11.161 1.00 0.00 N ATOM 905 CA ASP A 60 -1.616 -3.465 -11.998 1.00 0.00 C ATOM 906 C ASP A 60 -2.631 -2.585 -11.275 1.00 0.00 C ATOM 907 O ASP A 60 -3.269 -1.734 -11.894 1.00 0.00 O ATOM 908 CB ASP A 60 -2.253 -4.044 -13.264 1.00 0.00 C ATOM 909 CG ASP A 60 -1.226 -4.489 -14.282 1.00 0.00 C ATOM 910 OD1 ASP A 60 -0.623 -5.567 -14.097 1.00 0.00 O ATOM 911 OD2 ASP A 60 -1.009 -3.754 -15.269 1.00 0.00 O ATOM 0 H ASP A 60 -1.552 -5.433 -11.297 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.767 -2.834 -12.260 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.882 -4.892 -12.994 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.904 -3.294 -13.714 1.00 0.00 H new ATOM 916 N ARG A 61 -2.791 -2.775 -9.973 1.00 0.00 N ATOM 917 CA ARG A 61 -3.713 -1.953 -9.213 1.00 0.00 C ATOM 918 C ARG A 61 -3.070 -0.614 -8.875 1.00 0.00 C ATOM 919 O ARG A 61 -1.942 -0.557 -8.377 1.00 0.00 O ATOM 920 CB ARG A 61 -4.158 -2.665 -7.938 1.00 0.00 C ATOM 921 CG ARG A 61 -4.841 -4.001 -8.187 1.00 0.00 C ATOM 922 CD ARG A 61 -5.523 -4.532 -6.934 1.00 0.00 C ATOM 923 NE ARG A 61 -6.757 -3.807 -6.627 1.00 0.00 N ATOM 924 CZ ARG A 61 -7.637 -4.199 -5.702 1.00 0.00 C ATOM 925 NH1 ARG A 61 -7.367 -5.241 -4.930 1.00 0.00 N ATOM 926 NH2 ARG A 61 -8.770 -3.529 -5.530 1.00 0.00 N ATOM 0 H ARG A 61 -2.299 -3.484 -9.429 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.596 -1.775 -9.827 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.289 -2.825 -7.300 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.840 -2.015 -7.390 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.578 -3.889 -8.982 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.105 -4.726 -8.535 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.749 -5.590 -7.066 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.838 -4.455 -6.089 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.956 -2.954 -7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.487 -5.744 -5.042 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.039 -5.540 -4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.971 -2.711 -6.105 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.439 -3.832 -4.822 1.00 0.00 H new ATOM 940 N ARG A 62 -3.788 0.457 -9.160 1.00 0.00 N ATOM 941 CA ARG A 62 -3.281 1.801 -8.950 1.00 0.00 C ATOM 942 C ARG A 62 -3.911 2.405 -7.697 1.00 0.00 C ATOM 943 O ARG A 62 -5.078 2.148 -7.392 1.00 0.00 O ATOM 944 CB ARG A 62 -3.573 2.649 -10.197 1.00 0.00 C ATOM 945 CG ARG A 62 -3.086 4.090 -10.125 1.00 0.00 C ATOM 946 CD ARG A 62 -4.229 5.050 -9.843 1.00 0.00 C ATOM 947 NE ARG A 62 -5.325 4.894 -10.801 1.00 0.00 N ATOM 948 CZ ARG A 62 -6.397 5.683 -10.850 1.00 0.00 C ATOM 949 NH1 ARG A 62 -6.491 6.746 -10.060 1.00 0.00 N ATOM 950 NH2 ARG A 62 -7.377 5.407 -11.697 1.00 0.00 N ATOM 0 H ARG A 62 -4.733 0.421 -9.541 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.202 1.776 -8.796 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.113 2.169 -11.060 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.649 2.653 -10.371 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.331 4.182 -9.344 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.606 4.360 -11.065 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.603 4.881 -8.833 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.859 6.075 -9.879 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.264 4.131 -11.475 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.738 6.965 -9.408 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.316 7.344 -10.105 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.309 4.593 -12.308 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.200 6.008 -11.738 1.00 0.00 H new ATOM 964 N TYR A 63 -3.134 3.182 -6.962 1.00 0.00 N ATOM 965 CA TYR A 63 -3.613 3.790 -5.731 1.00 0.00 C ATOM 966 C TYR A 63 -3.590 5.305 -5.848 1.00 0.00 C ATOM 967 O TYR A 63 -2.631 5.878 -6.364 1.00 0.00 O ATOM 968 CB TYR A 63 -2.766 3.324 -4.546 1.00 0.00 C ATOM 969 CG TYR A 63 -2.818 1.827 -4.330 1.00 0.00 C ATOM 970 CD1 TYR A 63 -3.804 1.255 -3.537 1.00 0.00 C ATOM 971 CD2 TYR A 63 -1.892 0.985 -4.933 1.00 0.00 C ATOM 972 CE1 TYR A 63 -3.861 -0.115 -3.345 1.00 0.00 C ATOM 973 CE2 TYR A 63 -1.945 -0.384 -4.748 1.00 0.00 C ATOM 974 CZ TYR A 63 -2.933 -0.930 -3.954 1.00 0.00 C ATOM 975 OH TYR A 63 -2.993 -2.295 -3.774 1.00 0.00 O ATOM 0 H TYR A 63 -2.167 3.407 -7.196 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.643 3.476 -5.561 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.731 3.626 -4.706 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.109 3.827 -3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.538 1.889 -3.062 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -1.118 1.407 -5.557 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.631 -0.543 -2.720 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.216 -1.024 -5.223 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.168 -2.706 -4.107 1.00 0.00 H new ATOM 985 N ILE A 64 -4.657 5.947 -5.395 1.00 0.00 N ATOM 986 CA ILE A 64 -4.780 7.388 -5.505 1.00 0.00 C ATOM 987 C ILE A 64 -5.337 7.981 -4.213 1.00 0.00 C ATOM 988 O ILE A 64 -6.168 7.363 -3.544 1.00 0.00 O ATOM 989 CB ILE A 64 -5.692 7.765 -6.695 1.00 0.00 C ATOM 990 CG1 ILE A 64 -5.648 9.272 -6.966 1.00 0.00 C ATOM 991 CG2 ILE A 64 -7.124 7.314 -6.443 1.00 0.00 C ATOM 992 CD1 ILE A 64 -6.459 9.694 -8.173 1.00 0.00 C ATOM 0 H ILE A 64 -5.451 5.489 -4.947 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.786 7.801 -5.679 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.317 7.248 -7.578 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.017 9.802 -6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.611 9.577 -7.110 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.747 7.590 -7.293 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.147 6.232 -6.312 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -7.504 7.797 -5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.382 10.773 -8.304 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.077 9.192 -9.062 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.503 9.421 -8.023 1.00 0.00 H new ATOM 1004 N HIS A 65 -4.865 9.167 -3.854 1.00 0.00 N ATOM 1005 CA HIS A 65 -5.363 9.850 -2.668 1.00 0.00 C ATOM 1006 C HIS A 65 -6.766 10.387 -2.937 1.00 0.00 C ATOM 1007 O HIS A 65 -7.068 10.821 -4.052 1.00 0.00 O ATOM 1008 CB HIS A 65 -4.422 10.991 -2.264 1.00 0.00 C ATOM 1009 CG HIS A 65 -4.756 11.605 -0.935 1.00 0.00 C ATOM 1010 ND1 HIS A 65 -5.567 12.713 -0.839 1.00 0.00 N ATOM 1011 CD2 HIS A 65 -4.362 11.238 0.309 1.00 0.00 C ATOM 1012 CE1 HIS A 65 -5.650 12.989 0.452 1.00 0.00 C ATOM 1013 NE2 HIS A 65 -4.939 12.123 1.182 1.00 0.00 N ATOM 0 H HIS A 65 -4.142 9.674 -4.364 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.404 9.139 -1.843 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.400 10.614 -2.234 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.454 11.765 -3.031 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.718 10.409 0.563 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.219 13.809 0.864 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.844 12.121 2.198 1.00 0.00 H new ATOM 1021 N GLU A 66 -7.611 10.356 -1.912 1.00 0.00 N ATOM 1022 CA GLU A 66 -9.005 10.758 -2.026 1.00 0.00 C ATOM 1023 C GLU A 66 -9.165 12.164 -2.613 1.00 0.00 C ATOM 1024 O GLU A 66 -10.120 12.424 -3.343 1.00 0.00 O ATOM 1025 CB GLU A 66 -9.678 10.673 -0.655 1.00 0.00 C ATOM 1026 CG GLU A 66 -9.034 11.548 0.407 1.00 0.00 C ATOM 1027 CD GLU A 66 -9.771 11.489 1.729 1.00 0.00 C ATOM 1028 OE1 GLU A 66 -10.957 11.880 1.769 1.00 0.00 O ATOM 1029 OE2 GLU A 66 -9.170 11.056 2.737 1.00 0.00 O ATOM 0 H GLU A 66 -7.346 10.050 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.490 10.071 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.725 10.957 -0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.660 9.637 -0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.001 11.233 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.006 12.579 0.056 1.00 0.00 H new ATOM 1036 N SER A 67 -8.224 13.059 -2.320 1.00 0.00 N ATOM 1037 CA SER A 67 -8.313 14.440 -2.782 1.00 0.00 C ATOM 1038 C SER A 67 -8.162 14.525 -4.298 1.00 0.00 C ATOM 1039 O SER A 67 -8.790 15.363 -4.949 1.00 0.00 O ATOM 1040 CB SER A 67 -7.250 15.303 -2.088 1.00 0.00 C ATOM 1041 OG SER A 67 -7.333 16.657 -2.497 1.00 0.00 O ATOM 0 H SER A 67 -7.393 12.852 -1.766 1.00 0.00 H new ATOM 0 HA SER A 67 -9.301 14.821 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.377 15.240 -1.007 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.258 14.913 -2.316 1.00 0.00 H new ATOM 0 HG SER A 67 -6.644 17.181 -2.037 1.00 0.00 H new ATOM 1047 N PHE A 68 -7.354 13.638 -4.857 1.00 0.00 N ATOM 1048 CA PHE A 68 -7.100 13.638 -6.291 1.00 0.00 C ATOM 1049 C PHE A 68 -8.142 12.789 -7.005 1.00 0.00 C ATOM 1050 O PHE A 68 -8.305 12.869 -8.223 1.00 0.00 O ATOM 1051 CB PHE A 68 -5.694 13.097 -6.570 1.00 0.00 C ATOM 1052 CG PHE A 68 -5.084 13.610 -7.845 1.00 0.00 C ATOM 1053 CD1 PHE A 68 -4.481 14.858 -7.885 1.00 0.00 C ATOM 1054 CD2 PHE A 68 -5.102 12.843 -9.000 1.00 0.00 C ATOM 1055 CE1 PHE A 68 -3.912 15.331 -9.050 1.00 0.00 C ATOM 1056 CE2 PHE A 68 -4.536 13.312 -10.169 1.00 0.00 C ATOM 1057 CZ PHE A 68 -3.939 14.557 -10.194 1.00 0.00 C ATOM 0 H PHE A 68 -6.862 12.909 -4.341 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.166 14.660 -6.665 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.043 13.359 -5.736 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.736 12.009 -6.611 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.456 15.467 -6.994 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.564 11.867 -8.985 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.446 16.305 -9.067 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.560 12.706 -11.063 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.494 14.925 -11.107 1.00 0.00 H new ATOM 1067 N ALA A 69 -8.857 11.986 -6.231 1.00 0.00 N ATOM 1068 CA ALA A 69 -9.846 11.080 -6.788 1.00 0.00 C ATOM 1069 C ALA A 69 -11.217 11.741 -6.870 1.00 0.00 C ATOM 1070 O ALA A 69 -11.960 11.542 -7.830 1.00 0.00 O ATOM 1071 CB ALA A 69 -9.922 9.811 -5.954 1.00 0.00 C ATOM 0 H ALA A 69 -8.770 11.945 -5.216 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.536 10.823 -7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.667 9.139 -6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.949 9.319 -5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.205 10.064 -4.932 1.00 0.00 H new ATOM 1077 N ALA A 70 -11.536 12.544 -5.861 1.00 0.00 N ATOM 1078 CA ALA A 70 -12.841 13.192 -5.775 1.00 0.00 C ATOM 1079 C ALA A 70 -12.876 14.492 -6.574 1.00 0.00 C ATOM 1080 O ALA A 70 -13.788 15.306 -6.417 1.00 0.00 O ATOM 1081 CB ALA A 70 -13.203 13.452 -4.319 1.00 0.00 C ATOM 0 H ALA A 70 -10.907 12.763 -5.088 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.579 12.518 -6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.178 13.936 -4.267 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.238 12.506 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.452 14.101 -3.868 1.00 0.00 H new ATOM 1087 N ALA A 71 -11.877 14.686 -7.420 1.00 0.00 N ATOM 1088 CA ALA A 71 -11.829 15.852 -8.287 1.00 0.00 C ATOM 1089 C ALA A 71 -12.708 15.629 -9.512 1.00 0.00 C ATOM 1090 O ALA A 71 -12.535 14.645 -10.235 1.00 0.00 O ATOM 1091 CB ALA A 71 -10.395 16.147 -8.701 1.00 0.00 C ATOM 0 H ALA A 71 -11.087 14.049 -7.525 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.209 16.714 -7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.376 17.023 -9.350 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.792 16.340 -7.813 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.987 15.290 -9.237 1.00 0.00 H new ATOM 1097 N LYS A 72 -13.647 16.539 -9.741 1.00 0.00 N ATOM 1098 CA LYS A 72 -14.584 16.407 -10.852 1.00 0.00 C ATOM 1099 C LYS A 72 -13.924 16.835 -12.152 1.00 0.00 C ATOM 1100 O LYS A 72 -14.220 17.884 -12.723 1.00 0.00 O ATOM 1101 CB LYS A 72 -15.830 17.234 -10.591 1.00 0.00 C ATOM 1102 CG LYS A 72 -17.109 16.658 -11.197 1.00 0.00 C ATOM 1103 CD LYS A 72 -17.172 16.855 -12.706 1.00 0.00 C ATOM 1104 CE LYS A 72 -18.360 16.128 -13.316 1.00 0.00 C ATOM 1105 NZ LYS A 72 -18.515 16.436 -14.762 1.00 0.00 N ATOM 0 H LYS A 72 -13.781 17.376 -9.173 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.876 15.361 -10.941 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.966 17.334 -9.514 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.675 18.237 -10.987 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.170 15.594 -10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.974 17.133 -10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.241 17.919 -12.932 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.250 16.492 -13.160 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.234 15.053 -13.185 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.270 16.409 -12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.336 15.921 -15.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.661 17.458 -14.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.657 16.144 -15.273 1.00 0.00 H new ATOM 1119 N LEU A 73 -12.992 16.022 -12.565 1.00 0.00 N ATOM 1120 CA LEU A 73 -12.260 16.204 -13.801 1.00 0.00 C ATOM 1121 C LEU A 73 -12.186 14.880 -14.543 1.00 0.00 C ATOM 1122 O LEU A 73 -12.375 13.819 -13.941 1.00 0.00 O ATOM 1123 CB LEU A 73 -10.847 16.710 -13.501 1.00 0.00 C ATOM 1124 CG LEU A 73 -10.760 18.111 -12.886 1.00 0.00 C ATOM 1125 CD1 LEU A 73 -9.322 18.440 -12.517 1.00 0.00 C ATOM 1126 CD2 LEU A 73 -11.311 19.152 -13.849 1.00 0.00 C ATOM 0 H LEU A 73 -12.709 15.192 -12.043 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.774 16.939 -14.420 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.365 16.005 -12.824 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.274 16.704 -14.428 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.364 18.127 -11.979 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.277 19.438 -12.082 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.956 17.712 -11.793 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.700 18.406 -13.411 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.241 20.141 -13.395 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.733 19.135 -14.773 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.354 18.927 -14.070 1.00 0.00 H new ATOM 1138 N GLU A 74 -11.921 14.923 -15.840 1.00 0.00 N ATOM 1139 CA GLU A 74 -11.795 13.699 -16.614 1.00 0.00 C ATOM 1140 C GLU A 74 -10.417 13.078 -16.441 1.00 0.00 C ATOM 1141 O GLU A 74 -9.438 13.523 -17.039 1.00 0.00 O ATOM 1142 CB GLU A 74 -12.063 13.939 -18.101 1.00 0.00 C ATOM 1143 CG GLU A 74 -13.534 14.016 -18.458 1.00 0.00 C ATOM 1144 CD GLU A 74 -13.765 13.797 -19.938 1.00 0.00 C ATOM 1145 OE1 GLU A 74 -13.656 12.636 -20.392 1.00 0.00 O ATOM 1146 OE2 GLU A 74 -14.040 14.778 -20.657 1.00 0.00 O ATOM 0 H GLU A 74 -11.790 15.783 -16.373 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.548 13.009 -16.233 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.578 14.867 -18.402 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.601 13.137 -18.677 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.086 13.268 -17.889 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.928 14.990 -18.169 1.00 0.00 H new ATOM 1153 N HIS A 75 -10.342 12.050 -15.611 1.00 0.00 N ATOM 1154 CA HIS A 75 -9.111 11.299 -15.451 1.00 0.00 C ATOM 1155 C HIS A 75 -9.036 10.226 -16.530 1.00 0.00 C ATOM 1156 O HIS A 75 -9.214 9.036 -16.261 1.00 0.00 O ATOM 1157 CB HIS A 75 -9.031 10.662 -14.058 1.00 0.00 C ATOM 1158 CG HIS A 75 -9.034 11.654 -12.934 1.00 0.00 C ATOM 1159 ND1 HIS A 75 -10.159 11.961 -12.200 1.00 0.00 N ATOM 1160 CD2 HIS A 75 -8.033 12.403 -12.412 1.00 0.00 C ATOM 1161 CE1 HIS A 75 -9.851 12.854 -11.278 1.00 0.00 C ATOM 1162 NE2 HIS A 75 -8.568 13.141 -11.387 1.00 0.00 N ATOM 0 H HIS A 75 -11.119 11.718 -15.039 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.266 11.980 -15.552 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -9.874 9.982 -13.931 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -8.124 10.061 -13.996 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -7.005 12.417 -12.742 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.534 13.278 -10.557 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.057 13.804 -10.804 1.00 0.00 H new ATOM 1171 N HIS A 76 -8.817 10.664 -17.765 1.00 0.00 N ATOM 1172 CA HIS A 76 -8.798 9.755 -18.908 1.00 0.00 C ATOM 1173 C HIS A 76 -7.518 8.925 -18.960 1.00 0.00 C ATOM 1174 O HIS A 76 -6.592 9.223 -19.708 1.00 0.00 O ATOM 1175 CB HIS A 76 -9.028 10.492 -20.243 1.00 0.00 C ATOM 1176 CG HIS A 76 -8.338 11.821 -20.387 1.00 0.00 C ATOM 1177 ND1 HIS A 76 -8.979 12.929 -20.891 1.00 0.00 N ATOM 1178 CD2 HIS A 76 -7.072 12.219 -20.110 1.00 0.00 C ATOM 1179 CE1 HIS A 76 -8.144 13.947 -20.918 1.00 0.00 C ATOM 1180 NE2 HIS A 76 -6.978 13.548 -20.448 1.00 0.00 N ATOM 0 H HIS A 76 -8.650 11.642 -18.001 1.00 0.00 H new ATOM 0 HA HIS A 76 -9.632 9.069 -18.764 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.699 9.844 -21.055 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -10.100 10.645 -20.371 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.283 11.606 -19.700 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.375 14.943 -21.267 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.145 14.129 -20.351 1.00 0.00 H new ATOM 1189 N HIS A 77 -7.471 7.906 -18.116 1.00 0.00 N ATOM 1190 CA HIS A 77 -6.413 6.910 -18.152 1.00 0.00 C ATOM 1191 C HIS A 77 -6.974 5.590 -17.631 1.00 0.00 C ATOM 1192 O HIS A 77 -6.734 5.205 -16.489 1.00 0.00 O ATOM 1193 CB HIS A 77 -5.201 7.357 -17.314 1.00 0.00 C ATOM 1194 CG HIS A 77 -3.961 6.523 -17.519 1.00 0.00 C ATOM 1195 ND1 HIS A 77 -2.690 6.972 -17.220 1.00 0.00 N ATOM 1196 CD2 HIS A 77 -3.803 5.259 -17.987 1.00 0.00 C ATOM 1197 CE1 HIS A 77 -1.812 6.025 -17.496 1.00 0.00 C ATOM 1198 NE2 HIS A 77 -2.461 4.977 -17.961 1.00 0.00 N ATOM 0 H HIS A 77 -8.166 7.747 -17.387 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.066 6.786 -19.178 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -4.970 8.395 -17.555 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.473 7.328 -16.259 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.589 4.597 -18.319 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.743 6.097 -17.363 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -2.034 4.098 -18.254 1.00 0.00 H new ATOM 1207 N HIS A 78 -7.769 4.930 -18.461 1.00 0.00 N ATOM 1208 CA HIS A 78 -8.395 3.667 -18.076 1.00 0.00 C ATOM 1209 C HIS A 78 -7.710 2.502 -18.779 1.00 0.00 C ATOM 1210 O HIS A 78 -7.368 1.501 -18.153 1.00 0.00 O ATOM 1211 CB HIS A 78 -9.894 3.671 -18.412 1.00 0.00 C ATOM 1212 CG HIS A 78 -10.679 4.759 -17.736 1.00 0.00 C ATOM 1213 ND1 HIS A 78 -11.067 4.705 -16.411 1.00 0.00 N ATOM 1214 CD2 HIS A 78 -11.151 5.937 -18.213 1.00 0.00 C ATOM 1215 CE1 HIS A 78 -11.742 5.801 -16.107 1.00 0.00 C ATOM 1216 NE2 HIS A 78 -11.803 6.565 -17.181 1.00 0.00 N ATOM 0 H HIS A 78 -7.997 5.245 -19.404 1.00 0.00 H new ATOM 0 HA HIS A 78 -8.283 3.550 -16.998 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -10.012 3.772 -19.491 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -10.319 2.707 -18.134 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -11.035 6.312 -19.219 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -12.171 6.032 -15.143 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -12.261 7.475 -17.236 1.00 0.00 H new ATOM 1225 N HIS A 79 -7.511 2.648 -20.082 1.00 0.00 N ATOM 1226 CA HIS A 79 -6.853 1.627 -20.887 1.00 0.00 C ATOM 1227 C HIS A 79 -6.071 2.300 -22.002 1.00 0.00 C ATOM 1228 O HIS A 79 -6.480 3.351 -22.498 1.00 0.00 O ATOM 1229 CB HIS A 79 -7.889 0.662 -21.482 1.00 0.00 C ATOM 1230 CG HIS A 79 -7.297 -0.536 -22.172 1.00 0.00 C ATOM 1231 ND1 HIS A 79 -6.920 -0.540 -23.500 1.00 0.00 N ATOM 1232 CD2 HIS A 79 -7.035 -1.780 -21.708 1.00 0.00 C ATOM 1233 CE1 HIS A 79 -6.457 -1.734 -23.819 1.00 0.00 C ATOM 1234 NE2 HIS A 79 -6.516 -2.505 -22.750 1.00 0.00 N ATOM 0 H HIS A 79 -7.799 3.473 -20.609 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.174 1.055 -20.255 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -8.548 0.318 -20.684 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.509 1.207 -22.194 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.204 -2.136 -20.702 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.091 -2.030 -24.791 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.223 -3.481 -22.706 1.00 0.00 H new ATOM 1243 N HIS A 80 -4.946 1.718 -22.376 1.00 0.00 N ATOM 1244 CA HIS A 80 -4.162 2.241 -23.477 1.00 0.00 C ATOM 1245 C HIS A 80 -4.222 1.262 -24.641 1.00 0.00 C ATOM 1246 O HIS A 80 -3.336 0.387 -24.732 1.00 0.00 O ATOM 1247 CB HIS A 80 -2.710 2.477 -23.044 1.00 0.00 C ATOM 1248 CG HIS A 80 -1.925 3.329 -23.997 1.00 0.00 C ATOM 1249 ND1 HIS A 80 -1.228 2.821 -25.071 1.00 0.00 N ATOM 1250 CD2 HIS A 80 -1.737 4.672 -24.034 1.00 0.00 C ATOM 1251 CE1 HIS A 80 -0.645 3.807 -25.724 1.00 0.00 C ATOM 1252 NE2 HIS A 80 -0.937 4.943 -25.116 1.00 0.00 N ATOM 1253 OXT HIS A 80 -5.177 1.341 -25.435 1.00 0.00 O ATOM 0 H HIS A 80 -4.557 0.885 -21.934 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.575 3.200 -23.790 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.706 2.949 -22.061 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.211 1.514 -22.937 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.142 5.394 -23.341 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -0.032 3.703 -26.607 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.620 5.869 -25.403 1.00 0.00 H new TER 1262 HIS A 80