USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 550 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0088 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.00491 USER MOD Single : A 5 HIS : no HD1:sc= 1.29 K(o=1.3,f=-7.4!) USER MOD Single : A 6 HIS : no HD1:sc= -0.299 K(o=-0.3,f=-1.6) USER MOD Single : A 7 HIS : no HD1:sc= -0.0578 X(o=-0.058,f=-0.058) USER MOD Single : A 8 HIS : no HD1:sc= -0.0612 X(o=-0.061,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.225 K(o=-0.23,f=-2.9!) USER MOD Single : A 10 HIS : no HD1:sc= -0.0385 X(o=-0.038,f=-0.031) USER MOD Single : A 12 SER OG : rot 180:sc= 0.247 USER MOD Single : A 64 HIS : no HD1:sc= -0.117 K(o=-0.12,f=-0.66) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.485 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 179:sc= 2.77 (180deg=2.75) USER MOD Single : A 92 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.1) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -169:sc= -0.0407 (180deg=-0.32) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.882 38.769 0.497 1.00 0.00 N ATOM 2 CA MET A 1 4.020 37.767 -0.209 1.00 0.00 C ATOM 3 C MET A 1 4.326 37.757 -1.715 1.00 0.00 C ATOM 4 O MET A 1 4.573 38.815 -2.297 1.00 0.00 O ATOM 5 CB MET A 1 2.506 38.011 0.016 1.00 0.00 C ATOM 6 CG MET A 1 2.046 37.824 1.471 1.00 0.00 C ATOM 7 SD MET A 1 0.262 38.054 1.712 1.00 0.00 S ATOM 8 CE MET A 1 0.161 37.825 3.510 1.00 0.00 C ATOM 0 H1 MET A 1 5.558 38.273 1.113 1.00 0.00 H new ATOM 0 H2 MET A 1 5.403 39.334 -0.204 1.00 0.00 H new ATOM 0 H3 MET A 1 4.285 39.396 1.073 1.00 0.00 H new ATOM 0 HA MET A 1 4.260 36.795 0.222 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.262 39.024 -0.303 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.941 37.331 -0.622 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.322 36.823 1.803 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.583 38.530 2.105 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.874 37.934 3.833 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.520 36.829 3.771 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.777 38.574 4.007 1.00 0.00 H new ATOM 20 N ARG A 2 4.314 36.574 -2.356 1.00 0.00 N ATOM 21 CA ARG A 2 4.574 36.390 -3.806 1.00 0.00 C ATOM 22 C ARG A 2 3.828 35.187 -4.406 1.00 0.00 C ATOM 23 O ARG A 2 3.398 34.287 -3.684 1.00 0.00 O ATOM 24 CB ARG A 2 6.097 36.305 -4.060 1.00 0.00 C ATOM 25 CG ARG A 2 6.785 35.091 -3.409 1.00 0.00 C ATOM 26 CD ARG A 2 8.292 35.112 -3.690 1.00 0.00 C ATOM 27 NE ARG A 2 8.974 33.961 -3.063 1.00 0.00 N ATOM 28 CZ ARG A 2 10.272 33.711 -3.072 1.00 0.00 C ATOM 29 NH1 ARG A 2 11.126 34.494 -3.673 1.00 0.00 N ATOM 30 NH2 ARG A 2 10.746 32.656 -2.470 1.00 0.00 N ATOM 0 H ARG A 2 4.119 35.696 -1.874 1.00 0.00 H new ATOM 0 HA ARG A 2 4.177 37.264 -4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.272 36.273 -5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.566 37.216 -3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 2 6.610 35.100 -2.333 1.00 0.00 H new ATOM 0 HG3 ARG A 2 6.350 34.169 -3.795 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.463 35.096 -4.766 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.721 36.040 -3.313 1.00 0.00 H new ATOM 0 HE ARG A 2 8.382 33.290 -2.573 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.798 35.330 -4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.121 34.270 -3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.114 32.017 -1.988 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.749 32.470 -2.481 1.00 0.00 H new ATOM 44 N GLY A 3 3.717 35.164 -5.736 1.00 0.00 N ATOM 45 CA GLY A 3 3.148 34.063 -6.526 1.00 0.00 C ATOM 46 C GLY A 3 3.327 34.274 -8.036 1.00 0.00 C ATOM 47 O GLY A 3 3.345 35.413 -8.509 1.00 0.00 O ATOM 0 H GLY A 3 4.032 35.940 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.623 33.126 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.086 33.967 -6.298 1.00 0.00 H new ATOM 51 N SER A 4 3.490 33.181 -8.791 1.00 0.00 N ATOM 52 CA SER A 4 3.751 33.195 -10.243 1.00 0.00 C ATOM 53 C SER A 4 3.250 31.916 -10.943 1.00 0.00 C ATOM 54 O SER A 4 2.800 30.971 -10.288 1.00 0.00 O ATOM 55 CB SER A 4 5.258 33.392 -10.478 1.00 0.00 C ATOM 56 OG SER A 4 5.515 33.759 -11.826 1.00 0.00 O ATOM 0 H SER A 4 3.444 32.238 -8.404 1.00 0.00 H new ATOM 0 HA SER A 4 3.194 34.023 -10.682 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.637 34.163 -9.808 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.791 32.472 -10.239 1.00 0.00 H new ATOM 0 HG SER A 4 6.479 33.881 -11.954 1.00 0.00 H new ATOM 62 N HIS A 5 3.334 31.891 -12.280 1.00 0.00 N ATOM 63 CA HIS A 5 2.946 30.783 -13.170 1.00 0.00 C ATOM 64 C HIS A 5 1.516 30.275 -12.914 1.00 0.00 C ATOM 65 O HIS A 5 1.291 29.131 -12.503 1.00 0.00 O ATOM 66 CB HIS A 5 4.036 29.693 -13.153 1.00 0.00 C ATOM 67 CG HIS A 5 3.933 28.705 -14.292 1.00 0.00 C ATOM 68 ND1 HIS A 5 3.840 27.313 -14.161 1.00 0.00 N ATOM 69 CD2 HIS A 5 3.966 29.021 -15.619 1.00 0.00 C ATOM 70 CE1 HIS A 5 3.800 26.831 -15.417 1.00 0.00 C ATOM 71 NE2 HIS A 5 3.873 27.832 -16.309 1.00 0.00 N ATOM 0 H HIS A 5 3.695 32.689 -12.802 1.00 0.00 H new ATOM 0 HA HIS A 5 2.892 31.156 -14.193 1.00 0.00 H new ATOM 0 HB2 HIS A 5 5.015 30.171 -13.188 1.00 0.00 H new ATOM 0 HB3 HIS A 5 3.979 29.151 -12.209 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.049 30.010 -16.045 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.720 25.785 -15.672 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.862 27.730 -17.324 1.00 0.00 H new ATOM 79 N HIS A 6 0.537 31.164 -13.113 1.00 0.00 N ATOM 80 CA HIS A 6 -0.894 30.886 -12.951 1.00 0.00 C ATOM 81 C HIS A 6 -1.652 31.043 -14.280 1.00 0.00 C ATOM 82 O HIS A 6 -1.946 32.159 -14.718 1.00 0.00 O ATOM 83 CB HIS A 6 -1.465 31.772 -11.836 1.00 0.00 C ATOM 84 CG HIS A 6 -2.922 31.490 -11.567 1.00 0.00 C ATOM 85 ND1 HIS A 6 -3.518 30.228 -11.619 1.00 0.00 N ATOM 86 CD2 HIS A 6 -3.874 32.420 -11.261 1.00 0.00 C ATOM 87 CE1 HIS A 6 -4.816 30.426 -11.329 1.00 0.00 C ATOM 88 NE2 HIS A 6 -5.057 31.730 -11.110 1.00 0.00 N ATOM 0 H HIS A 6 0.724 32.125 -13.400 1.00 0.00 H new ATOM 0 HA HIS A 6 -1.026 29.846 -12.654 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -0.893 31.615 -10.922 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -1.345 32.820 -12.111 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -3.728 33.485 -11.158 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.561 29.646 -11.279 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -5.961 32.139 -10.873 1.00 0.00 H new ATOM 96 N HIS A 7 -1.952 29.905 -14.917 1.00 0.00 N ATOM 97 CA HIS A 7 -2.526 29.817 -16.271 1.00 0.00 C ATOM 98 C HIS A 7 -3.641 28.753 -16.393 1.00 0.00 C ATOM 99 O HIS A 7 -3.924 28.268 -17.490 1.00 0.00 O ATOM 100 CB HIS A 7 -1.380 29.586 -17.280 1.00 0.00 C ATOM 101 CG HIS A 7 -0.363 30.705 -17.324 1.00 0.00 C ATOM 102 ND1 HIS A 7 0.880 30.717 -16.677 1.00 0.00 N ATOM 103 CD2 HIS A 7 -0.507 31.874 -18.016 1.00 0.00 C ATOM 104 CE1 HIS A 7 1.451 31.892 -16.998 1.00 0.00 C ATOM 105 NE2 HIS A 7 0.640 32.605 -17.799 1.00 0.00 N ATOM 0 H HIS A 7 -1.798 28.990 -14.494 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.024 30.760 -16.497 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.871 28.656 -17.029 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -1.806 29.457 -18.275 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.355 32.168 -18.616 1.00 0.00 H new ATOM 0 HE1 HIS A 7 2.424 32.217 -16.660 1.00 0.00 H new ATOM 0 HE2 HIS A 7 0.840 33.529 -18.181 1.00 0.00 H new ATOM 113 N HIS A 8 -4.268 28.367 -15.270 1.00 0.00 N ATOM 114 CA HIS A 8 -5.285 27.302 -15.201 1.00 0.00 C ATOM 115 C HIS A 8 -6.514 27.729 -14.381 1.00 0.00 C ATOM 116 O HIS A 8 -6.378 28.354 -13.328 1.00 0.00 O ATOM 117 CB HIS A 8 -4.646 26.030 -14.626 1.00 0.00 C ATOM 118 CG HIS A 8 -5.485 24.790 -14.827 1.00 0.00 C ATOM 119 ND1 HIS A 8 -5.304 23.849 -15.844 1.00 0.00 N ATOM 120 CD2 HIS A 8 -6.558 24.419 -14.068 1.00 0.00 C ATOM 121 CE1 HIS A 8 -6.269 22.929 -15.671 1.00 0.00 C ATOM 122 NE2 HIS A 8 -7.038 23.247 -14.612 1.00 0.00 N ATOM 0 H HIS A 8 -4.079 28.795 -14.364 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.645 27.101 -16.210 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -3.672 25.880 -15.092 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.471 26.171 -13.560 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.953 24.942 -13.209 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -6.408 22.058 -16.294 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -7.837 22.713 -14.271 1.00 0.00 H new ATOM 130 N HIS A 9 -7.714 27.384 -14.860 1.00 0.00 N ATOM 131 CA HIS A 9 -9.004 27.749 -14.251 1.00 0.00 C ATOM 132 C HIS A 9 -10.126 26.768 -14.649 1.00 0.00 C ATOM 133 O HIS A 9 -9.994 26.018 -15.623 1.00 0.00 O ATOM 134 CB HIS A 9 -9.349 29.187 -14.692 1.00 0.00 C ATOM 135 CG HIS A 9 -10.604 29.772 -14.082 1.00 0.00 C ATOM 136 ND1 HIS A 9 -11.032 29.601 -12.761 1.00 0.00 N ATOM 137 CD2 HIS A 9 -11.512 30.546 -14.743 1.00 0.00 C ATOM 138 CE1 HIS A 9 -12.183 30.289 -12.656 1.00 0.00 C ATOM 139 NE2 HIS A 9 -12.497 30.859 -13.833 1.00 0.00 N ATOM 0 H HIS A 9 -7.821 26.826 -15.707 1.00 0.00 H new ATOM 0 HA HIS A 9 -8.919 27.695 -13.166 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.509 29.836 -14.444 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.453 29.201 -15.777 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.467 30.853 -15.777 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -12.772 30.372 -11.754 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -13.324 31.426 -14.020 1.00 0.00 H new ATOM 147 N HIS A 10 -11.256 26.830 -13.936 1.00 0.00 N ATOM 148 CA HIS A 10 -12.535 26.182 -14.271 1.00 0.00 C ATOM 149 C HIS A 10 -12.470 24.648 -14.454 1.00 0.00 C ATOM 150 O HIS A 10 -13.228 24.070 -15.236 1.00 0.00 O ATOM 151 CB HIS A 10 -13.192 26.949 -15.440 1.00 0.00 C ATOM 152 CG HIS A 10 -14.677 26.714 -15.615 1.00 0.00 C ATOM 153 ND1 HIS A 10 -15.303 26.286 -16.792 1.00 0.00 N ATOM 154 CD2 HIS A 10 -15.635 26.945 -14.668 1.00 0.00 C ATOM 155 CE1 HIS A 10 -16.621 26.255 -16.521 1.00 0.00 C ATOM 156 NE2 HIS A 10 -16.847 26.645 -15.253 1.00 0.00 N ATOM 0 H HIS A 10 -11.309 27.359 -13.066 1.00 0.00 H new ATOM 0 HA HIS A 10 -13.187 26.257 -13.401 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -13.025 28.016 -15.292 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -12.686 26.672 -16.365 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -15.474 27.294 -13.659 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -17.388 25.959 -17.221 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -17.759 26.708 -14.802 1.00 0.00 H new ATOM 164 N GLY A 11 -11.584 23.968 -13.714 1.00 0.00 N ATOM 165 CA GLY A 11 -11.515 22.502 -13.653 1.00 0.00 C ATOM 166 C GLY A 11 -12.732 21.897 -12.938 1.00 0.00 C ATOM 167 O GLY A 11 -13.582 21.272 -13.580 1.00 0.00 O ATOM 0 H GLY A 11 -10.884 24.428 -13.132 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.452 22.100 -14.664 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.604 22.203 -13.134 1.00 0.00 H new ATOM 171 N SER A 12 -12.840 22.131 -11.622 1.00 0.00 N ATOM 172 CA SER A 12 -13.962 21.704 -10.760 1.00 0.00 C ATOM 173 C SER A 12 -14.288 20.191 -10.843 1.00 0.00 C ATOM 174 O SER A 12 -13.440 19.380 -11.227 1.00 0.00 O ATOM 175 CB SER A 12 -15.173 22.610 -11.050 1.00 0.00 C ATOM 176 OG SER A 12 -16.120 22.549 -9.993 1.00 0.00 O ATOM 0 H SER A 12 -12.124 22.642 -11.105 1.00 0.00 H new ATOM 0 HA SER A 12 -13.662 21.829 -9.719 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.838 23.639 -11.184 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.645 22.304 -11.984 1.00 0.00 H new ATOM 0 HG SER A 12 -16.879 23.134 -10.199 1.00 0.00 H new ATOM 182 N GLY A 58 -15.502 19.783 -10.450 1.00 0.00 N ATOM 183 CA GLY A 58 -15.996 18.399 -10.500 1.00 0.00 C ATOM 184 C GLY A 58 -15.628 17.525 -9.290 1.00 0.00 C ATOM 185 O GLY A 58 -14.917 17.952 -8.378 1.00 0.00 O ATOM 0 H GLY A 58 -16.194 20.432 -10.074 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -17.082 18.422 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.608 17.925 -11.401 1.00 0.00 H new ATOM 189 N ALA A 59 -16.148 16.291 -9.281 1.00 0.00 N ATOM 190 CA ALA A 59 -16.058 15.334 -8.172 1.00 0.00 C ATOM 191 C ALA A 59 -15.903 13.874 -8.670 1.00 0.00 C ATOM 192 O ALA A 59 -16.613 12.964 -8.238 1.00 0.00 O ATOM 193 CB ALA A 59 -17.273 15.549 -7.254 1.00 0.00 C ATOM 0 H ALA A 59 -16.663 15.918 -10.078 1.00 0.00 H new ATOM 0 HA ALA A 59 -15.152 15.515 -7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -17.228 14.848 -6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -17.263 16.569 -6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -18.190 15.383 -7.819 1.00 0.00 H new ATOM 199 N LEU A 60 -14.988 13.657 -9.626 1.00 0.00 N ATOM 200 CA LEU A 60 -14.795 12.387 -10.330 1.00 0.00 C ATOM 201 C LEU A 60 -14.180 11.287 -9.435 1.00 0.00 C ATOM 202 O LEU A 60 -14.498 10.107 -9.599 1.00 0.00 O ATOM 203 CB LEU A 60 -13.929 12.733 -11.560 1.00 0.00 C ATOM 204 CG LEU A 60 -13.438 11.528 -12.373 1.00 0.00 C ATOM 205 CD1 LEU A 60 -14.581 10.725 -12.995 1.00 0.00 C ATOM 206 CD2 LEU A 60 -12.511 11.996 -13.495 1.00 0.00 C ATOM 0 H LEU A 60 -14.344 14.384 -9.938 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.747 11.950 -10.632 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.504 13.385 -12.218 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.062 13.303 -11.225 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.910 10.880 -11.674 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.172 9.886 -13.558 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.233 10.350 -12.206 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.154 11.366 -13.665 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.168 11.134 -14.067 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.051 12.676 -14.154 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.652 12.512 -13.066 1.00 0.00 H new ATOM 218 N ALA A 61 -13.309 11.656 -8.487 1.00 0.00 N ATOM 219 CA ALA A 61 -12.623 10.704 -7.609 1.00 0.00 C ATOM 220 C ALA A 61 -13.529 10.133 -6.501 1.00 0.00 C ATOM 221 O ALA A 61 -14.344 10.857 -5.921 1.00 0.00 O ATOM 222 CB ALA A 61 -11.400 11.386 -7.000 1.00 0.00 C ATOM 0 H ALA A 61 -13.060 12.629 -8.308 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.323 9.851 -8.218 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.882 10.686 -6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.727 11.704 -7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.717 12.255 -6.424 1.00 0.00 H new ATOM 228 N ALA A 62 -13.340 8.852 -6.168 1.00 0.00 N ATOM 229 CA ALA A 62 -14.102 8.135 -5.144 1.00 0.00 C ATOM 230 C ALA A 62 -13.354 7.901 -3.818 1.00 0.00 C ATOM 231 O ALA A 62 -12.128 7.788 -3.779 1.00 0.00 O ATOM 232 CB ALA A 62 -14.641 6.825 -5.737 1.00 0.00 C ATOM 0 H ALA A 62 -12.633 8.270 -6.617 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.929 8.786 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.209 6.288 -4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.289 7.049 -6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.808 6.207 -6.071 1.00 0.00 H new ATOM 238 N LEU A 63 -14.126 7.803 -2.727 1.00 0.00 N ATOM 239 CA LEU A 63 -13.647 7.628 -1.351 1.00 0.00 C ATOM 240 C LEU A 63 -14.277 6.402 -0.670 1.00 0.00 C ATOM 241 O LEU A 63 -15.431 6.054 -0.928 1.00 0.00 O ATOM 242 CB LEU A 63 -13.972 8.887 -0.519 1.00 0.00 C ATOM 243 CG LEU A 63 -13.340 10.204 -1.000 1.00 0.00 C ATOM 244 CD1 LEU A 63 -13.816 11.356 -0.116 1.00 0.00 C ATOM 245 CD2 LEU A 63 -11.817 10.158 -0.931 1.00 0.00 C ATOM 0 H LEU A 63 -15.144 7.845 -2.783 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.569 7.472 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.054 9.014 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.653 8.710 0.508 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.645 10.351 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.366 12.288 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.902 11.434 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.520 11.169 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.408 11.107 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.505 9.984 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.448 9.350 -1.563 1.00 0.00 H new ATOM 257 N HIS A 64 -13.541 5.797 0.265 1.00 0.00 N ATOM 258 CA HIS A 64 -14.090 4.867 1.260 1.00 0.00 C ATOM 259 C HIS A 64 -14.966 5.631 2.266 1.00 0.00 C ATOM 260 O HIS A 64 -14.540 6.656 2.801 1.00 0.00 O ATOM 261 CB HIS A 64 -12.937 4.169 1.994 1.00 0.00 C ATOM 262 CG HIS A 64 -12.153 3.188 1.162 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.596 1.918 0.785 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.872 3.363 0.721 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.567 1.355 0.128 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.519 2.196 0.078 1.00 0.00 N ATOM 0 H HIS A 64 -12.535 5.939 0.355 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.704 4.120 0.757 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.254 4.930 2.372 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.342 3.646 2.860 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.258 4.242 0.850 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.580 0.364 -0.301 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.618 2.004 -0.360 1.00 0.00 H new ATOM 274 N ALA A 65 -16.172 5.135 2.550 1.00 0.00 N ATOM 275 CA ALA A 65 -17.142 5.822 3.414 1.00 0.00 C ATOM 276 C ALA A 65 -17.086 5.393 4.897 1.00 0.00 C ATOM 277 O ALA A 65 -17.475 6.165 5.776 1.00 0.00 O ATOM 278 CB ALA A 65 -18.538 5.600 2.819 1.00 0.00 C ATOM 0 H ALA A 65 -16.507 4.243 2.187 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.887 6.882 3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.282 6.099 3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.573 6.011 1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.753 4.532 2.784 1.00 0.00 H new ATOM 284 N GLU A 66 -16.617 4.173 5.184 1.00 0.00 N ATOM 285 CA GLU A 66 -16.659 3.537 6.515 1.00 0.00 C ATOM 286 C GLU A 66 -15.377 2.731 6.823 1.00 0.00 C ATOM 287 O GLU A 66 -14.595 2.403 5.927 1.00 0.00 O ATOM 288 CB GLU A 66 -17.890 2.614 6.616 1.00 0.00 C ATOM 289 CG GLU A 66 -19.230 3.360 6.539 1.00 0.00 C ATOM 290 CD GLU A 66 -20.407 2.399 6.795 1.00 0.00 C ATOM 291 OE1 GLU A 66 -20.928 1.793 5.826 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.829 2.246 7.968 1.00 0.00 O ATOM 0 H GLU A 66 -16.183 3.579 4.477 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.728 4.336 7.253 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.848 1.878 5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.844 2.064 7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -19.246 4.165 7.274 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -19.338 3.822 5.558 1.00 0.00 H new ATOM 299 N GLY A 67 -15.172 2.390 8.103 1.00 0.00 N ATOM 300 CA GLY A 67 -14.043 1.574 8.572 1.00 0.00 C ATOM 301 C GLY A 67 -12.695 2.320 8.627 1.00 0.00 C ATOM 302 O GLY A 67 -12.664 3.551 8.533 1.00 0.00 O ATOM 0 H GLY A 67 -15.798 2.679 8.855 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.274 1.194 9.567 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.939 0.709 7.917 1.00 0.00 H new ATOM 306 N PRO A 68 -11.561 1.599 8.768 1.00 0.00 N ATOM 307 CA PRO A 68 -10.226 2.191 8.954 1.00 0.00 C ATOM 308 C PRO A 68 -9.802 3.175 7.852 1.00 0.00 C ATOM 309 O PRO A 68 -9.022 4.095 8.102 1.00 0.00 O ATOM 310 CB PRO A 68 -9.248 1.007 8.989 1.00 0.00 C ATOM 311 CG PRO A 68 -10.030 -0.176 8.422 1.00 0.00 C ATOM 312 CD PRO A 68 -11.469 0.145 8.807 1.00 0.00 C ATOM 0 HA PRO A 68 -10.232 2.785 9.868 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.359 1.213 8.393 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.911 0.805 10.006 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.910 -0.258 7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.699 -1.121 8.852 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.174 -0.313 8.113 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.706 -0.238 9.800 1.00 0.00 H new ATOM 320 N LEU A 69 -10.314 2.977 6.633 1.00 0.00 N ATOM 321 CA LEU A 69 -9.986 3.766 5.446 1.00 0.00 C ATOM 322 C LEU A 69 -10.981 4.915 5.176 1.00 0.00 C ATOM 323 O LEU A 69 -10.840 5.615 4.175 1.00 0.00 O ATOM 324 CB LEU A 69 -9.854 2.800 4.255 1.00 0.00 C ATOM 325 CG LEU A 69 -8.768 1.709 4.387 1.00 0.00 C ATOM 326 CD1 LEU A 69 -8.768 0.841 3.132 1.00 0.00 C ATOM 327 CD2 LEU A 69 -7.375 2.296 4.607 1.00 0.00 C ATOM 0 H LEU A 69 -10.990 2.238 6.441 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.038 4.278 5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.816 2.311 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.647 3.385 3.359 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.008 1.109 5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.003 0.070 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.744 0.371 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.557 1.461 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.649 1.488 4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.111 2.932 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.370 2.887 5.523 1.00 0.00 H new ATOM 339 N ALA A 70 -11.980 5.128 6.040 1.00 0.00 N ATOM 340 CA ALA A 70 -12.982 6.185 5.871 1.00 0.00 C ATOM 341 C ALA A 70 -12.340 7.562 5.578 1.00 0.00 C ATOM 342 O ALA A 70 -11.469 8.029 6.317 1.00 0.00 O ATOM 343 CB ALA A 70 -13.870 6.252 7.118 1.00 0.00 C ATOM 0 H ALA A 70 -12.116 4.568 6.881 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.591 5.935 5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.615 7.038 6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.372 5.295 7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.255 6.471 7.991 1.00 0.00 H new ATOM 349 N GLY A 71 -12.785 8.207 4.495 1.00 0.00 N ATOM 350 CA GLY A 71 -12.260 9.491 4.015 1.00 0.00 C ATOM 351 C GLY A 71 -11.122 9.410 2.994 1.00 0.00 C ATOM 352 O GLY A 71 -10.685 10.456 2.513 1.00 0.00 O ATOM 0 H GLY A 71 -13.539 7.842 3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.081 10.054 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.910 10.063 4.875 1.00 0.00 H new ATOM 356 N LEU A 72 -10.633 8.210 2.663 1.00 0.00 N ATOM 357 CA LEU A 72 -9.451 8.011 1.814 1.00 0.00 C ATOM 358 C LEU A 72 -9.815 7.487 0.401 1.00 0.00 C ATOM 359 O LEU A 72 -10.861 6.846 0.255 1.00 0.00 O ATOM 360 CB LEU A 72 -8.489 7.071 2.564 1.00 0.00 C ATOM 361 CG LEU A 72 -8.108 7.459 4.007 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.052 6.476 4.514 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.547 8.878 4.118 1.00 0.00 C ATOM 0 H LEU A 72 -11.053 7.336 2.981 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.962 8.968 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.937 6.078 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.571 6.992 1.982 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.019 7.422 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.772 6.737 5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.458 5.465 4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.172 6.524 3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.298 9.091 5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.650 8.963 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.293 9.592 3.770 1.00 0.00 H new ATOM 375 N PRO A 73 -8.985 7.716 -0.641 1.00 0.00 N ATOM 376 CA PRO A 73 -9.218 7.225 -2.012 1.00 0.00 C ATOM 377 C PRO A 73 -9.368 5.709 -2.085 1.00 0.00 C ATOM 378 O PRO A 73 -8.670 4.971 -1.390 1.00 0.00 O ATOM 379 CB PRO A 73 -8.011 7.686 -2.840 1.00 0.00 C ATOM 380 CG PRO A 73 -6.918 7.885 -1.793 1.00 0.00 C ATOM 381 CD PRO A 73 -7.696 8.398 -0.589 1.00 0.00 C ATOM 0 HA PRO A 73 -10.158 7.626 -2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.725 6.941 -3.583 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.223 8.609 -3.380 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.396 6.954 -1.571 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.166 8.601 -2.124 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.172 8.177 0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.822 9.480 -0.634 1.00 0.00 H new ATOM 389 N VAL A 74 -10.236 5.235 -2.978 1.00 0.00 N ATOM 390 CA VAL A 74 -10.395 3.794 -3.235 1.00 0.00 C ATOM 391 C VAL A 74 -9.291 3.267 -4.165 1.00 0.00 C ATOM 392 O VAL A 74 -8.895 2.105 -4.045 1.00 0.00 O ATOM 393 CB VAL A 74 -11.816 3.475 -3.750 1.00 0.00 C ATOM 394 CG1 VAL A 74 -12.057 1.970 -3.899 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.884 3.990 -2.775 1.00 0.00 C ATOM 0 H VAL A 74 -10.846 5.828 -3.541 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.279 3.263 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.890 3.966 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.070 1.798 -4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.341 1.555 -4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.932 1.484 -2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.875 3.752 -3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.750 3.514 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.787 5.070 -2.666 1.00 0.00 H new ATOM 405 N THR A 75 -8.748 4.112 -5.053 1.00 0.00 N ATOM 406 CA THR A 75 -7.774 3.722 -6.096 1.00 0.00 C ATOM 407 C THR A 75 -6.647 4.745 -6.271 1.00 0.00 C ATOM 408 O THR A 75 -6.748 5.889 -5.820 1.00 0.00 O ATOM 409 CB THR A 75 -8.469 3.478 -7.454 1.00 0.00 C ATOM 410 OG1 THR A 75 -8.676 4.703 -8.128 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.823 2.776 -7.339 1.00 0.00 C ATOM 0 H THR A 75 -8.975 5.106 -5.071 1.00 0.00 H new ATOM 0 HA THR A 75 -7.325 2.791 -5.749 1.00 0.00 H new ATOM 0 HB THR A 75 -7.795 2.823 -8.007 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.116 4.533 -8.987 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.248 2.640 -8.333 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.689 1.803 -6.866 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.498 3.384 -6.736 1.00 0.00 H new ATOM 419 N ARG A 76 -5.569 4.360 -6.975 1.00 0.00 N ATOM 420 CA ARG A 76 -4.466 5.272 -7.346 1.00 0.00 C ATOM 421 C ARG A 76 -4.965 6.427 -8.225 1.00 0.00 C ATOM 422 O ARG A 76 -4.538 7.562 -8.041 1.00 0.00 O ATOM 423 CB ARG A 76 -3.356 4.454 -8.045 1.00 0.00 C ATOM 424 CG ARG A 76 -2.017 5.213 -8.150 1.00 0.00 C ATOM 425 CD ARG A 76 -1.042 4.566 -9.143 1.00 0.00 C ATOM 426 NE ARG A 76 -0.672 3.182 -8.770 1.00 0.00 N ATOM 427 CZ ARG A 76 0.108 2.367 -9.463 1.00 0.00 C ATOM 428 NH1 ARG A 76 0.699 2.742 -10.564 1.00 0.00 N ATOM 429 NH2 ARG A 76 0.314 1.146 -9.061 1.00 0.00 N ATOM 0 H ARG A 76 -5.435 3.404 -7.305 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.055 5.730 -6.446 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.198 3.525 -7.497 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.691 4.180 -9.046 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.211 6.241 -8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.551 5.256 -7.166 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.493 4.561 -10.136 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.139 5.173 -9.206 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.054 2.822 -7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.567 3.690 -10.916 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.293 2.087 -11.072 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.127 0.810 -8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.917 0.526 -9.602 1.00 0.00 H new ATOM 443 N SER A 77 -5.926 6.150 -9.108 1.00 0.00 N ATOM 444 CA SER A 77 -6.593 7.165 -9.939 1.00 0.00 C ATOM 445 C SER A 77 -7.404 8.143 -9.082 1.00 0.00 C ATOM 446 O SER A 77 -7.240 9.353 -9.229 1.00 0.00 O ATOM 447 CB SER A 77 -7.478 6.486 -10.991 1.00 0.00 C ATOM 448 OG SER A 77 -7.977 7.446 -11.909 1.00 0.00 O ATOM 0 H SER A 77 -6.270 5.204 -9.271 1.00 0.00 H new ATOM 0 HA SER A 77 -5.827 7.745 -10.453 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.905 5.727 -11.524 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.307 5.974 -10.503 1.00 0.00 H new ATOM 0 HG SER A 77 -8.539 6.999 -12.576 1.00 0.00 H new ATOM 454 N ASP A 78 -8.178 7.655 -8.100 1.00 0.00 N ATOM 455 CA ASP A 78 -8.896 8.539 -7.171 1.00 0.00 C ATOM 456 C ASP A 78 -7.921 9.415 -6.380 1.00 0.00 C ATOM 457 O ASP A 78 -8.132 10.617 -6.282 1.00 0.00 O ATOM 458 CB ASP A 78 -9.790 7.764 -6.193 1.00 0.00 C ATOM 459 CG ASP A 78 -10.884 6.935 -6.873 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.504 7.425 -7.848 1.00 0.00 O ATOM 461 OD2 ASP A 78 -11.186 5.840 -6.351 1.00 0.00 O ATOM 0 H ASP A 78 -8.322 6.660 -7.930 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.537 9.170 -7.787 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.166 7.101 -5.593 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.257 8.470 -5.506 1.00 0.00 H new ATOM 466 N ALA A 79 -6.814 8.858 -5.880 1.00 0.00 N ATOM 467 CA ALA A 79 -5.796 9.614 -5.150 1.00 0.00 C ATOM 468 C ALA A 79 -5.142 10.716 -6.012 1.00 0.00 C ATOM 469 O ALA A 79 -5.080 11.878 -5.609 1.00 0.00 O ATOM 470 CB ALA A 79 -4.765 8.603 -4.632 1.00 0.00 C ATOM 0 H ALA A 79 -6.599 7.865 -5.972 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.258 10.148 -4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.986 9.128 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.257 7.887 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.319 8.074 -5.474 1.00 0.00 H new ATOM 476 N ARG A 80 -4.716 10.374 -7.235 1.00 0.00 N ATOM 477 CA ARG A 80 -4.121 11.305 -8.214 1.00 0.00 C ATOM 478 C ARG A 80 -5.096 12.420 -8.608 1.00 0.00 C ATOM 479 O ARG A 80 -4.706 13.587 -8.644 1.00 0.00 O ATOM 480 CB ARG A 80 -3.623 10.456 -9.398 1.00 0.00 C ATOM 481 CG ARG A 80 -2.875 11.253 -10.475 1.00 0.00 C ATOM 482 CD ARG A 80 -2.193 10.305 -11.469 1.00 0.00 C ATOM 483 NE ARG A 80 -1.684 11.026 -12.655 1.00 0.00 N ATOM 484 CZ ARG A 80 -0.431 11.321 -12.958 1.00 0.00 C ATOM 485 NH1 ARG A 80 0.558 11.170 -12.123 1.00 0.00 N ATOM 486 NH2 ARG A 80 -0.145 11.789 -14.138 1.00 0.00 N ATOM 0 H ARG A 80 -4.775 9.417 -7.584 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.275 11.842 -7.785 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.965 9.674 -9.018 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.477 9.958 -9.858 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.572 11.904 -11.004 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.130 11.897 -10.008 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.369 9.792 -10.974 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.901 9.539 -11.785 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.389 11.335 -13.325 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.383 10.809 -11.185 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.507 11.413 -12.407 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.886 11.927 -14.825 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.820 12.018 -14.376 1.00 0.00 H new ATOM 500 N VAL A 81 -6.372 12.094 -8.814 1.00 0.00 N ATOM 501 CA VAL A 81 -7.428 13.072 -9.136 1.00 0.00 C ATOM 502 C VAL A 81 -7.842 13.903 -7.913 1.00 0.00 C ATOM 503 O VAL A 81 -8.079 15.094 -8.076 1.00 0.00 O ATOM 504 CB VAL A 81 -8.627 12.380 -9.823 1.00 0.00 C ATOM 505 CG1 VAL A 81 -9.817 13.322 -10.055 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.219 11.846 -11.203 1.00 0.00 C ATOM 0 H VAL A 81 -6.712 11.134 -8.763 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.016 13.785 -9.850 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.926 11.581 -9.145 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.625 12.775 -10.540 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.165 13.711 -9.098 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.506 14.151 -10.692 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.075 11.362 -11.673 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.881 12.673 -11.828 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.411 11.124 -11.089 1.00 0.00 H new ATOM 516 N LEU A 82 -7.849 13.364 -6.685 1.00 0.00 N ATOM 517 CA LEU A 82 -8.053 14.165 -5.465 1.00 0.00 C ATOM 518 C LEU A 82 -6.949 15.219 -5.297 1.00 0.00 C ATOM 519 O LEU A 82 -7.258 16.388 -5.067 1.00 0.00 O ATOM 520 CB LEU A 82 -8.101 13.252 -4.224 1.00 0.00 C ATOM 521 CG LEU A 82 -9.415 12.471 -4.050 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.208 11.365 -3.020 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.580 13.349 -3.593 1.00 0.00 C ATOM 0 H LEU A 82 -7.715 12.368 -6.508 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.006 14.684 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.277 12.541 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.936 13.861 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.674 12.066 -5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.136 10.808 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.424 10.690 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.915 11.806 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.477 12.738 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.338 13.804 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.757 14.131 -4.331 1.00 0.00 H new ATOM 535 N ILE A 83 -5.679 14.835 -5.487 1.00 0.00 N ATOM 536 CA ILE A 83 -4.549 15.781 -5.442 1.00 0.00 C ATOM 537 C ILE A 83 -4.688 16.837 -6.549 1.00 0.00 C ATOM 538 O ILE A 83 -4.518 18.026 -6.281 1.00 0.00 O ATOM 539 CB ILE A 83 -3.194 15.041 -5.527 1.00 0.00 C ATOM 540 CG1 ILE A 83 -2.990 14.111 -4.305 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.040 16.063 -5.613 1.00 0.00 C ATOM 542 CD1 ILE A 83 -1.935 13.023 -4.538 1.00 0.00 C ATOM 0 H ILE A 83 -5.405 13.871 -5.675 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.572 16.296 -4.482 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.197 14.425 -6.426 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.697 14.713 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.940 13.638 -4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.089 15.534 -5.673 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.167 16.682 -6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.048 16.696 -4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.843 12.408 -3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.237 12.398 -5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.975 13.489 -4.759 1.00 0.00 H new ATOM 554 N PHE A 84 -5.048 16.429 -7.773 1.00 0.00 N ATOM 555 CA PHE A 84 -5.311 17.360 -8.875 1.00 0.00 C ATOM 556 C PHE A 84 -6.434 18.355 -8.537 1.00 0.00 C ATOM 557 O PHE A 84 -6.251 19.558 -8.698 1.00 0.00 O ATOM 558 CB PHE A 84 -5.656 16.575 -10.151 1.00 0.00 C ATOM 559 CG PHE A 84 -6.003 17.399 -11.385 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.486 18.697 -11.584 1.00 0.00 C ATOM 561 CD2 PHE A 84 -6.866 16.853 -12.358 1.00 0.00 C ATOM 562 CE1 PHE A 84 -5.806 19.429 -12.737 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.198 17.591 -13.510 1.00 0.00 C ATOM 564 CZ PHE A 84 -6.664 18.879 -13.703 1.00 0.00 C ATOM 0 H PHE A 84 -5.164 15.448 -8.025 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.405 17.943 -9.040 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.809 15.934 -10.396 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.499 15.920 -9.931 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.836 19.132 -10.839 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -7.274 15.863 -12.218 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.392 20.416 -12.882 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.864 17.168 -14.247 1.00 0.00 H new ATOM 0 HZ PHE A 84 -6.913 19.442 -14.590 1.00 0.00 H new ATOM 574 N ASN A 85 -7.584 17.883 -8.051 1.00 0.00 N ATOM 575 CA ASN A 85 -8.743 18.746 -7.819 1.00 0.00 C ATOM 576 C ASN A 85 -8.536 19.692 -6.621 1.00 0.00 C ATOM 577 O ASN A 85 -8.927 20.861 -6.684 1.00 0.00 O ATOM 578 CB ASN A 85 -10.005 17.879 -7.666 1.00 0.00 C ATOM 579 CG ASN A 85 -11.198 18.570 -8.299 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.925 19.327 -7.674 1.00 0.00 O ATOM 581 ND2 ASN A 85 -11.396 18.351 -9.580 1.00 0.00 N ATOM 0 H ASN A 85 -7.737 16.904 -7.810 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.871 19.396 -8.685 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.847 16.908 -8.136 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.201 17.694 -6.610 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.164 18.816 -10.064 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.781 17.716 -10.090 1.00 0.00 H new ATOM 588 N GLU A 86 -7.858 19.218 -5.566 1.00 0.00 N ATOM 589 CA GLU A 86 -7.406 20.080 -4.471 1.00 0.00 C ATOM 590 C GLU A 86 -6.442 21.153 -4.988 1.00 0.00 C ATOM 591 O GLU A 86 -6.691 22.331 -4.743 1.00 0.00 O ATOM 592 CB GLU A 86 -6.779 19.260 -3.327 1.00 0.00 C ATOM 593 CG GLU A 86 -6.287 20.195 -2.210 1.00 0.00 C ATOM 594 CD GLU A 86 -5.878 19.480 -0.908 1.00 0.00 C ATOM 595 OE1 GLU A 86 -5.382 18.327 -0.943 1.00 0.00 O ATOM 596 OE2 GLU A 86 -6.015 20.114 0.169 1.00 0.00 O ATOM 0 H GLU A 86 -7.611 18.235 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.280 20.585 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.512 18.559 -2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.947 18.668 -3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.434 20.764 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.075 20.913 -1.982 1.00 0.00 H new ATOM 603 N TRP A 87 -5.395 20.789 -5.747 1.00 0.00 N ATOM 604 CA TRP A 87 -4.537 21.776 -6.396 1.00 0.00 C ATOM 605 C TRP A 87 -5.350 22.768 -7.235 1.00 0.00 C ATOM 606 O TRP A 87 -5.100 23.956 -7.125 1.00 0.00 O ATOM 607 CB TRP A 87 -3.472 21.093 -7.261 1.00 0.00 C ATOM 608 CG TRP A 87 -2.691 22.047 -8.113 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.583 22.716 -7.731 1.00 0.00 C ATOM 610 CD2 TRP A 87 -2.991 22.515 -9.467 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.174 23.564 -8.744 1.00 0.00 N ATOM 612 CE2 TRP A 87 -1.998 23.468 -9.841 1.00 0.00 C ATOM 613 CE3 TRP A 87 -4.003 22.237 -10.413 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -1.992 24.096 -11.092 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -4.028 22.889 -11.661 1.00 0.00 C ATOM 616 CH2 TRP A 87 -3.022 23.810 -12.002 1.00 0.00 C ATOM 0 H TRP A 87 -5.129 19.820 -5.922 1.00 0.00 H new ATOM 0 HA TRP A 87 -4.036 22.337 -5.607 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.784 20.549 -6.614 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.955 20.356 -7.903 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.089 22.606 -6.777 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.365 24.182 -8.685 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.769 21.514 -10.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.207 24.790 -11.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -4.824 22.680 -12.360 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.042 24.298 -12.965 1.00 0.00 H new ATOM 627 N GLU A 88 -6.337 22.330 -8.017 1.00 0.00 N ATOM 628 CA GLU A 88 -7.113 23.206 -8.903 1.00 0.00 C ATOM 629 C GLU A 88 -7.921 24.262 -8.119 1.00 0.00 C ATOM 630 O GLU A 88 -7.850 25.456 -8.431 1.00 0.00 O ATOM 631 CB GLU A 88 -7.994 22.328 -9.811 1.00 0.00 C ATOM 632 CG GLU A 88 -8.339 22.965 -11.162 1.00 0.00 C ATOM 633 CD GLU A 88 -9.550 23.920 -11.152 1.00 0.00 C ATOM 634 OE1 GLU A 88 -10.589 23.597 -10.528 1.00 0.00 O ATOM 635 OE2 GLU A 88 -9.507 24.933 -11.892 1.00 0.00 O ATOM 0 H GLU A 88 -6.624 21.352 -8.056 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.433 23.785 -9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.483 21.382 -9.989 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.920 22.096 -9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.468 23.514 -11.519 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.531 22.169 -11.882 1.00 0.00 H new ATOM 642 N GLU A 89 -8.599 23.860 -7.037 1.00 0.00 N ATOM 643 CA GLU A 89 -9.298 24.789 -6.135 1.00 0.00 C ATOM 644 C GLU A 89 -8.332 25.739 -5.397 1.00 0.00 C ATOM 645 O GLU A 89 -8.548 26.957 -5.367 1.00 0.00 O ATOM 646 CB GLU A 89 -10.131 23.992 -5.115 1.00 0.00 C ATOM 647 CG GLU A 89 -11.396 23.364 -5.712 1.00 0.00 C ATOM 648 CD GLU A 89 -12.500 24.418 -5.924 1.00 0.00 C ATOM 649 OE1 GLU A 89 -12.547 25.057 -7.004 1.00 0.00 O ATOM 650 OE2 GLU A 89 -13.333 24.622 -5.005 1.00 0.00 O ATOM 0 H GLU A 89 -8.680 22.882 -6.760 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.950 25.410 -6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.511 23.204 -4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.415 24.652 -4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.155 22.891 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.762 22.579 -5.050 1.00 0.00 H new ATOM 657 N ARG A 90 -7.234 25.206 -4.840 1.00 0.00 N ATOM 658 CA ARG A 90 -6.201 26.010 -4.161 1.00 0.00 C ATOM 659 C ARG A 90 -5.595 27.025 -5.125 1.00 0.00 C ATOM 660 O ARG A 90 -5.523 28.200 -4.800 1.00 0.00 O ATOM 661 CB ARG A 90 -5.078 25.114 -3.632 1.00 0.00 C ATOM 662 CG ARG A 90 -5.495 24.078 -2.584 1.00 0.00 C ATOM 663 CD ARG A 90 -5.343 24.543 -1.133 1.00 0.00 C ATOM 664 NE ARG A 90 -5.613 23.428 -0.202 1.00 0.00 N ATOM 665 CZ ARG A 90 -5.667 23.472 1.117 1.00 0.00 C ATOM 666 NH1 ARG A 90 -5.511 24.580 1.786 1.00 0.00 N ATOM 667 NH2 ARG A 90 -5.879 22.376 1.782 1.00 0.00 N ATOM 0 H ARG A 90 -7.035 24.206 -4.846 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.680 26.528 -3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.628 24.590 -4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.304 25.749 -3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.536 23.804 -2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.900 23.176 -2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.335 24.924 -0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.030 25.365 -0.934 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.777 22.516 -0.628 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.340 25.455 1.291 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.560 24.572 2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.002 21.494 1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.923 22.398 2.801 1.00 0.00 H new ATOM 681 N LYS A 91 -5.214 26.576 -6.323 1.00 0.00 N ATOM 682 CA LYS A 91 -4.648 27.386 -7.419 1.00 0.00 C ATOM 683 C LYS A 91 -5.587 28.528 -7.834 1.00 0.00 C ATOM 684 O LYS A 91 -5.122 29.656 -8.000 1.00 0.00 O ATOM 685 CB LYS A 91 -4.303 26.473 -8.617 1.00 0.00 C ATOM 686 CG LYS A 91 -3.482 27.143 -9.724 1.00 0.00 C ATOM 687 CD LYS A 91 -2.030 27.398 -9.288 1.00 0.00 C ATOM 688 CE LYS A 91 -1.176 27.800 -10.498 1.00 0.00 C ATOM 689 NZ LYS A 91 0.259 27.961 -10.135 1.00 0.00 N ATOM 0 H LYS A 91 -5.293 25.590 -6.573 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.732 27.856 -7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.751 25.608 -8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.231 26.099 -9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.488 26.512 -10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.949 28.088 -10.001 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.002 28.186 -8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.619 26.501 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.271 27.043 -11.277 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.552 28.735 -10.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.805 28.216 -10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.355 28.712 -9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.621 27.067 -9.746 1.00 0.00 H new ATOM 703 N LYS A 92 -6.901 28.273 -7.932 1.00 0.00 N ATOM 704 CA LYS A 92 -7.920 29.326 -8.124 1.00 0.00 C ATOM 705 C LYS A 92 -7.920 30.359 -6.983 1.00 0.00 C ATOM 706 O LYS A 92 -7.961 31.558 -7.261 1.00 0.00 O ATOM 707 CB LYS A 92 -9.318 28.703 -8.268 1.00 0.00 C ATOM 708 CG LYS A 92 -9.570 28.087 -9.653 1.00 0.00 C ATOM 709 CD LYS A 92 -10.793 27.156 -9.654 1.00 0.00 C ATOM 710 CE LYS A 92 -12.089 27.834 -9.183 1.00 0.00 C ATOM 711 NZ LYS A 92 -13.185 26.841 -9.012 1.00 0.00 N ATOM 0 H LYS A 92 -7.291 27.332 -7.881 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.660 29.853 -9.042 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.445 27.933 -7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.070 29.468 -8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -9.720 28.883 -10.382 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.688 27.528 -9.967 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.942 26.769 -10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.587 26.300 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -11.911 28.349 -8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.390 28.591 -9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.098 27.337 -8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.190 26.187 -9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -13.034 26.305 -8.134 1.00 0.00 H new ATOM 725 N SER A 93 -7.852 29.920 -5.722 1.00 0.00 N ATOM 726 CA SER A 93 -7.849 30.826 -4.555 1.00 0.00 C ATOM 727 C SER A 93 -6.507 31.537 -4.279 1.00 0.00 C ATOM 728 O SER A 93 -6.498 32.646 -3.741 1.00 0.00 O ATOM 729 CB SER A 93 -8.267 30.060 -3.294 1.00 0.00 C ATOM 730 OG SER A 93 -9.609 29.603 -3.417 1.00 0.00 O ATOM 0 H SER A 93 -7.797 28.932 -5.476 1.00 0.00 H new ATOM 0 HA SER A 93 -8.563 31.609 -4.809 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.600 29.212 -3.137 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.174 30.705 -2.420 1.00 0.00 H new ATOM 0 HG SER A 93 -9.864 29.114 -2.607 1.00 0.00 H new ATOM 736 N ASP A 94 -5.379 30.922 -4.638 1.00 0.00 N ATOM 737 CA ASP A 94 -4.006 31.278 -4.271 1.00 0.00 C ATOM 738 C ASP A 94 -3.039 30.821 -5.396 1.00 0.00 C ATOM 739 O ASP A 94 -2.785 29.624 -5.555 1.00 0.00 O ATOM 740 CB ASP A 94 -3.624 30.609 -2.939 1.00 0.00 C ATOM 741 CG ASP A 94 -4.339 31.242 -1.734 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.927 32.349 -1.306 1.00 0.00 O ATOM 743 OD2 ASP A 94 -5.283 30.625 -1.181 1.00 0.00 O ATOM 0 H ASP A 94 -5.403 30.098 -5.239 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.933 32.359 -4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.869 29.548 -2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.546 30.681 -2.796 1.00 0.00 H new ATOM 748 N PRO A 95 -2.480 31.749 -6.198 1.00 0.00 N ATOM 749 CA PRO A 95 -1.901 31.450 -7.516 1.00 0.00 C ATOM 750 C PRO A 95 -0.555 30.710 -7.511 1.00 0.00 C ATOM 751 O PRO A 95 -0.142 30.195 -8.547 1.00 0.00 O ATOM 752 CB PRO A 95 -1.784 32.817 -8.209 1.00 0.00 C ATOM 753 CG PRO A 95 -1.670 33.799 -7.045 1.00 0.00 C ATOM 754 CD PRO A 95 -2.616 33.183 -6.023 1.00 0.00 C ATOM 0 HA PRO A 95 -2.548 30.743 -8.036 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.911 32.863 -8.860 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.655 33.029 -8.829 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.650 33.869 -6.668 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.975 34.806 -7.329 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.351 33.483 -5.009 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.643 33.505 -6.192 1.00 0.00 H new ATOM 762 N TRP A 96 0.154 30.635 -6.381 1.00 0.00 N ATOM 763 CA TRP A 96 1.528 30.109 -6.315 1.00 0.00 C ATOM 764 C TRP A 96 1.665 28.587 -6.516 1.00 0.00 C ATOM 765 O TRP A 96 2.739 28.125 -6.908 1.00 0.00 O ATOM 766 CB TRP A 96 2.137 30.488 -4.956 1.00 0.00 C ATOM 767 CG TRP A 96 1.629 29.688 -3.792 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.418 29.826 -3.207 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.278 28.578 -3.094 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.278 28.901 -2.190 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.398 28.103 -2.078 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.518 27.916 -3.230 1.00 0.00 C ATOM 773 CZ2 TRP A 96 1.736 27.042 -1.224 1.00 0.00 C ATOM 774 CZ3 TRP A 96 3.865 26.844 -2.386 1.00 0.00 C ATOM 775 CH2 TRP A 96 2.979 26.407 -1.383 1.00 0.00 C ATOM 0 H TRP A 96 -0.209 30.939 -5.477 1.00 0.00 H new ATOM 0 HA TRP A 96 2.057 30.562 -7.153 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.219 30.372 -5.014 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.940 31.543 -4.767 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.329 30.552 -3.492 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.548 28.819 -1.598 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.211 28.237 -3.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.050 26.718 -0.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.819 26.353 -2.509 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.254 25.586 -0.738 1.00 0.00 H new ATOM 786 N LEU A 97 0.620 27.799 -6.223 1.00 0.00 N ATOM 787 CA LEU A 97 0.773 26.367 -5.924 1.00 0.00 C ATOM 788 C LEU A 97 1.225 25.519 -7.136 1.00 0.00 C ATOM 789 O LEU A 97 0.779 25.751 -8.265 1.00 0.00 O ATOM 790 CB LEU A 97 -0.548 25.847 -5.317 1.00 0.00 C ATOM 791 CG LEU A 97 -0.456 24.474 -4.618 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.392 24.510 -3.347 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.857 24.023 -4.234 1.00 0.00 C ATOM 0 H LEU A 97 -0.344 28.131 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 97 1.583 26.259 -5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.911 26.580 -4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.293 25.784 -6.110 1.00 0.00 H new ATOM 0 HG LEU A 97 0.018 23.788 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.420 23.516 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.406 24.825 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.044 25.215 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.804 23.053 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.301 24.752 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.471 23.940 -5.131 1.00 0.00 H new ATOM 805 N ARG A 98 2.027 24.472 -6.893 1.00 0.00 N ATOM 806 CA ARG A 98 2.466 23.457 -7.879 1.00 0.00 C ATOM 807 C ARG A 98 1.804 22.087 -7.614 1.00 0.00 C ATOM 808 O ARG A 98 1.562 21.727 -6.462 1.00 0.00 O ATOM 809 CB ARG A 98 4.009 23.390 -7.832 1.00 0.00 C ATOM 810 CG ARG A 98 4.684 22.504 -8.897 1.00 0.00 C ATOM 811 CD ARG A 98 4.470 22.961 -10.348 1.00 0.00 C ATOM 812 NE ARG A 98 5.023 24.311 -10.592 1.00 0.00 N ATOM 813 CZ ARG A 98 4.673 25.154 -11.547 1.00 0.00 C ATOM 814 NH1 ARG A 98 3.730 24.896 -12.407 1.00 0.00 N ATOM 815 NH2 ARG A 98 5.266 26.304 -11.677 1.00 0.00 N ATOM 0 H ARG A 98 2.408 24.296 -5.963 1.00 0.00 H new ATOM 0 HA ARG A 98 2.149 23.741 -8.883 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.399 24.403 -7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.306 23.029 -6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.755 22.471 -8.696 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.309 21.486 -8.793 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.941 22.249 -11.025 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.404 22.960 -10.575 1.00 0.00 H new ATOM 0 HE ARG A 98 5.754 24.625 -9.954 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.226 24.011 -12.361 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.496 25.579 -13.127 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.014 26.567 -11.036 1.00 0.00 H new ATOM 0 HH22 ARG A 98 4.983 26.943 -12.420 1.00 0.00 H new ATOM 829 N LEU A 99 1.496 21.340 -8.680 1.00 0.00 N ATOM 830 CA LEU A 99 0.811 20.036 -8.651 1.00 0.00 C ATOM 831 C LEU A 99 1.850 18.889 -8.748 1.00 0.00 C ATOM 832 O LEU A 99 2.594 18.820 -9.729 1.00 0.00 O ATOM 833 CB LEU A 99 -0.196 20.032 -9.830 1.00 0.00 C ATOM 834 CG LEU A 99 -1.384 19.046 -9.805 1.00 0.00 C ATOM 835 CD1 LEU A 99 -2.011 18.991 -11.198 1.00 0.00 C ATOM 836 CD2 LEU A 99 -1.001 17.640 -9.422 1.00 0.00 C ATOM 0 H LEU A 99 1.726 21.637 -9.628 1.00 0.00 H new ATOM 0 HA LEU A 99 0.273 19.878 -7.717 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.607 21.038 -9.913 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.369 19.842 -10.743 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.074 19.418 -9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.852 18.297 -11.192 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.362 19.984 -11.478 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.267 18.653 -11.919 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.888 17.007 -9.427 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.275 17.253 -10.137 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.562 17.641 -8.424 1.00 0.00 H new ATOM 848 N ASP A 100 1.890 17.976 -7.767 1.00 0.00 N ATOM 849 CA ASP A 100 2.761 16.779 -7.766 1.00 0.00 C ATOM 850 C ASP A 100 2.014 15.525 -7.268 1.00 0.00 C ATOM 851 O ASP A 100 1.518 15.501 -6.140 1.00 0.00 O ATOM 852 CB ASP A 100 4.007 17.030 -6.901 1.00 0.00 C ATOM 853 CG ASP A 100 4.989 18.023 -7.546 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.718 17.622 -8.486 1.00 0.00 O ATOM 855 OD2 ASP A 100 5.071 19.189 -7.086 1.00 0.00 O ATOM 0 H ASP A 100 1.308 18.045 -6.932 1.00 0.00 H new ATOM 0 HA ASP A 100 3.066 16.594 -8.796 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.698 17.412 -5.928 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.518 16.084 -6.724 1.00 0.00 H new ATOM 860 N MET A 101 1.922 14.480 -8.107 1.00 0.00 N ATOM 861 CA MET A 101 1.171 13.236 -7.819 1.00 0.00 C ATOM 862 C MET A 101 1.690 12.013 -8.601 1.00 0.00 C ATOM 863 O MET A 101 0.949 11.310 -9.292 1.00 0.00 O ATOM 864 CB MET A 101 -0.358 13.458 -7.934 1.00 0.00 C ATOM 865 CG MET A 101 -0.832 14.482 -8.964 1.00 0.00 C ATOM 866 SD MET A 101 -0.555 14.086 -10.709 1.00 0.00 S ATOM 867 CE MET A 101 -2.084 14.759 -11.419 1.00 0.00 C ATOM 0 H MET A 101 2.374 14.471 -9.022 1.00 0.00 H new ATOM 0 HA MET A 101 1.363 12.981 -6.777 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.823 12.501 -8.169 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.731 13.763 -6.956 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.901 14.638 -8.818 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.339 15.430 -8.750 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.178 14.433 -12.455 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.940 14.400 -10.847 1.00 0.00 H new ATOM 0 HE3 MET A 101 -2.054 15.848 -11.382 1.00 0.00 H new ATOM 877 N SER A 102 2.988 11.741 -8.452 1.00 0.00 N ATOM 878 CA SER A 102 3.592 10.438 -8.784 1.00 0.00 C ATOM 879 C SER A 102 3.069 9.337 -7.849 1.00 0.00 C ATOM 880 O SER A 102 2.658 9.617 -6.720 1.00 0.00 O ATOM 881 CB SER A 102 5.121 10.560 -8.698 1.00 0.00 C ATOM 882 OG SER A 102 5.753 9.333 -9.032 1.00 0.00 O ATOM 0 H SER A 102 3.659 12.421 -8.095 1.00 0.00 H new ATOM 0 HA SER A 102 3.312 10.157 -9.799 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.464 11.345 -9.372 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.409 10.858 -7.690 1.00 0.00 H new ATOM 0 HG SER A 102 6.725 9.439 -8.971 1.00 0.00 H new ATOM 888 N ASP A 103 3.123 8.070 -8.264 1.00 0.00 N ATOM 889 CA ASP A 103 2.683 6.933 -7.441 1.00 0.00 C ATOM 890 C ASP A 103 3.367 6.898 -6.059 1.00 0.00 C ATOM 891 O ASP A 103 2.707 6.607 -5.064 1.00 0.00 O ATOM 892 CB ASP A 103 2.856 5.616 -8.213 1.00 0.00 C ATOM 893 CG ASP A 103 4.310 5.331 -8.630 1.00 0.00 C ATOM 894 OD1 ASP A 103 5.070 4.725 -7.838 1.00 0.00 O ATOM 895 OD2 ASP A 103 4.689 5.690 -9.770 1.00 0.00 O ATOM 0 H ASP A 103 3.474 7.799 -9.183 1.00 0.00 H new ATOM 0 HA ASP A 103 1.621 7.066 -7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.496 4.793 -7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.230 5.643 -9.105 1.00 0.00 H new ATOM 900 N LYS A 104 4.626 7.356 -5.961 1.00 0.00 N ATOM 901 CA LYS A 104 5.337 7.552 -4.683 1.00 0.00 C ATOM 902 C LYS A 104 4.642 8.577 -3.772 1.00 0.00 C ATOM 903 O LYS A 104 4.498 8.326 -2.578 1.00 0.00 O ATOM 904 CB LYS A 104 6.798 7.963 -4.953 1.00 0.00 C ATOM 905 CG LYS A 104 7.586 6.878 -5.704 1.00 0.00 C ATOM 906 CD LYS A 104 9.054 7.293 -5.888 1.00 0.00 C ATOM 907 CE LYS A 104 9.854 6.297 -6.744 1.00 0.00 C ATOM 908 NZ LYS A 104 10.073 4.989 -6.061 1.00 0.00 N ATOM 0 H LYS A 104 5.187 7.604 -6.776 1.00 0.00 H new ATOM 0 HA LYS A 104 5.321 6.601 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.811 8.885 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.293 8.177 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.536 5.939 -5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.130 6.700 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.092 8.278 -6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.526 7.385 -4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.327 6.127 -7.683 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.820 6.736 -6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.617 4.359 -6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.601 5.142 -5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.154 4.553 -5.844 1.00 0.00 H new ATOM 922 N ALA A 105 4.147 9.689 -4.329 1.00 0.00 N ATOM 923 CA ALA A 105 3.356 10.681 -3.595 1.00 0.00 C ATOM 924 C ALA A 105 2.012 10.109 -3.139 1.00 0.00 C ATOM 925 O ALA A 105 1.588 10.355 -2.009 1.00 0.00 O ATOM 926 CB ALA A 105 3.200 11.942 -4.456 1.00 0.00 C ATOM 0 H ALA A 105 4.286 9.927 -5.311 1.00 0.00 H new ATOM 0 HA ALA A 105 3.883 10.955 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.612 12.682 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.184 12.353 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.693 11.687 -5.386 1.00 0.00 H new ATOM 932 N ILE A 106 1.373 9.279 -3.974 1.00 0.00 N ATOM 933 CA ILE A 106 0.100 8.632 -3.601 1.00 0.00 C ATOM 934 C ILE A 106 0.323 7.643 -2.463 1.00 0.00 C ATOM 935 O ILE A 106 -0.392 7.708 -1.470 1.00 0.00 O ATOM 936 CB ILE A 106 -0.605 8.003 -4.828 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.369 9.082 -5.620 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.619 6.908 -4.437 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.471 10.143 -6.249 1.00 0.00 C ATOM 0 H ILE A 106 1.710 9.039 -4.906 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.585 9.395 -3.232 1.00 0.00 H new ATOM 0 HB ILE A 106 0.185 7.554 -5.430 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.949 8.599 -6.406 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.080 9.571 -4.955 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.082 6.503 -5.337 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.104 6.109 -3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.388 7.337 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.084 10.865 -6.788 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.090 10.655 -5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.224 9.668 -6.942 1.00 0.00 H new ATOM 951 N PHE A 107 1.338 6.787 -2.548 1.00 0.00 N ATOM 952 CA PHE A 107 1.604 5.803 -1.490 1.00 0.00 C ATOM 953 C PHE A 107 2.071 6.464 -0.177 1.00 0.00 C ATOM 954 O PHE A 107 1.732 5.984 0.904 1.00 0.00 O ATOM 955 CB PHE A 107 2.608 4.739 -1.954 1.00 0.00 C ATOM 956 CG PHE A 107 2.291 4.040 -3.264 1.00 0.00 C ATOM 957 CD1 PHE A 107 0.959 3.755 -3.619 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.336 3.645 -4.121 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.671 3.106 -4.829 1.00 0.00 C ATOM 960 CE2 PHE A 107 3.047 2.990 -5.331 1.00 0.00 C ATOM 961 CZ PHE A 107 1.715 2.720 -5.687 1.00 0.00 C ATOM 0 H PHE A 107 1.989 6.751 -3.332 1.00 0.00 H new ATOM 0 HA PHE A 107 0.656 5.308 -1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.587 5.209 -2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.690 3.982 -1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.154 4.037 -2.956 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.362 3.846 -3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.354 2.903 -5.101 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.851 2.694 -5.988 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.494 2.217 -6.617 1.00 0.00 H new ATOM 971 N ARG A 108 2.796 7.595 -0.250 1.00 0.00 N ATOM 972 CA ARG A 108 3.207 8.379 0.931 1.00 0.00 C ATOM 973 C ARG A 108 2.022 9.069 1.624 1.00 0.00 C ATOM 974 O ARG A 108 1.947 9.054 2.853 1.00 0.00 O ATOM 975 CB ARG A 108 4.310 9.372 0.522 1.00 0.00 C ATOM 976 CG ARG A 108 4.975 10.040 1.735 1.00 0.00 C ATOM 977 CD ARG A 108 6.143 10.937 1.305 1.00 0.00 C ATOM 978 NE ARG A 108 6.870 11.468 2.478 1.00 0.00 N ATOM 979 CZ ARG A 108 6.610 12.563 3.171 1.00 0.00 C ATOM 980 NH1 ARG A 108 5.616 13.357 2.881 1.00 0.00 N ATOM 981 NH2 ARG A 108 7.357 12.885 4.189 1.00 0.00 N ATOM 0 H ARG A 108 3.115 7.993 -1.133 1.00 0.00 H new ATOM 0 HA ARG A 108 3.612 7.696 1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.067 8.849 -0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 108 3.883 10.140 -0.124 1.00 0.00 H new ATOM 0 HG2 ARG A 108 4.238 10.633 2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 108 5.335 9.275 2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.828 10.369 0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 108 5.767 11.764 0.702 1.00 0.00 H new ATOM 0 HE ARG A 108 7.672 10.921 2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 108 5.005 13.142 2.093 1.00 0.00 H new ATOM 0 HH12 ARG A 108 5.450 14.193 3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 108 8.144 12.292 4.452 1.00 0.00 H new ATOM 0 HH22 ARG A 108 7.155 13.730 4.723 1.00 0.00 H new ATOM 995 N ARG A 109 1.078 9.627 0.851 1.00 0.00 N ATOM 996 CA ARG A 109 -0.168 10.233 1.374 1.00 0.00 C ATOM 997 C ARG A 109 -1.173 9.185 1.875 1.00 0.00 C ATOM 998 O ARG A 109 -1.827 9.396 2.896 1.00 0.00 O ATOM 999 CB ARG A 109 -0.820 11.089 0.277 1.00 0.00 C ATOM 1000 CG ARG A 109 -0.087 12.418 0.044 1.00 0.00 C ATOM 1001 CD ARG A 109 -0.648 13.112 -1.201 1.00 0.00 C ATOM 1002 NE ARG A 109 -0.134 14.492 -1.328 1.00 0.00 N ATOM 1003 CZ ARG A 109 -0.721 15.612 -0.936 1.00 0.00 C ATOM 1004 NH1 ARG A 109 -1.888 15.621 -0.355 1.00 0.00 N ATOM 1005 NH2 ARG A 109 -0.137 16.759 -1.127 1.00 0.00 N ATOM 0 H ARG A 109 1.154 9.674 -0.165 1.00 0.00 H new ATOM 0 HA ARG A 109 0.106 10.850 2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.841 10.523 -0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.855 11.293 0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.202 13.064 0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 109 0.981 12.237 -0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.381 12.540 -2.089 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -1.737 13.131 -1.149 1.00 0.00 H new ATOM 0 HE ARG A 109 0.780 14.593 -1.769 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -2.381 14.744 -0.188 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -2.308 16.505 -0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 109 0.776 16.797 -1.580 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -0.592 17.620 -0.824 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.282 8.070 1.154 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.331 7.060 1.281 1.00 0.00 C ATOM 1021 C TYR A 110 -1.703 5.644 1.299 1.00 0.00 C ATOM 1022 O TYR A 110 -1.591 4.991 0.254 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.331 7.256 0.127 1.00 0.00 C ATOM 1024 CG TYR A 110 -3.841 8.674 -0.075 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -4.681 9.271 0.883 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.472 9.391 -1.228 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.166 10.580 0.680 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -3.962 10.696 -1.439 1.00 0.00 C ATOM 1029 CZ TYR A 110 -4.810 11.294 -0.485 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.266 12.560 -0.693 1.00 0.00 O ATOM 0 H TYR A 110 -0.606 7.835 0.428 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.871 7.169 2.222 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.858 6.925 -0.798 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.187 6.603 0.299 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -4.955 8.727 1.775 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -2.811 8.940 -1.954 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -5.810 11.037 1.417 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.687 11.238 -2.332 1.00 0.00 H new ATOM 0 HH TYR A 110 -4.919 12.897 -1.546 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.258 5.147 2.470 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.416 3.945 2.568 1.00 0.00 C ATOM 1042 C PRO A 111 -1.129 2.632 2.203 1.00 0.00 C ATOM 1043 O PRO A 111 -0.467 1.621 1.968 1.00 0.00 O ATOM 1044 CB PRO A 111 0.107 3.936 4.010 1.00 0.00 C ATOM 1045 CG PRO A 111 -0.968 4.692 4.787 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.418 5.753 3.787 1.00 0.00 C ATOM 0 HA PRO A 111 0.387 3.994 1.833 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.233 2.920 4.385 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.077 4.426 4.088 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.789 4.039 5.082 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.571 5.137 5.699 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.454 6.041 3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.816 6.657 3.878 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.465 2.635 2.110 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.268 1.475 1.710 1.00 0.00 C ATOM 1056 C HIS A 112 -3.264 1.195 0.189 1.00 0.00 C ATOM 1057 O HIS A 112 -3.754 0.141 -0.223 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.683 1.633 2.278 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.489 2.749 1.670 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.234 4.116 1.815 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.578 2.580 0.869 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.192 4.735 1.105 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -7.021 3.840 0.546 1.00 0.00 N ATOM 0 H HIS A 112 -3.028 3.461 2.315 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.803 0.585 2.134 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.222 0.696 2.137 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.611 1.800 3.353 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -7.008 1.642 0.551 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.282 5.806 0.999 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.840 4.058 -0.022 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.710 2.092 -0.646 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.686 1.920 -2.114 1.00 0.00 C ATOM 1073 C LEU A 113 -1.493 1.087 -2.629 1.00 0.00 C ATOM 1074 O LEU A 113 -1.642 0.429 -3.664 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.754 3.285 -2.846 1.00 0.00 C ATOM 1076 CG LEU A 113 -4.135 3.956 -2.981 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -5.178 3.092 -3.684 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.714 4.304 -1.631 1.00 0.00 C ATOM 0 H LEU A 113 -2.268 2.954 -0.326 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.582 1.346 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.093 3.978 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.347 3.149 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.938 4.844 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.122 3.634 -3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.835 2.856 -4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.323 2.168 -3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.688 4.775 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.828 3.396 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.045 4.992 -1.115 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.334 1.098 -1.944 1.00 0.00 N ATOM 1091 CA ARG A 114 0.856 0.319 -2.343 1.00 0.00 C ATOM 1092 C ARG A 114 0.625 -1.202 -2.284 1.00 0.00 C ATOM 1093 O ARG A 114 0.945 -1.892 -3.281 1.00 0.00 O ATOM 1094 CB ARG A 114 2.072 0.744 -1.505 1.00 0.00 C ATOM 1095 CG ARG A 114 3.387 0.235 -2.120 1.00 0.00 C ATOM 1096 CD ARG A 114 4.623 0.778 -1.390 1.00 0.00 C ATOM 1097 NE ARG A 114 4.737 0.254 -0.013 1.00 0.00 N ATOM 1098 CZ ARG A 114 5.686 0.538 0.860 1.00 0.00 C ATOM 1099 NH1 ARG A 114 6.659 1.358 0.588 1.00 0.00 N ATOM 1100 NH2 ARG A 114 5.671 -0.006 2.042 1.00 0.00 N ATOM 1101 OXT ARG A 114 0.145 -1.712 -1.244 1.00 0.00 O ATOM 0 H ARG A 114 -0.195 1.648 -1.096 1.00 0.00 H new ATOM 0 HA ARG A 114 1.058 0.545 -3.390 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.101 1.831 -1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.970 0.357 -0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.401 -0.855 -2.091 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.431 0.526 -3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.519 0.514 -1.952 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.575 1.867 -1.359 1.00 0.00 H new ATOM 0 HE ARG A 114 4.010 -0.392 0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.707 1.807 -0.327 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.374 1.552 1.289 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.925 -0.654 2.296 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.405 0.215 2.715 1.00 0.00 H new TER 1115 ARG A 114