USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 837 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 33 TYR OH : rot -55:sc= -0.0405 USER MOD Set 1.2: A 70 HIS : no HD1:sc= 0.985 K(o=0.94,f=-6.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= -2.2! (180deg=-3.09!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.418 X(o=-0.42,f=0.062) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.6!) USER MOD Single : A 23 LYS NZ :NH3+ -150:sc= 0.552 (180deg=-1.19!) USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 27 TYR OH : rot -20:sc= -0.714 USER MOD Single : A 32 MET CE :methyl -163:sc= 0 (180deg=-0.0727) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.345 X(o=-0.34,f=-0.09) USER MOD Single : A 36 THR OG1 : rot 16:sc= 0.574 USER MOD Single : A 37 MET CE :methyl 160:sc= -0.608 (180deg=-1.49) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.14 K(o=-1.1,f=-6.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 74 TYR OH : rot 77:sc= 0.958 USER MOD Single : A 76 GLN : amide:sc= -0.0274 K(o=-0.027,f=-0.87) USER MOD Single : A 78 THR OG1 : rot 180:sc= -2.06! USER MOD Single : B 99 SER OG : rot 180:sc= 0 USER MOD Single : B 102 LYS NZ :NH3+ 166:sc= -0.0209 (180deg=-0.195) USER MOD Single : B 108 TYR OH : rot 180:sc= -0.81 USER MOD Single : B 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.604 7.208 2.799 1.00 0.00 N ATOM 2 CA MET A 1 -15.182 7.833 4.080 1.00 0.00 C ATOM 3 C MET A 1 -15.631 6.999 5.275 1.00 0.00 C ATOM 4 O MET A 1 -16.276 7.507 6.194 1.00 0.00 O ATOM 5 CB MET A 1 -15.785 9.239 4.157 1.00 0.00 C ATOM 6 CG MET A 1 -14.899 10.314 3.547 1.00 0.00 C ATOM 7 SD MET A 1 -15.772 11.872 3.296 1.00 0.00 S ATOM 8 CE MET A 1 -14.899 12.523 1.875 1.00 0.00 C ATOM 0 H1 MET A 1 -15.680 7.940 2.064 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.900 6.499 2.510 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.528 6.747 2.925 1.00 0.00 H new ATOM 0 HA MET A 1 -14.094 7.888 4.111 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.748 9.241 3.647 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.977 9.487 5.201 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.040 10.484 4.196 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.511 9.961 2.591 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.324 13.487 1.597 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.845 12.649 2.122 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.996 11.830 1.040 1.00 0.00 H new ATOM 20 N ASP A 2 -15.286 5.717 5.257 1.00 0.00 N ATOM 21 CA ASP A 2 -15.653 4.810 6.337 1.00 0.00 C ATOM 22 C ASP A 2 -14.784 3.557 6.315 1.00 0.00 C ATOM 23 O ASP A 2 -13.937 3.392 5.435 1.00 0.00 O ATOM 24 CB ASP A 2 -17.129 4.422 6.228 1.00 0.00 C ATOM 25 CG ASP A 2 -18.041 5.430 6.899 1.00 0.00 C ATOM 26 OD1 ASP A 2 -17.673 5.938 7.979 1.00 0.00 O ATOM 27 OD2 ASP A 2 -19.125 5.710 6.345 1.00 0.00 O ATOM 0 H ASP A 2 -14.752 5.282 4.505 1.00 0.00 H new ATOM 0 HA ASP A 2 -15.489 5.328 7.282 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -17.402 4.332 5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -17.279 3.442 6.681 1.00 0.00 H new ATOM 32 N ARG A 3 -14.999 2.675 7.284 1.00 0.00 N ATOM 33 CA ARG A 3 -14.235 1.436 7.374 1.00 0.00 C ATOM 34 C ARG A 3 -14.602 0.491 6.234 1.00 0.00 C ATOM 35 O ARG A 3 -13.749 -0.220 5.703 1.00 0.00 O ATOM 36 CB ARG A 3 -14.479 0.755 8.724 1.00 0.00 C ATOM 37 CG ARG A 3 -13.222 0.612 9.567 1.00 0.00 C ATOM 38 CD ARG A 3 -13.270 1.503 10.798 1.00 0.00 C ATOM 39 NE ARG A 3 -12.262 1.124 11.785 1.00 0.00 N ATOM 40 CZ ARG A 3 -11.853 1.920 12.771 1.00 0.00 C ATOM 41 NH1 ARG A 3 -12.365 3.137 12.907 1.00 0.00 N ATOM 42 NH2 ARG A 3 -10.929 1.498 13.622 1.00 0.00 N ATOM 0 H ARG A 3 -15.696 2.795 8.019 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.176 1.682 7.291 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -15.218 1.329 9.283 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.906 -0.233 8.552 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.105 -0.427 9.874 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.349 0.867 8.966 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.115 2.540 10.501 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.260 1.445 11.250 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.847 0.195 11.715 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.076 3.467 12.254 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -12.048 3.742 13.664 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.532 0.564 13.521 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.615 2.107 14.378 1.00 0.00 H new ATOM 56 N LYS A 4 -15.878 0.490 5.863 1.00 0.00 N ATOM 57 CA LYS A 4 -16.359 -0.365 4.785 1.00 0.00 C ATOM 58 C LYS A 4 -15.734 0.037 3.454 1.00 0.00 C ATOM 59 O LYS A 4 -15.449 -0.811 2.608 1.00 0.00 O ATOM 60 CB LYS A 4 -17.884 -0.291 4.689 1.00 0.00 C ATOM 61 CG LYS A 4 -18.602 -1.059 5.787 1.00 0.00 C ATOM 62 CD LYS A 4 -19.681 -1.968 5.222 1.00 0.00 C ATOM 63 CE LYS A 4 -19.127 -3.341 4.873 1.00 0.00 C ATOM 64 NZ LYS A 4 -20.211 -4.319 4.580 1.00 0.00 N ATOM 0 H LYS A 4 -16.597 1.072 6.293 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.066 -1.391 5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.192 0.754 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.198 -0.680 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.881 -1.654 6.347 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.049 -0.356 6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.487 -2.074 5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.113 -1.512 4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.469 -3.258 4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.520 -3.709 5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.792 -5.242 4.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.824 -4.418 5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.775 -3.981 3.774 1.00 0.00 H new ATOM 78 N VAL A 5 -15.522 1.337 3.276 1.00 0.00 N ATOM 79 CA VAL A 5 -14.931 1.853 2.049 1.00 0.00 C ATOM 80 C VAL A 5 -13.524 1.305 1.842 1.00 0.00 C ATOM 81 O VAL A 5 -13.102 1.060 0.711 1.00 0.00 O ATOM 82 CB VAL A 5 -14.872 3.393 2.056 1.00 0.00 C ATOM 83 CG1 VAL A 5 -14.403 3.919 0.708 1.00 0.00 C ATOM 84 CG2 VAL A 5 -16.227 3.979 2.423 1.00 0.00 C ATOM 0 H VAL A 5 -15.751 2.052 3.967 1.00 0.00 H new ATOM 0 HA VAL A 5 -15.571 1.524 1.230 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.150 3.705 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -14.368 5.008 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.408 3.530 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -15.096 3.597 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -16.165 5.067 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -16.972 3.658 1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -16.517 3.633 3.415 1.00 0.00 H new ATOM 94 N ALA A 6 -12.801 1.118 2.939 1.00 0.00 N ATOM 95 CA ALA A 6 -11.440 0.601 2.873 1.00 0.00 C ATOM 96 C ALA A 6 -11.425 -0.851 2.431 1.00 0.00 C ATOM 97 O ALA A 6 -10.707 -1.221 1.504 1.00 0.00 O ATOM 98 CB ALA A 6 -10.751 0.747 4.220 1.00 0.00 C ATOM 0 H ALA A 6 -13.133 1.316 3.883 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.895 1.186 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.736 0.356 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.717 1.800 4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.306 0.189 4.975 1.00 0.00 H new ATOM 104 N ARG A 7 -12.224 -1.669 3.093 1.00 0.00 N ATOM 105 CA ARG A 7 -12.306 -3.082 2.757 1.00 0.00 C ATOM 106 C ARG A 7 -12.857 -3.262 1.351 1.00 0.00 C ATOM 107 O ARG A 7 -12.566 -4.251 0.685 1.00 0.00 O ATOM 108 CB ARG A 7 -13.182 -3.825 3.769 1.00 0.00 C ATOM 109 CG ARG A 7 -12.489 -5.009 4.423 1.00 0.00 C ATOM 110 CD ARG A 7 -12.496 -4.892 5.939 1.00 0.00 C ATOM 111 NE ARG A 7 -13.850 -4.721 6.463 1.00 0.00 N ATOM 112 CZ ARG A 7 -14.153 -3.966 7.519 1.00 0.00 C ATOM 113 NH1 ARG A 7 -13.201 -3.323 8.185 1.00 0.00 N ATOM 114 NH2 ARG A 7 -15.415 -3.858 7.911 1.00 0.00 N ATOM 0 H ARG A 7 -12.825 -1.381 3.865 1.00 0.00 H new ATOM 0 HA ARG A 7 -11.301 -3.503 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -13.498 -3.127 4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.084 -4.175 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -12.986 -5.932 4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -11.461 -5.072 4.067 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -12.047 -5.785 6.375 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.879 -4.046 6.241 1.00 0.00 H new ATOM 0 HE ARG A 7 -14.611 -5.210 5.991 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -12.228 -3.404 7.890 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -13.443 -2.748 8.992 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -16.150 -4.352 7.405 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -15.651 -3.281 8.719 1.00 0.00 H new ATOM 128 N GLU A 8 -13.649 -2.295 0.902 1.00 0.00 N ATOM 129 CA GLU A 8 -14.230 -2.358 -0.431 1.00 0.00 C ATOM 130 C GLU A 8 -13.162 -2.148 -1.492 1.00 0.00 C ATOM 131 O GLU A 8 -13.048 -2.932 -2.437 1.00 0.00 O ATOM 132 CB GLU A 8 -15.345 -1.321 -0.584 1.00 0.00 C ATOM 133 CG GLU A 8 -16.675 -1.914 -1.019 1.00 0.00 C ATOM 134 CD GLU A 8 -16.666 -2.362 -2.468 1.00 0.00 C ATOM 135 OE1 GLU A 8 -16.171 -1.596 -3.322 1.00 0.00 O ATOM 136 OE2 GLU A 8 -17.152 -3.478 -2.748 1.00 0.00 O ATOM 0 H GLU A 8 -13.901 -1.465 1.438 1.00 0.00 H new ATOM 0 HA GLU A 8 -14.661 -3.350 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.481 -0.804 0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.035 -0.572 -1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.916 -2.764 -0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -17.463 -1.175 -0.876 1.00 0.00 H new ATOM 143 N PHE A 9 -12.364 -1.103 -1.325 1.00 0.00 N ATOM 144 CA PHE A 9 -11.297 -0.830 -2.270 1.00 0.00 C ATOM 145 C PHE A 9 -10.222 -1.902 -2.128 1.00 0.00 C ATOM 146 O PHE A 9 -9.723 -2.435 -3.119 1.00 0.00 O ATOM 147 CB PHE A 9 -10.738 0.588 -2.060 1.00 0.00 C ATOM 148 CG PHE A 9 -9.430 0.658 -1.320 1.00 0.00 C ATOM 149 CD1 PHE A 9 -8.269 0.140 -1.873 1.00 0.00 C ATOM 150 CD2 PHE A 9 -9.365 1.253 -0.073 1.00 0.00 C ATOM 151 CE1 PHE A 9 -7.071 0.211 -1.192 1.00 0.00 C ATOM 152 CE2 PHE A 9 -8.171 1.327 0.611 1.00 0.00 C ATOM 153 CZ PHE A 9 -7.023 0.804 0.053 1.00 0.00 C ATOM 0 H PHE A 9 -12.435 -0.439 -0.554 1.00 0.00 H new ATOM 0 HA PHE A 9 -11.682 -0.865 -3.289 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -10.611 1.059 -3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.477 1.176 -1.515 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.303 -0.324 -2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.260 1.664 0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.173 -0.197 -1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.134 1.794 1.584 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.088 0.859 0.590 1.00 0.00 H new ATOM 163 N ARG A 10 -9.897 -2.234 -0.880 1.00 0.00 N ATOM 164 CA ARG A 10 -8.912 -3.266 -0.593 1.00 0.00 C ATOM 165 C ARG A 10 -9.323 -4.577 -1.258 1.00 0.00 C ATOM 166 O ARG A 10 -8.502 -5.252 -1.882 1.00 0.00 O ATOM 167 CB ARG A 10 -8.777 -3.459 0.921 1.00 0.00 C ATOM 168 CG ARG A 10 -7.845 -4.595 1.318 1.00 0.00 C ATOM 169 CD ARG A 10 -8.336 -5.309 2.569 1.00 0.00 C ATOM 170 NE ARG A 10 -8.710 -6.696 2.298 1.00 0.00 N ATOM 171 CZ ARG A 10 -9.931 -7.084 1.931 1.00 0.00 C ATOM 172 NH1 ARG A 10 -10.907 -6.194 1.787 1.00 0.00 N ATOM 173 NH2 ARG A 10 -10.179 -8.366 1.706 1.00 0.00 N ATOM 0 H ARG A 10 -10.305 -1.800 -0.052 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.947 -2.956 -0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.413 -2.532 1.364 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.764 -3.648 1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.769 -5.308 0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.844 -4.201 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.555 -5.286 3.329 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.194 -4.775 2.977 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.991 -7.412 2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.725 -5.205 1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.839 -6.500 1.506 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.435 -9.056 1.814 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.113 -8.663 1.425 1.00 0.00 H new ATOM 187 N HIS A 11 -10.605 -4.927 -1.137 1.00 0.00 N ATOM 188 CA HIS A 11 -11.113 -6.152 -1.747 1.00 0.00 C ATOM 189 C HIS A 11 -10.869 -6.120 -3.250 1.00 0.00 C ATOM 190 O HIS A 11 -10.444 -7.111 -3.846 1.00 0.00 O ATOM 191 CB HIS A 11 -12.606 -6.323 -1.459 1.00 0.00 C ATOM 192 CG HIS A 11 -13.099 -7.722 -1.660 1.00 0.00 C ATOM 193 ND1 HIS A 11 -14.260 -8.199 -1.087 1.00 0.00 N ATOM 194 CD2 HIS A 11 -12.583 -8.752 -2.374 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.436 -9.460 -1.439 1.00 0.00 C ATOM 196 NE2 HIS A 11 -13.433 -9.819 -2.220 1.00 0.00 N ATOM 0 H HIS A 11 -11.302 -4.384 -0.627 1.00 0.00 H new ATOM 0 HA HIS A 11 -10.583 -7.001 -1.315 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -12.806 -6.020 -0.431 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.171 -5.651 -2.105 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -11.673 -8.736 -2.956 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.260 -10.090 -1.139 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -13.310 -10.740 -2.641 1.00 0.00 H new ATOM 205 N LYS A 12 -11.123 -4.964 -3.852 1.00 0.00 N ATOM 206 CA LYS A 12 -10.915 -4.788 -5.283 1.00 0.00 C ATOM 207 C LYS A 12 -9.455 -5.044 -5.638 1.00 0.00 C ATOM 208 O LYS A 12 -9.144 -5.545 -6.719 1.00 0.00 O ATOM 209 CB LYS A 12 -11.318 -3.375 -5.711 1.00 0.00 C ATOM 210 CG LYS A 12 -12.814 -3.120 -5.640 1.00 0.00 C ATOM 211 CD LYS A 12 -13.148 -1.672 -5.961 1.00 0.00 C ATOM 212 CE LYS A 12 -13.527 -1.497 -7.423 1.00 0.00 C ATOM 213 NZ LYS A 12 -14.694 -0.586 -7.590 1.00 0.00 N ATOM 0 H LYS A 12 -11.473 -4.135 -3.371 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.539 -5.506 -5.815 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.804 -2.652 -5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.977 -3.203 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.330 -3.777 -6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.179 -3.366 -4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.971 -1.339 -5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.291 -1.040 -5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.675 -1.099 -7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.761 -2.470 -7.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.920 -0.493 -8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.515 -0.978 -7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.462 0.350 -7.200 1.00 0.00 H new ATOM 227 N VAL A 13 -8.562 -4.703 -4.711 1.00 0.00 N ATOM 228 CA VAL A 13 -7.133 -4.903 -4.914 1.00 0.00 C ATOM 229 C VAL A 13 -6.810 -6.389 -5.023 1.00 0.00 C ATOM 230 O VAL A 13 -6.099 -6.816 -5.932 1.00 0.00 O ATOM 231 CB VAL A 13 -6.307 -4.293 -3.765 1.00 0.00 C ATOM 232 CG1 VAL A 13 -4.816 -4.430 -4.040 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.685 -2.835 -3.553 1.00 0.00 C ATOM 0 H VAL A 13 -8.805 -4.287 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.867 -4.399 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.533 -4.842 -2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.252 -3.993 -3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.559 -5.485 -4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.567 -3.911 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.092 -2.420 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.491 -2.272 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.744 -2.766 -3.303 1.00 0.00 H new ATOM 243 N ASP A 14 -7.347 -7.174 -4.094 1.00 0.00 N ATOM 244 CA ASP A 14 -7.120 -8.615 -4.093 1.00 0.00 C ATOM 245 C ASP A 14 -7.577 -9.225 -5.412 1.00 0.00 C ATOM 246 O ASP A 14 -6.911 -10.094 -5.974 1.00 0.00 O ATOM 247 CB ASP A 14 -7.860 -9.272 -2.926 1.00 0.00 C ATOM 248 CG ASP A 14 -7.613 -10.765 -2.847 1.00 0.00 C ATOM 249 OD1 ASP A 14 -6.724 -11.261 -3.573 1.00 0.00 O ATOM 250 OD2 ASP A 14 -8.307 -11.441 -2.059 1.00 0.00 O ATOM 0 H ASP A 14 -7.940 -6.838 -3.335 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.051 -8.795 -3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.546 -8.805 -1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.930 -9.089 -3.030 1.00 0.00 H new ATOM 255 N PHE A 15 -8.717 -8.754 -5.903 1.00 0.00 N ATOM 256 CA PHE A 15 -9.266 -9.239 -7.162 1.00 0.00 C ATOM 257 C PHE A 15 -8.399 -8.794 -8.337 1.00 0.00 C ATOM 258 O PHE A 15 -8.303 -9.490 -9.348 1.00 0.00 O ATOM 259 CB PHE A 15 -10.701 -8.732 -7.343 1.00 0.00 C ATOM 260 CG PHE A 15 -11.306 -9.090 -8.671 1.00 0.00 C ATOM 261 CD1 PHE A 15 -11.659 -10.398 -8.955 1.00 0.00 C ATOM 262 CD2 PHE A 15 -11.521 -8.116 -9.634 1.00 0.00 C ATOM 263 CE1 PHE A 15 -12.217 -10.731 -10.176 1.00 0.00 C ATOM 264 CE2 PHE A 15 -12.077 -8.443 -10.856 1.00 0.00 C ATOM 265 CZ PHE A 15 -12.425 -9.752 -11.127 1.00 0.00 C ATOM 0 H PHE A 15 -9.280 -8.036 -5.447 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.276 -10.329 -7.135 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -11.324 -9.141 -6.548 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -10.711 -7.648 -7.230 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.497 -11.167 -8.215 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.251 -7.091 -9.427 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.489 -11.755 -10.385 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.239 -7.676 -11.599 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.859 -10.009 -12.082 1.00 0.00 H new ATOM 275 N LEU A 16 -7.774 -7.628 -8.197 1.00 0.00 N ATOM 276 CA LEU A 16 -6.920 -7.087 -9.247 1.00 0.00 C ATOM 277 C LEU A 16 -5.439 -7.308 -8.938 1.00 0.00 C ATOM 278 O LEU A 16 -4.570 -6.779 -9.631 1.00 0.00 O ATOM 279 CB LEU A 16 -7.194 -5.593 -9.433 1.00 0.00 C ATOM 280 CG LEU A 16 -8.651 -5.233 -9.728 1.00 0.00 C ATOM 281 CD1 LEU A 16 -8.839 -3.725 -9.723 1.00 0.00 C ATOM 282 CD2 LEU A 16 -9.084 -5.824 -11.062 1.00 0.00 C ATOM 0 H LEU A 16 -7.844 -7.041 -7.366 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.155 -7.618 -10.170 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.881 -5.067 -8.531 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.572 -5.224 -10.249 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.278 -5.658 -8.944 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.882 -3.488 -9.935 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.568 -3.328 -8.745 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.203 -3.276 -10.486 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.123 -5.559 -11.257 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.453 -5.428 -11.857 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.987 -6.909 -11.028 1.00 0.00 H new ATOM 294 N ILE A 17 -5.153 -8.092 -7.903 1.00 0.00 N ATOM 295 CA ILE A 17 -3.796 -8.380 -7.516 1.00 0.00 C ATOM 296 C ILE A 17 -3.710 -9.771 -6.899 1.00 0.00 C ATOM 297 O ILE A 17 -3.483 -9.934 -5.700 1.00 0.00 O ATOM 298 CB ILE A 17 -3.263 -7.351 -6.518 1.00 0.00 C ATOM 299 CG1 ILE A 17 -3.174 -5.966 -7.164 1.00 0.00 C ATOM 300 CG2 ILE A 17 -1.910 -7.800 -6.022 1.00 0.00 C ATOM 301 CD1 ILE A 17 -2.189 -5.896 -8.310 1.00 0.00 C ATOM 0 H ILE A 17 -5.859 -8.539 -7.318 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.183 -8.335 -8.416 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.949 -7.277 -5.674 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.161 -5.679 -7.526 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.888 -5.238 -6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.523 -7.071 -5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.005 -8.770 -5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.223 -7.884 -6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.178 -4.886 -8.719 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.193 -6.152 -7.950 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.485 -6.600 -9.088 1.00 0.00 H new ATOM 313 N GLU A 18 -3.903 -10.761 -7.740 1.00 0.00 N ATOM 314 CA GLU A 18 -3.857 -12.156 -7.317 1.00 0.00 C ATOM 315 C GLU A 18 -2.493 -12.498 -6.727 1.00 0.00 C ATOM 316 O GLU A 18 -2.393 -13.275 -5.777 1.00 0.00 O ATOM 317 CB GLU A 18 -4.162 -13.080 -8.498 1.00 0.00 C ATOM 318 CG GLU A 18 -5.390 -12.667 -9.293 1.00 0.00 C ATOM 319 CD GLU A 18 -6.274 -13.845 -9.654 1.00 0.00 C ATOM 320 OE1 GLU A 18 -7.087 -14.262 -8.803 1.00 0.00 O ATOM 321 OE2 GLU A 18 -6.152 -14.352 -10.791 1.00 0.00 O ATOM 0 H GLU A 18 -4.096 -10.631 -8.733 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.614 -12.303 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.299 -13.102 -9.164 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.304 -14.095 -8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.968 -11.948 -8.713 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.074 -12.161 -10.205 1.00 0.00 H new ATOM 328 N ASN A 19 -1.447 -11.911 -7.297 1.00 0.00 N ATOM 329 CA ASN A 19 -0.087 -12.149 -6.827 1.00 0.00 C ATOM 330 C ASN A 19 0.085 -11.644 -5.398 1.00 0.00 C ATOM 331 O ASN A 19 -0.575 -10.690 -4.984 1.00 0.00 O ATOM 332 CB ASN A 19 0.921 -11.465 -7.751 1.00 0.00 C ATOM 333 CG ASN A 19 2.137 -12.329 -8.022 1.00 0.00 C ATOM 334 OD1 ASN A 19 2.104 -13.544 -7.832 1.00 0.00 O ATOM 335 ND2 ASN A 19 3.221 -11.704 -8.468 1.00 0.00 N ATOM 0 H ASN A 19 -1.514 -11.267 -8.085 1.00 0.00 H new ATOM 0 HA ASN A 19 0.096 -13.223 -6.839 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.435 -11.220 -8.696 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.240 -10.524 -7.303 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.070 -12.234 -8.667 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.205 -10.694 -8.612 1.00 0.00 H new ATOM 342 N ASP A 20 0.973 -12.289 -4.649 1.00 0.00 N ATOM 343 CA ASP A 20 1.226 -11.903 -3.267 1.00 0.00 C ATOM 344 C ASP A 20 2.285 -10.808 -3.188 1.00 0.00 C ATOM 345 O ASP A 20 2.269 -9.981 -2.276 1.00 0.00 O ATOM 346 CB ASP A 20 1.673 -13.117 -2.450 1.00 0.00 C ATOM 347 CG ASP A 20 2.906 -13.781 -3.029 1.00 0.00 C ATOM 348 OD1 ASP A 20 2.845 -14.240 -4.189 1.00 0.00 O ATOM 349 OD2 ASP A 20 3.935 -13.841 -2.322 1.00 0.00 O ATOM 0 H ASP A 20 1.528 -13.080 -4.976 1.00 0.00 H new ATOM 0 HA ASP A 20 0.296 -11.514 -2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.878 -12.806 -1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.860 -13.842 -2.407 1.00 0.00 H new ATOM 354 N ALA A 21 3.208 -10.808 -4.146 1.00 0.00 N ATOM 355 CA ALA A 21 4.272 -9.812 -4.175 1.00 0.00 C ATOM 356 C ALA A 21 3.703 -8.412 -4.318 1.00 0.00 C ATOM 357 O ALA A 21 4.006 -7.525 -3.519 1.00 0.00 O ATOM 358 CB ALA A 21 5.243 -10.106 -5.304 1.00 0.00 C ATOM 0 H ALA A 21 3.240 -11.484 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 21 4.810 -9.864 -3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.031 -9.353 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.684 -11.092 -5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.712 -10.085 -6.256 1.00 0.00 H new ATOM 364 N GLU A 22 2.863 -8.221 -5.323 1.00 0.00 N ATOM 365 CA GLU A 22 2.236 -6.927 -5.548 1.00 0.00 C ATOM 366 C GLU A 22 1.604 -6.441 -4.253 1.00 0.00 C ATOM 367 O GLU A 22 1.600 -5.247 -3.951 1.00 0.00 O ATOM 368 CB GLU A 22 1.181 -7.019 -6.652 1.00 0.00 C ATOM 369 CG GLU A 22 1.750 -6.839 -8.049 1.00 0.00 C ATOM 370 CD GLU A 22 0.680 -6.540 -9.080 1.00 0.00 C ATOM 371 OE1 GLU A 22 0.083 -7.501 -9.610 1.00 0.00 O ATOM 372 OE2 GLU A 22 0.439 -5.346 -9.358 1.00 0.00 O ATOM 0 H GLU A 22 2.600 -8.943 -5.994 1.00 0.00 H new ATOM 0 HA GLU A 22 2.997 -6.216 -5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.687 -7.989 -6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.418 -6.261 -6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.477 -6.027 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.286 -7.743 -8.338 1.00 0.00 H new ATOM 379 N LYS A 23 1.090 -7.392 -3.480 1.00 0.00 N ATOM 380 CA LYS A 23 0.475 -7.086 -2.200 1.00 0.00 C ATOM 381 C LYS A 23 1.549 -6.716 -1.184 1.00 0.00 C ATOM 382 O LYS A 23 1.336 -5.864 -0.323 1.00 0.00 O ATOM 383 CB LYS A 23 -0.338 -8.279 -1.695 1.00 0.00 C ATOM 384 CG LYS A 23 -1.503 -8.649 -2.598 1.00 0.00 C ATOM 385 CD LYS A 23 -2.441 -9.633 -1.922 1.00 0.00 C ATOM 386 CE LYS A 23 -3.617 -9.986 -2.815 1.00 0.00 C ATOM 387 NZ LYS A 23 -4.719 -10.633 -2.052 1.00 0.00 N ATOM 0 H LYS A 23 1.089 -8.383 -3.721 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.200 -6.240 -2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.322 -9.141 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.719 -8.053 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.054 -7.749 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.124 -9.083 -3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.894 -10.540 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.807 -9.205 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.991 -9.083 -3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.283 -10.655 -3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.234 -11.288 -2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.322 -11.159 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.372 -9.904 -1.700 1.00 0.00 H new ATOM 401 N ASP A 24 2.714 -7.357 -1.302 1.00 0.00 N ATOM 402 CA ASP A 24 3.824 -7.078 -0.403 1.00 0.00 C ATOM 403 C ASP A 24 4.297 -5.640 -0.583 1.00 0.00 C ATOM 404 O ASP A 24 4.510 -4.915 0.391 1.00 0.00 O ATOM 405 CB ASP A 24 4.979 -8.047 -0.662 1.00 0.00 C ATOM 406 CG ASP A 24 5.872 -8.220 0.549 1.00 0.00 C ATOM 407 OD1 ASP A 24 5.515 -9.016 1.443 1.00 0.00 O ATOM 408 OD2 ASP A 24 6.930 -7.558 0.605 1.00 0.00 O ATOM 0 H ASP A 24 2.908 -8.067 -2.008 1.00 0.00 H new ATOM 0 HA ASP A 24 3.481 -7.212 0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.577 -9.017 -0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.574 -7.683 -1.499 1.00 0.00 H new ATOM 413 N TYR A 25 4.442 -5.228 -1.840 1.00 0.00 N ATOM 414 CA TYR A 25 4.873 -3.873 -2.148 1.00 0.00 C ATOM 415 C TYR A 25 3.854 -2.867 -1.628 1.00 0.00 C ATOM 416 O TYR A 25 4.217 -1.846 -1.045 1.00 0.00 O ATOM 417 CB TYR A 25 5.056 -3.702 -3.657 1.00 0.00 C ATOM 418 CG TYR A 25 6.231 -2.824 -4.030 1.00 0.00 C ATOM 419 CD1 TYR A 25 7.498 -3.073 -3.519 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.071 -1.748 -4.893 1.00 0.00 C ATOM 421 CE1 TYR A 25 8.574 -2.274 -3.856 1.00 0.00 C ATOM 422 CE2 TYR A 25 7.142 -0.944 -5.236 1.00 0.00 C ATOM 423 CZ TYR A 25 8.390 -1.211 -4.715 1.00 0.00 C ATOM 424 OH TYR A 25 9.458 -0.413 -5.054 1.00 0.00 O ATOM 0 H TYR A 25 4.267 -5.813 -2.657 1.00 0.00 H new ATOM 0 HA TYR A 25 5.830 -3.693 -1.658 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.188 -4.684 -4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.146 -3.275 -4.079 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.645 -3.905 -2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.094 -1.536 -5.303 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.553 -2.481 -3.449 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.002 -0.111 -5.909 1.00 0.00 H new ATOM 0 HH TYR A 25 10.282 -0.943 -5.032 1.00 0.00 H new ATOM 434 N LEU A 26 2.575 -3.175 -1.830 1.00 0.00 N ATOM 435 CA LEU A 26 1.497 -2.307 -1.372 1.00 0.00 C ATOM 436 C LEU A 26 1.585 -2.099 0.136 1.00 0.00 C ATOM 437 O LEU A 26 1.387 -0.990 0.633 1.00 0.00 O ATOM 438 CB LEU A 26 0.139 -2.907 -1.742 1.00 0.00 C ATOM 439 CG LEU A 26 -0.700 -2.064 -2.703 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.089 -2.077 -4.095 1.00 0.00 C ATOM 441 CD2 LEU A 26 -2.135 -2.570 -2.742 1.00 0.00 C ATOM 0 H LEU A 26 2.261 -4.020 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 26 1.600 -1.340 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.302 -3.887 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.433 -3.065 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.709 -1.035 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.699 -1.472 -4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.920 -1.667 -4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.049 -3.101 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.718 -1.959 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.146 -3.607 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.570 -2.508 -1.745 1.00 0.00 H new ATOM 453 N TYR A 27 1.893 -3.172 0.858 1.00 0.00 N ATOM 454 CA TYR A 27 2.018 -3.106 2.307 1.00 0.00 C ATOM 455 C TYR A 27 3.126 -2.137 2.698 1.00 0.00 C ATOM 456 O TYR A 27 2.971 -1.336 3.619 1.00 0.00 O ATOM 457 CB TYR A 27 2.309 -4.493 2.885 1.00 0.00 C ATOM 458 CG TYR A 27 1.309 -5.553 2.475 1.00 0.00 C ATOM 459 CD1 TYR A 27 -0.010 -5.223 2.181 1.00 0.00 C ATOM 460 CD2 TYR A 27 1.684 -6.887 2.384 1.00 0.00 C ATOM 461 CE1 TYR A 27 -0.922 -6.191 1.810 1.00 0.00 C ATOM 462 CE2 TYR A 27 0.778 -7.861 2.012 1.00 0.00 C ATOM 463 CZ TYR A 27 -0.525 -7.508 1.727 1.00 0.00 C ATOM 464 OH TYR A 27 -1.431 -8.477 1.359 1.00 0.00 O ATOM 0 H TYR A 27 2.060 -4.097 0.462 1.00 0.00 H new ATOM 0 HA TYR A 27 1.074 -2.748 2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.304 -4.805 2.569 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.326 -4.426 3.973 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.326 -4.192 2.244 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.702 -7.168 2.608 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.942 -5.917 1.586 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.088 -8.893 1.945 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.342 -8.146 1.506 1.00 0.00 H new ATOM 474 N ASP A 28 4.242 -2.216 1.984 1.00 0.00 N ATOM 475 CA ASP A 28 5.379 -1.344 2.245 1.00 0.00 C ATOM 476 C ASP A 28 5.048 0.097 1.869 1.00 0.00 C ATOM 477 O ASP A 28 5.469 1.038 2.543 1.00 0.00 O ATOM 478 CB ASP A 28 6.607 -1.821 1.467 1.00 0.00 C ATOM 479 CG ASP A 28 7.907 -1.381 2.111 1.00 0.00 C ATOM 480 OD1 ASP A 28 8.044 -1.542 3.341 1.00 0.00 O ATOM 481 OD2 ASP A 28 8.788 -0.876 1.384 1.00 0.00 O ATOM 0 H ASP A 28 4.383 -2.876 1.219 1.00 0.00 H new ATOM 0 HA ASP A 28 5.602 -1.383 3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.589 -2.909 1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.561 -1.435 0.449 1.00 0.00 H new ATOM 486 N VAL A 29 4.286 0.261 0.792 1.00 0.00 N ATOM 487 CA VAL A 29 3.891 1.587 0.331 1.00 0.00 C ATOM 488 C VAL A 29 3.002 2.272 1.360 1.00 0.00 C ATOM 489 O VAL A 29 3.246 3.415 1.751 1.00 0.00 O ATOM 490 CB VAL A 29 3.142 1.516 -1.014 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.867 2.914 -1.552 1.00 0.00 C ATOM 492 CG2 VAL A 29 3.926 0.689 -2.024 1.00 0.00 C ATOM 0 H VAL A 29 3.930 -0.507 0.223 1.00 0.00 H new ATOM 0 HA VAL A 29 4.805 2.165 0.195 1.00 0.00 H new ATOM 0 HB VAL A 29 2.184 1.024 -0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.338 2.841 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.256 3.465 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.811 3.438 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.379 0.652 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.902 1.145 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.058 -0.323 -1.641 1.00 0.00 H new ATOM 502 N LEU A 30 1.974 1.560 1.798 1.00 0.00 N ATOM 503 CA LEU A 30 1.046 2.087 2.790 1.00 0.00 C ATOM 504 C LEU A 30 1.778 2.414 4.085 1.00 0.00 C ATOM 505 O LEU A 30 1.514 3.439 4.717 1.00 0.00 O ATOM 506 CB LEU A 30 -0.072 1.077 3.060 1.00 0.00 C ATOM 507 CG LEU A 30 -1.155 1.003 1.982 1.00 0.00 C ATOM 508 CD1 LEU A 30 -1.858 -0.345 2.024 1.00 0.00 C ATOM 509 CD2 LEU A 30 -2.158 2.135 2.157 1.00 0.00 C ATOM 0 H LEU A 30 1.761 0.614 1.482 1.00 0.00 H new ATOM 0 HA LEU A 30 0.606 3.004 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.373 0.088 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.544 1.326 4.010 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.680 1.112 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.625 -0.380 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.132 -1.139 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.321 -0.483 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.922 2.068 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.628 2.056 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.643 3.093 2.077 1.00 0.00 H new ATOM 521 N ARG A 31 2.703 1.543 4.471 1.00 0.00 N ATOM 522 CA ARG A 31 3.479 1.745 5.688 1.00 0.00 C ATOM 523 C ARG A 31 4.277 3.039 5.598 1.00 0.00 C ATOM 524 O ARG A 31 4.398 3.775 6.578 1.00 0.00 O ATOM 525 CB ARG A 31 4.419 0.560 5.925 1.00 0.00 C ATOM 526 CG ARG A 31 4.221 -0.111 7.275 1.00 0.00 C ATOM 527 CD ARG A 31 3.595 -1.490 7.128 1.00 0.00 C ATOM 528 NE ARG A 31 3.707 -2.276 8.353 1.00 0.00 N ATOM 529 CZ ARG A 31 3.575 -3.600 8.399 1.00 0.00 C ATOM 530 NH1 ARG A 31 3.321 -4.287 7.291 1.00 0.00 N ATOM 531 NH2 ARG A 31 3.696 -4.240 9.553 1.00 0.00 N ATOM 0 H ARG A 31 2.934 0.691 3.959 1.00 0.00 H new ATOM 0 HA ARG A 31 2.790 1.817 6.529 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.268 -0.177 5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.451 0.903 5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.182 -0.199 7.783 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.585 0.513 7.902 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.544 -1.384 6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.080 -2.023 6.310 1.00 0.00 H new ATOM 0 HE ARG A 31 3.898 -1.782 9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.226 -3.800 6.400 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.221 -5.301 7.332 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.891 -3.718 10.408 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.595 -5.254 9.587 1.00 0.00 H new ATOM 545 N MET A 32 4.813 3.315 4.414 1.00 0.00 N ATOM 546 CA MET A 32 5.590 4.527 4.196 1.00 0.00 C ATOM 547 C MET A 32 4.733 5.759 4.454 1.00 0.00 C ATOM 548 O MET A 32 5.115 6.644 5.220 1.00 0.00 O ATOM 549 CB MET A 32 6.141 4.560 2.769 1.00 0.00 C ATOM 550 CG MET A 32 7.326 3.634 2.553 1.00 0.00 C ATOM 551 SD MET A 32 8.744 4.072 3.576 1.00 0.00 S ATOM 552 CE MET A 32 10.008 4.295 2.327 1.00 0.00 C ATOM 0 H MET A 32 4.723 2.717 3.593 1.00 0.00 H new ATOM 0 HA MET A 32 6.427 4.529 4.894 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.346 4.287 2.075 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.439 5.580 2.527 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.026 2.609 2.773 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.618 3.662 1.503 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.992 4.269 2.796 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.936 3.495 1.590 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.866 5.257 1.834 1.00 0.00 H new ATOM 562 N TYR A 33 3.569 5.811 3.814 1.00 0.00 N ATOM 563 CA TYR A 33 2.658 6.938 3.982 1.00 0.00 C ATOM 564 C TYR A 33 2.352 7.189 5.455 1.00 0.00 C ATOM 565 O TYR A 33 2.282 8.333 5.895 1.00 0.00 O ATOM 566 CB TYR A 33 1.355 6.689 3.224 1.00 0.00 C ATOM 567 CG TYR A 33 0.493 7.923 3.093 1.00 0.00 C ATOM 568 CD1 TYR A 33 1.053 9.149 2.751 1.00 0.00 C ATOM 569 CD2 TYR A 33 -0.877 7.866 3.314 1.00 0.00 C ATOM 570 CE1 TYR A 33 0.271 10.282 2.633 1.00 0.00 C ATOM 571 CE2 TYR A 33 -1.665 8.994 3.194 1.00 0.00 C ATOM 572 CZ TYR A 33 -1.086 10.200 2.855 1.00 0.00 C ATOM 573 OH TYR A 33 -1.868 11.326 2.736 1.00 0.00 O ATOM 0 H TYR A 33 3.235 5.088 3.176 1.00 0.00 H new ATOM 0 HA TYR A 33 3.150 7.822 3.576 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.589 6.310 2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.788 5.911 3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.116 9.217 2.575 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.333 6.925 3.584 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.721 11.227 2.368 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.730 8.933 3.365 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.515 12.032 3.317 1.00 0.00 H new ATOM 583 N HIS A 34 2.159 6.117 6.213 1.00 0.00 N ATOM 584 CA HIS A 34 1.852 6.237 7.631 1.00 0.00 C ATOM 585 C HIS A 34 3.088 6.630 8.436 1.00 0.00 C ATOM 586 O HIS A 34 3.000 7.400 9.393 1.00 0.00 O ATOM 587 CB HIS A 34 1.281 4.921 8.162 1.00 0.00 C ATOM 588 CG HIS A 34 0.458 5.081 9.402 1.00 0.00 C ATOM 589 ND1 HIS A 34 0.829 4.561 10.624 1.00 0.00 N ATOM 590 CD2 HIS A 34 -0.725 5.707 9.607 1.00 0.00 C ATOM 591 CE1 HIS A 34 -0.089 4.859 11.526 1.00 0.00 C ATOM 592 NE2 HIS A 34 -1.043 5.554 10.933 1.00 0.00 N ATOM 0 H HIS A 34 2.210 5.158 5.870 1.00 0.00 H new ATOM 0 HA HIS A 34 1.108 7.025 7.745 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.668 4.461 7.386 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.103 4.235 8.368 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.310 6.230 8.865 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -0.064 4.582 12.570 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -1.881 5.918 11.387 1.00 0.00 H new ATOM 601 N GLN A 35 4.234 6.080 8.054 1.00 0.00 N ATOM 602 CA GLN A 35 5.487 6.356 8.753 1.00 0.00 C ATOM 603 C GLN A 35 6.076 7.721 8.386 1.00 0.00 C ATOM 604 O GLN A 35 6.369 8.531 9.267 1.00 0.00 O ATOM 605 CB GLN A 35 6.508 5.258 8.450 1.00 0.00 C ATOM 606 CG GLN A 35 7.240 4.750 9.683 1.00 0.00 C ATOM 607 CD GLN A 35 6.746 3.390 10.135 1.00 0.00 C ATOM 608 OE1 GLN A 35 6.434 3.189 11.310 1.00 0.00 O ATOM 609 NE2 GLN A 35 6.671 2.448 9.203 1.00 0.00 N ATOM 0 H GLN A 35 4.324 5.440 7.265 1.00 0.00 H new ATOM 0 HA GLN A 35 5.261 6.374 9.819 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.999 4.422 7.970 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.238 5.639 7.736 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.307 4.692 9.469 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.116 5.466 10.495 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.940 2.659 8.242 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.345 1.513 9.448 1.00 0.00 H new ATOM 618 N THR A 36 6.278 7.961 7.095 1.00 0.00 N ATOM 619 CA THR A 36 6.866 9.215 6.631 1.00 0.00 C ATOM 620 C THR A 36 5.821 10.313 6.438 1.00 0.00 C ATOM 621 O THR A 36 6.146 11.499 6.505 1.00 0.00 O ATOM 622 CB THR A 36 7.622 8.985 5.324 1.00 0.00 C ATOM 623 OG1 THR A 36 6.911 8.100 4.478 1.00 0.00 O ATOM 624 CG2 THR A 36 9.009 8.412 5.526 1.00 0.00 C ATOM 0 H THR A 36 6.044 7.305 6.350 1.00 0.00 H new ATOM 0 HA THR A 36 7.555 9.553 7.405 1.00 0.00 H new ATOM 0 HB THR A 36 7.716 9.972 4.871 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.984 8.025 4.788 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.490 8.274 4.558 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.602 9.098 6.131 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.935 7.451 6.035 1.00 0.00 H new ATOM 632 N MET A 37 4.576 9.923 6.189 1.00 0.00 N ATOM 633 CA MET A 37 3.508 10.897 5.978 1.00 0.00 C ATOM 634 C MET A 37 3.804 11.764 4.760 1.00 0.00 C ATOM 635 O MET A 37 3.480 12.952 4.734 1.00 0.00 O ATOM 636 CB MET A 37 3.334 11.778 7.218 1.00 0.00 C ATOM 637 CG MET A 37 2.637 11.074 8.371 1.00 0.00 C ATOM 638 SD MET A 37 0.845 11.279 8.326 1.00 0.00 S ATOM 639 CE MET A 37 0.314 9.576 8.159 1.00 0.00 C ATOM 0 H MET A 37 4.281 8.948 6.128 1.00 0.00 H new ATOM 0 HA MET A 37 2.581 10.352 5.801 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.314 12.120 7.551 1.00 0.00 H new ATOM 0 HB3 MET A 37 2.762 12.665 6.946 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.878 10.011 8.343 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.020 11.463 9.314 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.728 9.488 8.468 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.412 9.265 7.119 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.934 8.938 8.789 1.00 0.00 H new ATOM 649 N ASP A 38 4.422 11.159 3.749 1.00 0.00 N ATOM 650 CA ASP A 38 4.766 11.869 2.522 1.00 0.00 C ATOM 651 C ASP A 38 3.991 11.308 1.335 1.00 0.00 C ATOM 652 O ASP A 38 4.047 10.110 1.054 1.00 0.00 O ATOM 653 CB ASP A 38 6.270 11.769 2.255 1.00 0.00 C ATOM 654 CG ASP A 38 6.787 12.920 1.416 1.00 0.00 C ATOM 655 OD1 ASP A 38 6.349 14.067 1.646 1.00 0.00 O ATOM 656 OD2 ASP A 38 7.629 12.675 0.527 1.00 0.00 O ATOM 0 H ASP A 38 4.695 10.176 3.756 1.00 0.00 H new ATOM 0 HA ASP A 38 4.495 12.917 2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.804 11.747 3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.484 10.828 1.747 1.00 0.00 H new ATOM 661 N VAL A 39 3.272 12.181 0.640 1.00 0.00 N ATOM 662 CA VAL A 39 2.490 11.773 -0.520 1.00 0.00 C ATOM 663 C VAL A 39 3.382 11.555 -1.737 1.00 0.00 C ATOM 664 O VAL A 39 2.953 10.982 -2.738 1.00 0.00 O ATOM 665 CB VAL A 39 1.414 12.821 -0.872 1.00 0.00 C ATOM 666 CG1 VAL A 39 0.454 12.271 -1.914 1.00 0.00 C ATOM 667 CG2 VAL A 39 0.662 13.263 0.378 1.00 0.00 C ATOM 0 H VAL A 39 3.214 13.175 0.859 1.00 0.00 H new ATOM 0 HA VAL A 39 2.002 10.835 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 39 1.911 13.695 -1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.298 13.024 -2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.006 12.014 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.036 11.379 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.092 14.002 0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.177 12.400 0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.363 13.703 1.088 1.00 0.00 H new ATOM 677 N ALA A 40 4.632 12.006 -1.643 1.00 0.00 N ATOM 678 CA ALA A 40 5.577 11.849 -2.737 1.00 0.00 C ATOM 679 C ALA A 40 6.098 10.424 -2.782 1.00 0.00 C ATOM 680 O ALA A 40 6.318 9.864 -3.856 1.00 0.00 O ATOM 681 CB ALA A 40 6.725 12.837 -2.595 1.00 0.00 C ATOM 0 H ALA A 40 5.009 12.481 -0.822 1.00 0.00 H new ATOM 0 HA ALA A 40 5.062 12.057 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.423 12.705 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.333 13.854 -2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.243 12.660 -1.652 1.00 0.00 H new ATOM 687 N VAL A 41 6.277 9.836 -1.606 1.00 0.00 N ATOM 688 CA VAL A 41 6.753 8.469 -1.510 1.00 0.00 C ATOM 689 C VAL A 41 5.676 7.504 -1.989 1.00 0.00 C ATOM 690 O VAL A 41 5.967 6.476 -2.600 1.00 0.00 O ATOM 691 CB VAL A 41 7.158 8.107 -0.069 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.785 6.721 -0.021 1.00 0.00 C ATOM 693 CG2 VAL A 41 8.108 9.150 0.498 1.00 0.00 C ATOM 0 H VAL A 41 6.099 10.287 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 41 7.635 8.385 -2.144 1.00 0.00 H new ATOM 0 HB VAL A 41 6.259 8.095 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.064 6.483 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.067 5.984 -0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.673 6.701 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.383 8.876 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.005 9.199 -0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.618 10.124 0.503 1.00 0.00 H new ATOM 703 N LEU A 42 4.424 7.859 -1.712 1.00 0.00 N ATOM 704 CA LEU A 42 3.288 7.042 -2.115 1.00 0.00 C ATOM 705 C LEU A 42 3.157 7.018 -3.633 1.00 0.00 C ATOM 706 O LEU A 42 3.025 5.956 -4.235 1.00 0.00 O ATOM 707 CB LEU A 42 1.996 7.579 -1.491 1.00 0.00 C ATOM 708 CG LEU A 42 1.553 6.889 -0.198 1.00 0.00 C ATOM 709 CD1 LEU A 42 0.164 7.362 0.201 1.00 0.00 C ATOM 710 CD2 LEU A 42 1.575 5.375 -0.359 1.00 0.00 C ATOM 0 H LEU A 42 4.172 8.710 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 42 3.457 6.025 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.125 8.642 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.194 7.489 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 42 2.254 7.156 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.139 6.864 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.178 8.440 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.544 7.121 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.257 4.905 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.898 5.085 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.586 5.050 -0.602 1.00 0.00 H new ATOM 722 N VAL A 43 3.196 8.198 -4.248 1.00 0.00 N ATOM 723 CA VAL A 43 3.082 8.303 -5.697 1.00 0.00 C ATOM 724 C VAL A 43 4.179 7.503 -6.393 1.00 0.00 C ATOM 725 O VAL A 43 3.950 6.892 -7.438 1.00 0.00 O ATOM 726 CB VAL A 43 3.155 9.769 -6.164 1.00 0.00 C ATOM 727 CG1 VAL A 43 2.874 9.871 -7.657 1.00 0.00 C ATOM 728 CG2 VAL A 43 2.185 10.635 -5.371 1.00 0.00 C ATOM 0 H VAL A 43 3.305 9.090 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 43 2.109 7.894 -5.968 1.00 0.00 H new ATOM 0 HB VAL A 43 4.165 10.137 -5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.930 10.914 -7.967 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.613 9.288 -8.207 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.877 9.483 -7.867 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.252 11.667 -5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.168 10.269 -5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.439 10.590 -4.312 1.00 0.00 H new ATOM 738 N GLY A 44 5.372 7.516 -5.809 1.00 0.00 N ATOM 739 CA GLY A 44 6.490 6.793 -6.385 1.00 0.00 C ATOM 740 C GLY A 44 6.262 5.294 -6.428 1.00 0.00 C ATOM 741 O GLY A 44 6.279 4.689 -7.500 1.00 0.00 O ATOM 0 H GLY A 44 5.585 8.015 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.670 7.158 -7.396 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.389 7.003 -5.806 1.00 0.00 H new ATOM 745 N ASP A 45 6.052 4.692 -5.261 1.00 0.00 N ATOM 746 CA ASP A 45 5.827 3.253 -5.175 1.00 0.00 C ATOM 747 C ASP A 45 4.490 2.864 -5.804 1.00 0.00 C ATOM 748 O ASP A 45 4.396 1.870 -6.526 1.00 0.00 O ATOM 749 CB ASP A 45 5.870 2.796 -3.716 1.00 0.00 C ATOM 750 CG ASP A 45 7.115 3.274 -2.996 1.00 0.00 C ATOM 751 OD1 ASP A 45 7.402 4.489 -3.048 1.00 0.00 O ATOM 752 OD2 ASP A 45 7.804 2.434 -2.382 1.00 0.00 O ATOM 0 H ASP A 45 6.033 5.177 -4.364 1.00 0.00 H new ATOM 0 HA ASP A 45 6.623 2.756 -5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.987 3.168 -3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.827 1.708 -3.678 1.00 0.00 H new ATOM 757 N LEU A 46 3.458 3.653 -5.522 1.00 0.00 N ATOM 758 CA LEU A 46 2.126 3.391 -6.059 1.00 0.00 C ATOM 759 C LEU A 46 2.178 3.179 -7.566 1.00 0.00 C ATOM 760 O LEU A 46 1.603 2.225 -8.088 1.00 0.00 O ATOM 761 CB LEU A 46 1.177 4.543 -5.727 1.00 0.00 C ATOM 762 CG LEU A 46 0.674 4.571 -4.281 1.00 0.00 C ATOM 763 CD1 LEU A 46 0.051 5.919 -3.958 1.00 0.00 C ATOM 764 CD2 LEU A 46 -0.326 3.449 -4.046 1.00 0.00 C ATOM 0 H LEU A 46 3.518 4.478 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 46 1.752 2.479 -5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.685 5.484 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.317 4.489 -6.394 1.00 0.00 H new ATOM 0 HG LEU A 46 1.525 4.420 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.301 5.920 -2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.795 6.704 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.789 6.101 -4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.674 3.482 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.174 3.571 -4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.153 2.489 -4.236 1.00 0.00 H new ATOM 776 N LYS A 47 2.875 4.070 -8.258 1.00 0.00 N ATOM 777 CA LYS A 47 3.006 3.979 -9.708 1.00 0.00 C ATOM 778 C LYS A 47 3.631 2.647 -10.112 1.00 0.00 C ATOM 779 O LYS A 47 3.158 1.977 -11.033 1.00 0.00 O ATOM 780 CB LYS A 47 3.850 5.140 -10.240 1.00 0.00 C ATOM 781 CG LYS A 47 3.087 6.068 -11.172 1.00 0.00 C ATOM 782 CD LYS A 47 2.939 7.461 -10.579 1.00 0.00 C ATOM 783 CE LYS A 47 3.964 8.423 -11.154 1.00 0.00 C ATOM 784 NZ LYS A 47 5.341 8.116 -10.682 1.00 0.00 N ATOM 0 H LYS A 47 3.359 4.865 -7.840 1.00 0.00 H new ATOM 0 HA LYS A 47 2.009 4.039 -10.145 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.231 5.717 -9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.714 4.738 -10.768 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.607 6.132 -12.128 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.100 5.651 -11.373 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.935 7.837 -10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.053 7.411 -9.496 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.935 8.376 -12.243 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.703 9.443 -10.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.010 8.795 -11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.376 8.186 -9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.601 7.152 -10.973 1.00 0.00 H new ATOM 798 N LEU A 48 4.689 2.265 -9.410 1.00 0.00 N ATOM 799 CA LEU A 48 5.380 1.011 -9.688 1.00 0.00 C ATOM 800 C LEU A 48 4.402 -0.162 -9.686 1.00 0.00 C ATOM 801 O LEU A 48 4.488 -1.055 -10.529 1.00 0.00 O ATOM 802 CB LEU A 48 6.485 0.770 -8.657 1.00 0.00 C ATOM 803 CG LEU A 48 7.784 1.535 -8.912 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.402 1.993 -7.599 1.00 0.00 C ATOM 805 CD2 LEU A 48 8.765 0.673 -9.691 1.00 0.00 C ATOM 0 H LEU A 48 5.089 2.805 -8.643 1.00 0.00 H new ATOM 0 HA LEU A 48 5.829 1.086 -10.679 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.108 1.043 -7.672 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.708 -0.296 -8.629 1.00 0.00 H new ATOM 0 HG LEU A 48 7.552 2.418 -9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.326 2.535 -7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.704 2.647 -7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.620 1.125 -6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.684 1.233 -9.864 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.991 -0.228 -9.120 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.324 0.395 -10.648 1.00 0.00 H new ATOM 817 N VAL A 49 3.470 -0.151 -8.737 1.00 0.00 N ATOM 818 CA VAL A 49 2.475 -1.212 -8.636 1.00 0.00 C ATOM 819 C VAL A 49 1.132 -0.777 -9.224 1.00 0.00 C ATOM 820 O VAL A 49 0.147 -1.512 -9.151 1.00 0.00 O ATOM 821 CB VAL A 49 2.271 -1.657 -7.173 1.00 0.00 C ATOM 822 CG1 VAL A 49 1.708 -0.519 -6.335 1.00 0.00 C ATOM 823 CG2 VAL A 49 1.364 -2.877 -7.107 1.00 0.00 C ATOM 0 H VAL A 49 3.384 0.579 -8.030 1.00 0.00 H new ATOM 0 HA VAL A 49 2.857 -2.055 -9.212 1.00 0.00 H new ATOM 0 HB VAL A 49 3.242 -1.930 -6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.573 -0.856 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.400 0.323 -6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.747 -0.207 -6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.232 -3.176 -6.067 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.394 -2.633 -7.541 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.816 -3.697 -7.666 1.00 0.00 H new ATOM 833 N ILE A 50 1.098 0.423 -9.798 1.00 0.00 N ATOM 834 CA ILE A 50 -0.123 0.954 -10.390 1.00 0.00 C ATOM 835 C ILE A 50 0.171 1.693 -11.695 1.00 0.00 C ATOM 836 O ILE A 50 -0.532 2.631 -12.069 1.00 0.00 O ATOM 837 CB ILE A 50 -0.854 1.899 -9.412 1.00 0.00 C ATOM 838 CG1 ILE A 50 -1.161 1.170 -8.103 1.00 0.00 C ATOM 839 CG2 ILE A 50 -2.137 2.424 -10.031 1.00 0.00 C ATOM 840 CD1 ILE A 50 -1.541 2.098 -6.970 1.00 0.00 C ATOM 0 H ILE A 50 1.904 1.045 -9.865 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.770 0.104 -10.606 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.201 2.746 -9.201 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.974 0.464 -8.272 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.289 0.587 -7.808 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.636 3.088 -9.325 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.903 2.974 -10.943 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.794 1.588 -10.270 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.745 1.513 -6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.720 2.788 -6.774 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.432 2.663 -7.245 1.00 0.00 H new ATOM 852 N ASN A 51 1.220 1.263 -12.383 1.00 0.00 N ATOM 853 CA ASN A 51 1.611 1.881 -13.644 1.00 0.00 C ATOM 854 C ASN A 51 0.912 1.223 -14.835 1.00 0.00 C ATOM 855 O ASN A 51 1.324 1.414 -15.980 1.00 0.00 O ATOM 856 CB ASN A 51 3.130 1.801 -13.826 1.00 0.00 C ATOM 857 CG ASN A 51 3.675 0.412 -13.553 1.00 0.00 C ATOM 858 OD1 ASN A 51 2.919 -0.556 -13.456 1.00 0.00 O ATOM 859 ND2 ASN A 51 4.992 0.307 -13.427 1.00 0.00 N ATOM 0 H ASN A 51 1.816 0.489 -12.090 1.00 0.00 H new ATOM 0 HA ASN A 51 1.304 2.926 -13.607 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.387 2.095 -14.844 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.611 2.515 -13.157 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.416 -0.602 -13.242 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.580 1.136 -13.515 1.00 0.00 H new ATOM 866 N GLU A 52 -0.145 0.455 -14.571 1.00 0.00 N ATOM 867 CA GLU A 52 -0.880 -0.208 -15.640 1.00 0.00 C ATOM 868 C GLU A 52 -2.374 0.063 -15.508 1.00 0.00 C ATOM 869 O GLU A 52 -2.881 0.245 -14.402 1.00 0.00 O ATOM 870 CB GLU A 52 -0.620 -1.716 -15.608 1.00 0.00 C ATOM 871 CG GLU A 52 0.848 -2.076 -15.459 1.00 0.00 C ATOM 872 CD GLU A 52 1.591 -2.055 -16.779 1.00 0.00 C ATOM 873 OE1 GLU A 52 1.531 -3.064 -17.512 1.00 0.00 O ATOM 874 OE2 GLU A 52 2.236 -1.029 -17.081 1.00 0.00 O ATOM 0 H GLU A 52 -0.507 0.279 -13.634 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.533 0.191 -16.593 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.179 -2.155 -14.782 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.004 -2.162 -16.525 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.321 -1.377 -14.769 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.932 -3.068 -15.015 1.00 0.00 H new ATOM 881 N PRO A 53 -3.105 0.087 -16.634 1.00 0.00 N ATOM 882 CA PRO A 53 -4.548 0.329 -16.625 1.00 0.00 C ATOM 883 C PRO A 53 -5.262 -0.599 -15.650 1.00 0.00 C ATOM 884 O PRO A 53 -6.196 -0.195 -14.957 1.00 0.00 O ATOM 885 CB PRO A 53 -4.986 0.041 -18.070 1.00 0.00 C ATOM 886 CG PRO A 53 -3.816 -0.624 -18.720 1.00 0.00 C ATOM 887 CD PRO A 53 -2.598 -0.131 -17.994 1.00 0.00 C ATOM 0 HA PRO A 53 -4.793 1.341 -16.303 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.865 -0.603 -18.092 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -5.252 0.961 -18.590 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.897 -1.709 -18.652 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.765 -0.374 -19.780 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.790 -0.863 -18.013 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -2.207 0.787 -18.433 1.00 0.00 H new ATOM 895 N SER A 54 -4.801 -1.844 -15.599 1.00 0.00 N ATOM 896 CA SER A 54 -5.378 -2.837 -14.702 1.00 0.00 C ATOM 897 C SER A 54 -5.053 -2.502 -13.250 1.00 0.00 C ATOM 898 O SER A 54 -5.871 -2.713 -12.355 1.00 0.00 O ATOM 899 CB SER A 54 -4.856 -4.232 -15.047 1.00 0.00 C ATOM 900 OG SER A 54 -5.340 -5.199 -14.131 1.00 0.00 O ATOM 0 H SER A 54 -4.029 -2.189 -16.169 1.00 0.00 H new ATOM 0 HA SER A 54 -6.461 -2.824 -14.828 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.163 -4.499 -16.058 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.766 -4.229 -15.035 1.00 0.00 H new ATOM 0 HG SER A 54 -4.993 -6.083 -14.374 1.00 0.00 H new ATOM 906 N ARG A 55 -3.847 -1.987 -13.029 1.00 0.00 N ATOM 907 CA ARG A 55 -3.402 -1.629 -11.687 1.00 0.00 C ATOM 908 C ARG A 55 -3.820 -0.206 -11.315 1.00 0.00 C ATOM 909 O ARG A 55 -3.724 0.191 -10.152 1.00 0.00 O ATOM 910 CB ARG A 55 -1.885 -1.781 -11.582 1.00 0.00 C ATOM 911 CG ARG A 55 -1.386 -3.150 -12.013 1.00 0.00 C ATOM 912 CD ARG A 55 0.125 -3.170 -12.167 1.00 0.00 C ATOM 913 NE ARG A 55 0.652 -4.532 -12.207 1.00 0.00 N ATOM 914 CZ ARG A 55 0.456 -5.373 -13.219 1.00 0.00 C ATOM 915 NH1 ARG A 55 -0.242 -4.995 -14.283 1.00 0.00 N ATOM 916 NH2 ARG A 55 0.964 -6.598 -13.170 1.00 0.00 N ATOM 0 H ARG A 55 -3.161 -1.808 -13.762 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.882 -2.308 -10.982 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.407 -1.018 -12.196 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.579 -1.598 -10.552 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.688 -3.896 -11.278 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.853 -3.427 -12.958 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.403 -2.646 -13.082 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.581 -2.629 -11.338 1.00 0.00 H new ATOM 0 HE ARG A 55 1.203 -4.857 -11.412 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.632 -4.054 -14.329 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.388 -5.646 -15.055 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.504 -6.894 -12.357 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.814 -7.244 -13.945 1.00 0.00 H new ATOM 930 N LEU A 56 -4.288 0.555 -12.300 1.00 0.00 N ATOM 931 CA LEU A 56 -4.727 1.929 -12.072 1.00 0.00 C ATOM 932 C LEU A 56 -5.762 2.013 -10.949 1.00 0.00 C ATOM 933 O LEU A 56 -5.631 2.833 -10.041 1.00 0.00 O ATOM 934 CB LEU A 56 -5.304 2.520 -13.360 1.00 0.00 C ATOM 935 CG LEU A 56 -4.272 3.144 -14.304 1.00 0.00 C ATOM 936 CD1 LEU A 56 -4.959 3.778 -15.502 1.00 0.00 C ATOM 937 CD2 LEU A 56 -3.428 4.173 -13.564 1.00 0.00 C ATOM 0 H LEU A 56 -4.373 0.242 -13.267 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.855 2.507 -11.767 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.836 1.734 -13.896 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.039 3.280 -13.096 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.613 2.354 -14.666 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.210 4.216 -16.161 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.520 3.017 -16.045 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.641 4.556 -15.160 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.700 4.607 -14.249 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.073 4.960 -13.174 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.906 3.689 -12.738 1.00 0.00 H new ATOM 949 N PRO A 57 -6.816 1.174 -10.995 1.00 0.00 N ATOM 950 CA PRO A 57 -7.876 1.167 -9.983 1.00 0.00 C ATOM 951 C PRO A 57 -7.355 1.323 -8.553 1.00 0.00 C ATOM 952 O PRO A 57 -8.065 1.834 -7.687 1.00 0.00 O ATOM 953 CB PRO A 57 -8.551 -0.205 -10.163 1.00 0.00 C ATOM 954 CG PRO A 57 -7.816 -0.893 -11.272 1.00 0.00 C ATOM 955 CD PRO A 57 -7.084 0.173 -12.032 1.00 0.00 C ATOM 0 HA PRO A 57 -8.550 2.012 -10.120 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.500 -0.787 -9.243 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.607 -0.090 -10.409 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.120 -1.632 -10.875 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.509 -1.426 -11.923 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.164 -0.205 -12.478 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.688 0.580 -12.843 1.00 0.00 H new ATOM 963 N LEU A 58 -6.123 0.887 -8.301 1.00 0.00 N ATOM 964 CA LEU A 58 -5.546 0.994 -6.966 1.00 0.00 C ATOM 965 C LEU A 58 -5.236 2.448 -6.628 1.00 0.00 C ATOM 966 O LEU A 58 -5.377 2.872 -5.481 1.00 0.00 O ATOM 967 CB LEU A 58 -4.278 0.148 -6.864 1.00 0.00 C ATOM 968 CG LEU A 58 -4.406 -1.278 -7.407 1.00 0.00 C ATOM 969 CD1 LEU A 58 -3.046 -1.810 -7.835 1.00 0.00 C ATOM 970 CD2 LEU A 58 -5.032 -2.190 -6.362 1.00 0.00 C ATOM 0 H LEU A 58 -5.511 0.461 -8.997 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.276 0.620 -6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.477 0.655 -7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.977 0.097 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.057 -1.258 -8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.156 -2.824 -8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.634 -1.170 -8.615 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.372 -1.817 -6.978 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.116 -3.200 -6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.406 -2.205 -5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.024 -1.819 -6.103 1.00 0.00 H new ATOM 982 N PHE A 59 -4.823 3.210 -7.636 1.00 0.00 N ATOM 983 CA PHE A 59 -4.508 4.621 -7.448 1.00 0.00 C ATOM 984 C PHE A 59 -5.722 5.365 -6.897 1.00 0.00 C ATOM 985 O PHE A 59 -5.607 6.165 -5.969 1.00 0.00 O ATOM 986 CB PHE A 59 -4.067 5.246 -8.773 1.00 0.00 C ATOM 987 CG PHE A 59 -2.801 6.048 -8.672 1.00 0.00 C ATOM 988 CD1 PHE A 59 -1.569 5.417 -8.578 1.00 0.00 C ATOM 989 CD2 PHE A 59 -2.841 7.433 -8.673 1.00 0.00 C ATOM 990 CE1 PHE A 59 -0.403 6.153 -8.487 1.00 0.00 C ATOM 991 CE2 PHE A 59 -1.678 8.174 -8.582 1.00 0.00 C ATOM 992 CZ PHE A 59 -0.458 7.533 -8.489 1.00 0.00 C ATOM 0 H PHE A 59 -4.699 2.874 -8.591 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.691 4.702 -6.731 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.927 4.454 -9.509 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.865 5.889 -9.144 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.521 4.338 -8.576 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.792 7.939 -8.746 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.550 5.650 -8.414 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.723 9.253 -8.584 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.452 8.110 -8.418 1.00 0.00 H new ATOM 1002 N ASP A 60 -6.884 5.085 -7.477 1.00 0.00 N ATOM 1003 CA ASP A 60 -8.129 5.710 -7.050 1.00 0.00 C ATOM 1004 C ASP A 60 -8.613 5.104 -5.737 1.00 0.00 C ATOM 1005 O ASP A 60 -9.253 5.776 -4.930 1.00 0.00 O ATOM 1006 CB ASP A 60 -9.202 5.548 -8.131 1.00 0.00 C ATOM 1007 CG ASP A 60 -9.493 6.845 -8.856 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -8.809 7.130 -9.862 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -10.406 7.577 -8.421 1.00 0.00 O ATOM 0 H ASP A 60 -6.989 4.426 -8.248 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.943 6.772 -6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.877 4.797 -8.852 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.120 5.176 -7.675 1.00 0.00 H new ATOM 1014 N ALA A 61 -8.306 3.829 -5.539 1.00 0.00 N ATOM 1015 CA ALA A 61 -8.705 3.110 -4.334 1.00 0.00 C ATOM 1016 C ALA A 61 -8.083 3.721 -3.079 1.00 0.00 C ATOM 1017 O ALA A 61 -8.787 4.145 -2.164 1.00 0.00 O ATOM 1018 CB ALA A 61 -8.309 1.647 -4.462 1.00 0.00 C ATOM 0 H ALA A 61 -7.776 3.266 -6.204 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.787 3.190 -4.232 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.607 1.109 -3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.807 1.210 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.229 1.572 -4.589 1.00 0.00 H new ATOM 1024 N ILE A 62 -6.756 3.742 -3.044 1.00 0.00 N ATOM 1025 CA ILE A 62 -6.011 4.277 -1.909 1.00 0.00 C ATOM 1026 C ILE A 62 -6.317 5.756 -1.657 1.00 0.00 C ATOM 1027 O ILE A 62 -6.379 6.200 -0.511 1.00 0.00 O ATOM 1028 CB ILE A 62 -4.492 4.092 -2.139 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -3.786 3.751 -0.826 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -3.871 5.327 -2.784 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -3.119 2.392 -0.838 1.00 0.00 C ATOM 0 H ILE A 62 -6.167 3.390 -3.799 1.00 0.00 H new ATOM 0 HA ILE A 62 -6.325 3.721 -1.026 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.359 3.259 -2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.036 4.514 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.511 3.785 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.804 5.163 -2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.346 5.512 -3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.019 6.190 -2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.638 2.214 0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.868 1.621 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.370 2.361 -1.630 1.00 0.00 H new ATOM 1043 N ARG A 63 -6.480 6.509 -2.739 1.00 0.00 N ATOM 1044 CA ARG A 63 -6.752 7.950 -2.661 1.00 0.00 C ATOM 1045 C ARG A 63 -7.690 8.315 -1.501 1.00 0.00 C ATOM 1046 O ARG A 63 -7.279 8.996 -0.565 1.00 0.00 O ATOM 1047 CB ARG A 63 -7.333 8.452 -3.987 1.00 0.00 C ATOM 1048 CG ARG A 63 -6.332 9.222 -4.833 1.00 0.00 C ATOM 1049 CD ARG A 63 -6.981 10.411 -5.523 1.00 0.00 C ATOM 1050 NE ARG A 63 -8.182 10.027 -6.260 1.00 0.00 N ATOM 1051 CZ ARG A 63 -8.768 10.795 -7.175 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -8.265 11.987 -7.471 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -9.859 10.369 -7.798 1.00 0.00 N ATOM 0 H ARG A 63 -6.429 6.147 -3.691 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.799 8.443 -2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.702 7.600 -4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.191 9.092 -3.780 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.513 9.569 -4.203 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.900 8.558 -5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.238 11.166 -4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.266 10.868 -6.207 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.596 9.116 -6.062 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.425 12.318 -6.996 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.718 12.572 -8.173 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.248 9.453 -7.576 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.308 10.958 -8.499 1.00 0.00 H new ATOM 1067 N PRO A 64 -8.965 7.880 -1.549 1.00 0.00 N ATOM 1068 CA PRO A 64 -9.947 8.178 -0.501 1.00 0.00 C ATOM 1069 C PRO A 64 -9.364 8.136 0.910 1.00 0.00 C ATOM 1070 O PRO A 64 -9.794 8.881 1.790 1.00 0.00 O ATOM 1071 CB PRO A 64 -10.975 7.064 -0.684 1.00 0.00 C ATOM 1072 CG PRO A 64 -10.951 6.764 -2.144 1.00 0.00 C ATOM 1073 CD PRO A 64 -9.556 7.074 -2.632 1.00 0.00 C ATOM 0 HA PRO A 64 -10.345 9.188 -0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.715 6.185 -0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -11.966 7.383 -0.361 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.201 5.719 -2.328 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.689 7.366 -2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.984 6.163 -2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.576 7.624 -3.573 1.00 0.00 H new ATOM 1081 N LEU A 65 -8.378 7.270 1.119 1.00 0.00 N ATOM 1082 CA LEU A 65 -7.733 7.148 2.420 1.00 0.00 C ATOM 1083 C LEU A 65 -6.994 8.431 2.751 1.00 0.00 C ATOM 1084 O LEU A 65 -7.093 8.967 3.854 1.00 0.00 O ATOM 1085 CB LEU A 65 -6.761 5.968 2.432 1.00 0.00 C ATOM 1086 CG LEU A 65 -7.292 4.678 1.808 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -6.199 3.625 1.759 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -8.497 4.168 2.584 1.00 0.00 C ATOM 0 H LEU A 65 -8.009 6.643 0.404 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.501 6.970 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.853 6.261 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.477 5.763 3.464 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.609 4.891 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.593 2.712 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.366 3.993 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.852 3.413 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.862 3.249 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.208 3.969 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.286 4.920 2.567 1.00 0.00 H new ATOM 1100 N ILE A 66 -6.253 8.909 1.764 1.00 0.00 N ATOM 1101 CA ILE A 66 -5.478 10.129 1.890 1.00 0.00 C ATOM 1102 C ILE A 66 -6.359 11.301 2.334 1.00 0.00 C ATOM 1103 O ILE A 66 -7.444 11.511 1.792 1.00 0.00 O ATOM 1104 CB ILE A 66 -4.800 10.457 0.540 1.00 0.00 C ATOM 1105 CG1 ILE A 66 -3.487 9.683 0.400 1.00 0.00 C ATOM 1106 CG2 ILE A 66 -4.563 11.947 0.390 1.00 0.00 C ATOM 1107 CD1 ILE A 66 -3.522 8.633 -0.688 1.00 0.00 C ATOM 0 H ILE A 66 -6.173 8.460 0.852 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.715 9.974 2.653 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.473 10.147 -0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.680 10.385 0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.254 9.203 1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.085 12.145 -0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.516 12.473 0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.917 12.296 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.560 8.123 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.307 7.909 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.725 9.110 -1.647 1.00 0.00 H new ATOM 1119 N PRO A 67 -5.899 12.086 3.329 1.00 0.00 N ATOM 1120 CA PRO A 67 -6.651 13.241 3.834 1.00 0.00 C ATOM 1121 C PRO A 67 -7.085 14.180 2.713 1.00 0.00 C ATOM 1122 O PRO A 67 -6.592 14.085 1.591 1.00 0.00 O ATOM 1123 CB PRO A 67 -5.653 13.938 4.762 1.00 0.00 C ATOM 1124 CG PRO A 67 -4.723 12.860 5.196 1.00 0.00 C ATOM 1125 CD PRO A 67 -4.614 11.914 4.032 1.00 0.00 C ATOM 0 HA PRO A 67 -7.575 12.943 4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.120 14.735 4.243 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.157 14.393 5.615 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.747 13.269 5.459 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.104 12.349 6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.769 12.163 3.390 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.472 10.885 4.363 1.00 0.00 H new ATOM 1133 N LEU A 68 -8.011 15.083 3.022 1.00 0.00 N ATOM 1134 CA LEU A 68 -8.509 16.035 2.035 1.00 0.00 C ATOM 1135 C LEU A 68 -7.366 16.849 1.436 1.00 0.00 C ATOM 1136 O LEU A 68 -7.167 16.856 0.222 1.00 0.00 O ATOM 1137 CB LEU A 68 -9.543 16.968 2.671 1.00 0.00 C ATOM 1138 CG LEU A 68 -10.765 17.269 1.800 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -11.774 16.136 1.887 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -11.400 18.587 2.216 1.00 0.00 C ATOM 0 H LEU A 68 -8.431 15.175 3.947 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.985 15.472 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.883 16.525 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.054 17.909 2.923 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.439 17.356 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.636 16.368 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.313 15.211 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.098 16.016 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.268 18.787 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.713 18.527 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -10.675 19.393 2.101 1.00 0.00 H new ATOM 1152 N LYS A 69 -6.614 17.530 2.294 1.00 0.00 N ATOM 1153 CA LYS A 69 -5.486 18.339 1.844 1.00 0.00 C ATOM 1154 C LYS A 69 -4.488 17.479 1.078 1.00 0.00 C ATOM 1155 O LYS A 69 -4.106 17.798 -0.051 1.00 0.00 O ATOM 1156 CB LYS A 69 -4.799 19.004 3.039 1.00 0.00 C ATOM 1157 CG LYS A 69 -3.618 19.880 2.653 1.00 0.00 C ATOM 1158 CD LYS A 69 -3.101 20.673 3.841 1.00 0.00 C ATOM 1159 CE LYS A 69 -3.918 21.934 4.070 1.00 0.00 C ATOM 1160 NZ LYS A 69 -3.192 23.155 3.619 1.00 0.00 N ATOM 0 H LYS A 69 -6.764 17.538 3.303 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.862 19.116 1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.529 19.609 3.576 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.457 18.231 3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.817 19.258 2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.916 20.565 1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.132 20.051 4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.057 20.940 3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.864 21.856 3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.157 22.024 5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.782 23.994 3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.301 23.244 4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.986 23.081 2.602 1.00 0.00 H new ATOM 1174 N HIS A 70 -4.079 16.377 1.696 1.00 0.00 N ATOM 1175 CA HIS A 70 -3.137 15.459 1.074 1.00 0.00 C ATOM 1176 C HIS A 70 -3.702 14.923 -0.237 1.00 0.00 C ATOM 1177 O HIS A 70 -2.956 14.610 -1.164 1.00 0.00 O ATOM 1178 CB HIS A 70 -2.816 14.303 2.023 1.00 0.00 C ATOM 1179 CG HIS A 70 -1.973 14.705 3.193 1.00 0.00 C ATOM 1180 ND1 HIS A 70 -1.259 13.802 3.953 1.00 0.00 N ATOM 1181 CD2 HIS A 70 -1.731 15.923 3.735 1.00 0.00 C ATOM 1182 CE1 HIS A 70 -0.617 14.447 4.911 1.00 0.00 C ATOM 1183 NE2 HIS A 70 -0.884 15.733 4.799 1.00 0.00 N ATOM 0 H HIS A 70 -4.386 16.099 2.628 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.216 16.002 0.860 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -3.749 13.874 2.388 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.301 13.520 1.467 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.130 16.867 3.394 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.019 13.997 5.659 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.520 16.468 5.405 1.00 0.00 H new ATOM 1192 N GLN A 71 -5.030 14.828 -0.310 1.00 0.00 N ATOM 1193 CA GLN A 71 -5.691 14.343 -1.513 1.00 0.00 C ATOM 1194 C GLN A 71 -5.398 15.271 -2.684 1.00 0.00 C ATOM 1195 O GLN A 71 -5.100 14.820 -3.791 1.00 0.00 O ATOM 1196 CB GLN A 71 -7.203 14.235 -1.289 1.00 0.00 C ATOM 1197 CG GLN A 71 -7.709 12.803 -1.234 1.00 0.00 C ATOM 1198 CD GLN A 71 -9.099 12.654 -1.821 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -9.262 12.192 -2.951 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -10.109 13.045 -1.054 1.00 0.00 N ATOM 0 H GLN A 71 -5.663 15.080 0.449 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.304 13.351 -1.744 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.461 14.739 -0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.719 14.763 -2.090 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.019 12.156 -1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.718 12.464 -0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.927 13.422 -0.124 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.067 12.969 -1.395 1.00 0.00 H new ATOM 1209 N VAL A 72 -5.472 16.571 -2.424 1.00 0.00 N ATOM 1210 CA VAL A 72 -5.200 17.568 -3.448 1.00 0.00 C ATOM 1211 C VAL A 72 -3.759 17.455 -3.918 1.00 0.00 C ATOM 1212 O VAL A 72 -3.479 17.459 -5.118 1.00 0.00 O ATOM 1213 CB VAL A 72 -5.454 18.998 -2.932 1.00 0.00 C ATOM 1214 CG1 VAL A 72 -5.306 20.009 -4.058 1.00 0.00 C ATOM 1215 CG2 VAL A 72 -6.832 19.099 -2.292 1.00 0.00 C ATOM 0 H VAL A 72 -5.718 16.958 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.879 17.377 -4.279 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.707 19.226 -2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.489 21.012 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.296 19.955 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.026 19.785 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.993 20.116 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.595 18.849 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.896 18.405 -1.454 1.00 0.00 H new ATOM 1225 N GLU A 73 -2.848 17.339 -2.960 1.00 0.00 N ATOM 1226 CA GLU A 73 -1.430 17.204 -3.269 1.00 0.00 C ATOM 1227 C GLU A 73 -1.184 15.915 -4.045 1.00 0.00 C ATOM 1228 O GLU A 73 -0.383 15.880 -4.980 1.00 0.00 O ATOM 1229 CB GLU A 73 -0.599 17.219 -1.985 1.00 0.00 C ATOM 1230 CG GLU A 73 0.413 18.354 -1.930 1.00 0.00 C ATOM 1231 CD GLU A 73 1.665 17.983 -1.160 1.00 0.00 C ATOM 1232 OE1 GLU A 73 2.570 17.367 -1.761 1.00 0.00 O ATOM 1233 OE2 GLU A 73 1.740 18.309 0.044 1.00 0.00 O ATOM 0 H GLU A 73 -3.065 17.336 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.125 18.049 -3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.269 17.298 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.073 16.269 -1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.687 18.641 -2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.049 19.226 -1.466 1.00 0.00 H new ATOM 1240 N TYR A 74 -1.890 14.858 -3.655 1.00 0.00 N ATOM 1241 CA TYR A 74 -1.764 13.566 -4.316 1.00 0.00 C ATOM 1242 C TYR A 74 -2.134 13.687 -5.790 1.00 0.00 C ATOM 1243 O TYR A 74 -1.486 13.103 -6.657 1.00 0.00 O ATOM 1244 CB TYR A 74 -2.660 12.530 -3.632 1.00 0.00 C ATOM 1245 CG TYR A 74 -2.592 11.153 -4.256 1.00 0.00 C ATOM 1246 CD1 TYR A 74 -3.405 10.815 -5.332 1.00 0.00 C ATOM 1247 CD2 TYR A 74 -1.716 10.191 -3.768 1.00 0.00 C ATOM 1248 CE1 TYR A 74 -3.347 9.556 -5.901 1.00 0.00 C ATOM 1249 CE2 TYR A 74 -1.653 8.931 -4.332 1.00 0.00 C ATOM 1250 CZ TYR A 74 -2.471 8.619 -5.398 1.00 0.00 C ATOM 1251 OH TYR A 74 -2.412 7.366 -5.962 1.00 0.00 O ATOM 0 H TYR A 74 -2.556 14.872 -2.883 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.727 13.238 -4.241 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.378 12.457 -2.582 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.692 12.881 -3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.092 11.547 -5.730 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.074 10.432 -2.934 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.986 9.308 -6.736 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.967 8.195 -3.940 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.918 7.411 -6.807 1.00 0.00 H new ATOM 1261 N ASP A 75 -3.179 14.463 -6.060 1.00 0.00 N ATOM 1262 CA ASP A 75 -3.639 14.680 -7.425 1.00 0.00 C ATOM 1263 C ASP A 75 -2.545 15.334 -8.261 1.00 0.00 C ATOM 1264 O ASP A 75 -2.179 14.837 -9.326 1.00 0.00 O ATOM 1265 CB ASP A 75 -4.895 15.556 -7.429 1.00 0.00 C ATOM 1266 CG ASP A 75 -6.153 14.763 -7.729 1.00 0.00 C ATOM 1267 OD1 ASP A 75 -6.146 13.992 -8.712 1.00 0.00 O ATOM 1268 OD2 ASP A 75 -7.142 14.913 -6.984 1.00 0.00 O ATOM 0 H ASP A 75 -3.723 14.952 -5.349 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.881 13.712 -7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.998 16.043 -6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.781 16.346 -8.171 1.00 0.00 H new ATOM 1273 N GLN A 76 -2.023 16.452 -7.765 1.00 0.00 N ATOM 1274 CA GLN A 76 -0.965 17.175 -8.460 1.00 0.00 C ATOM 1275 C GLN A 76 0.330 16.362 -8.498 1.00 0.00 C ATOM 1276 O GLN A 76 1.242 16.673 -9.263 1.00 0.00 O ATOM 1277 CB GLN A 76 -0.712 18.524 -7.783 1.00 0.00 C ATOM 1278 CG GLN A 76 -1.970 19.358 -7.605 1.00 0.00 C ATOM 1279 CD GLN A 76 -1.785 20.482 -6.605 1.00 0.00 C ATOM 1280 OE1 GLN A 76 -1.145 20.309 -5.568 1.00 0.00 O ATOM 1281 NE2 GLN A 76 -2.348 21.646 -6.911 1.00 0.00 N ATOM 0 H GLN A 76 -2.316 16.876 -6.885 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.293 17.343 -9.486 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.258 18.352 -6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.008 19.089 -8.374 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.263 19.777 -8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.785 18.714 -7.276 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.870 21.747 -7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.258 22.439 -6.276 1.00 0.00 H new ATOM 1290 N LEU A 77 0.409 15.328 -7.662 1.00 0.00 N ATOM 1291 CA LEU A 77 1.599 14.486 -7.597 1.00 0.00 C ATOM 1292 C LEU A 77 1.498 13.282 -8.534 1.00 0.00 C ATOM 1293 O LEU A 77 2.510 12.684 -8.895 1.00 0.00 O ATOM 1294 CB LEU A 77 1.828 14.007 -6.164 1.00 0.00 C ATOM 1295 CG LEU A 77 2.374 15.066 -5.205 1.00 0.00 C ATOM 1296 CD1 LEU A 77 2.175 14.632 -3.761 1.00 0.00 C ATOM 1297 CD2 LEU A 77 3.845 15.332 -5.486 1.00 0.00 C ATOM 0 H LEU A 77 -0.337 15.055 -7.022 1.00 0.00 H new ATOM 0 HA LEU A 77 2.445 15.092 -7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.884 13.632 -5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.521 13.166 -6.185 1.00 0.00 H new ATOM 0 HG LEU A 77 1.821 15.992 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.570 15.398 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.112 14.493 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.701 13.693 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.217 16.088 -4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.413 14.411 -5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.961 15.688 -6.510 1.00 0.00 H new ATOM 1309 N THR A 78 0.276 12.922 -8.920 1.00 0.00 N ATOM 1310 CA THR A 78 0.067 11.779 -9.808 1.00 0.00 C ATOM 1311 C THR A 78 0.839 11.929 -11.123 1.00 0.00 C ATOM 1312 O THR A 78 1.389 10.952 -11.631 1.00 0.00 O ATOM 1313 CB THR A 78 -1.423 11.572 -10.096 1.00 0.00 C ATOM 1314 OG1 THR A 78 -1.885 12.489 -11.072 1.00 0.00 O ATOM 1315 CG2 THR A 78 -2.298 11.725 -8.871 1.00 0.00 C ATOM 0 H THR A 78 -0.579 13.400 -8.635 1.00 0.00 H new ATOM 0 HA THR A 78 0.452 10.901 -9.290 1.00 0.00 H new ATOM 0 HB THR A 78 -1.502 10.546 -10.455 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.838 12.336 -11.240 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.341 11.566 -9.146 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.005 10.991 -8.120 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.180 12.729 -8.463 1.00 0.00 H new ATOM 1323 N PRO A 79 0.902 13.148 -11.700 1.00 0.00 N ATOM 1324 CA PRO A 79 1.621 13.377 -12.958 1.00 0.00 C ATOM 1325 C PRO A 79 3.072 12.918 -12.886 1.00 0.00 C ATOM 1326 O PRO A 79 3.544 12.179 -13.749 1.00 0.00 O ATOM 1327 CB PRO A 79 1.550 14.896 -13.144 1.00 0.00 C ATOM 1328 CG PRO A 79 0.356 15.317 -12.362 1.00 0.00 C ATOM 1329 CD PRO A 79 0.287 14.385 -11.185 1.00 0.00 C ATOM 0 HA PRO A 79 1.183 12.815 -13.783 1.00 0.00 H new ATOM 0 HB2 PRO A 79 2.454 15.382 -12.778 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.448 15.162 -14.196 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.448 16.353 -12.035 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.549 15.252 -12.966 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.832 14.779 -10.327 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.741 14.220 -10.862 1.00 0.00 H new ATOM 1337 N ARG A 80 3.774 13.358 -11.846 1.00 0.00 N ATOM 1338 CA ARG A 80 5.173 12.992 -11.655 1.00 0.00 C ATOM 1339 C ARG A 80 5.714 13.586 -10.360 1.00 0.00 C ATOM 1340 O ARG A 80 5.048 14.391 -9.709 1.00 0.00 O ATOM 1341 CB ARG A 80 6.015 13.470 -12.840 1.00 0.00 C ATOM 1342 CG ARG A 80 6.057 14.984 -12.986 1.00 0.00 C ATOM 1343 CD ARG A 80 5.402 15.440 -14.281 1.00 0.00 C ATOM 1344 NE ARG A 80 6.008 14.811 -15.452 1.00 0.00 N ATOM 1345 CZ ARG A 80 5.938 15.315 -16.683 1.00 0.00 C ATOM 1346 NH1 ARG A 80 5.287 16.448 -16.910 1.00 0.00 N ATOM 1347 NH2 ARG A 80 6.522 14.679 -17.691 1.00 0.00 N ATOM 0 H ARG A 80 3.396 13.969 -11.122 1.00 0.00 H new ATOM 0 HA ARG A 80 5.234 11.906 -11.592 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.032 13.096 -12.726 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.616 13.036 -13.757 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.550 15.446 -12.139 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.092 15.324 -12.962 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.338 15.203 -14.252 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.485 16.523 -14.368 1.00 0.00 H new ATOM 0 HE ARG A 80 6.514 13.935 -15.319 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.835 16.940 -16.139 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.238 16.827 -17.856 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.023 13.807 -17.522 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.470 15.063 -18.635 1.00 0.00 H new TER 1361 ARG A 80 ATOM 1362 N GLY B 98 -10.342 11.119 9.497 1.00 0.00 N ATOM 1363 CA GLY B 98 -10.547 9.916 10.283 1.00 0.00 C ATOM 1364 C GLY B 98 -9.450 8.888 10.080 1.00 0.00 C ATOM 1365 O GLY B 98 -9.331 7.939 10.854 1.00 0.00 O ATOM 0 HA2 GLY B 98 -10.599 10.182 11.339 1.00 0.00 H new ATOM 0 HA3 GLY B 98 -11.507 9.473 10.018 1.00 0.00 H new ATOM 1369 N SER B 99 -8.646 9.072 9.034 1.00 0.00 N ATOM 1370 CA SER B 99 -7.557 8.148 8.737 1.00 0.00 C ATOM 1371 C SER B 99 -8.096 6.760 8.413 1.00 0.00 C ATOM 1372 O SER B 99 -8.272 5.927 9.301 1.00 0.00 O ATOM 1373 CB SER B 99 -6.588 8.070 9.920 1.00 0.00 C ATOM 1374 OG SER B 99 -5.521 8.990 9.769 1.00 0.00 O ATOM 0 H SER B 99 -8.729 9.851 8.381 1.00 0.00 H new ATOM 0 HA SER B 99 -7.023 8.523 7.864 1.00 0.00 H new ATOM 0 HB2 SER B 99 -7.123 8.278 10.846 1.00 0.00 H new ATOM 0 HB3 SER B 99 -6.191 7.058 10.002 1.00 0.00 H new ATOM 0 HG SER B 99 -4.918 8.921 10.538 1.00 0.00 H new ATOM 1380 N LEU B 100 -8.357 6.518 7.131 1.00 0.00 N ATOM 1381 CA LEU B 100 -8.879 5.232 6.685 1.00 0.00 C ATOM 1382 C LEU B 100 -7.748 4.305 6.245 1.00 0.00 C ATOM 1383 O LEU B 100 -7.864 3.081 6.333 1.00 0.00 O ATOM 1384 CB LEU B 100 -9.867 5.432 5.536 1.00 0.00 C ATOM 1385 CG LEU B 100 -11.013 6.402 5.828 1.00 0.00 C ATOM 1386 CD1 LEU B 100 -11.732 6.783 4.542 1.00 0.00 C ATOM 1387 CD2 LEU B 100 -11.986 5.792 6.826 1.00 0.00 C ATOM 0 H LEU B 100 -8.215 7.197 6.383 1.00 0.00 H new ATOM 0 HA LEU B 100 -9.396 4.768 7.524 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -9.320 5.792 4.665 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -10.290 4.464 5.268 1.00 0.00 H new ATOM 0 HG LEU B 100 -10.594 7.308 6.267 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -12.544 7.474 4.770 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -11.029 7.262 3.860 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -12.139 5.887 4.073 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -12.795 6.496 7.022 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -12.398 4.870 6.415 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -11.463 5.572 7.757 1.00 0.00 H new ATOM 1399 N LEU B 101 -6.653 4.894 5.772 1.00 0.00 N ATOM 1400 CA LEU B 101 -5.505 4.114 5.321 1.00 0.00 C ATOM 1401 C LEU B 101 -5.073 3.117 6.390 1.00 0.00 C ATOM 1402 O LEU B 101 -4.719 1.980 6.082 1.00 0.00 O ATOM 1403 CB LEU B 101 -4.337 5.034 4.951 1.00 0.00 C ATOM 1404 CG LEU B 101 -3.924 6.037 6.031 1.00 0.00 C ATOM 1405 CD1 LEU B 101 -2.413 6.214 6.043 1.00 0.00 C ATOM 1406 CD2 LEU B 101 -4.619 7.375 5.810 1.00 0.00 C ATOM 0 H LEU B 101 -6.537 5.904 5.691 1.00 0.00 H new ATOM 0 HA LEU B 101 -5.804 3.558 4.432 1.00 0.00 H new ATOM 0 HB2 LEU B 101 -3.474 4.416 4.704 1.00 0.00 H new ATOM 0 HB3 LEU B 101 -4.603 5.586 4.049 1.00 0.00 H new ATOM 0 HG LEU B 101 -4.232 5.647 7.001 1.00 0.00 H new ATOM 0 HD11 LEU B 101 -2.137 6.930 6.817 1.00 0.00 H new ATOM 0 HD12 LEU B 101 -1.936 5.256 6.249 1.00 0.00 H new ATOM 0 HD13 LEU B 101 -2.082 6.583 5.072 1.00 0.00 H new ATOM 0 HD21 LEU B 101 -4.314 8.076 6.587 1.00 0.00 H new ATOM 0 HD22 LEU B 101 -4.342 7.772 4.834 1.00 0.00 H new ATOM 0 HD23 LEU B 101 -5.699 7.235 5.851 1.00 0.00 H new ATOM 1418 N LYS B 102 -5.114 3.549 7.649 1.00 0.00 N ATOM 1419 CA LYS B 102 -4.735 2.690 8.764 1.00 0.00 C ATOM 1420 C LYS B 102 -5.640 1.465 8.829 1.00 0.00 C ATOM 1421 O LYS B 102 -5.175 0.344 9.050 1.00 0.00 O ATOM 1422 CB LYS B 102 -4.811 3.463 10.082 1.00 0.00 C ATOM 1423 CG LYS B 102 -4.256 2.693 11.270 1.00 0.00 C ATOM 1424 CD LYS B 102 -4.293 3.527 12.541 1.00 0.00 C ATOM 1425 CE LYS B 102 -5.721 3.807 12.979 1.00 0.00 C ATOM 1426 NZ LYS B 102 -6.432 2.563 13.387 1.00 0.00 N ATOM 0 H LYS B 102 -5.406 4.488 7.920 1.00 0.00 H new ATOM 0 HA LYS B 102 -3.708 2.359 8.606 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.262 4.399 9.977 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.850 3.724 10.282 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -4.834 1.780 11.415 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -3.230 2.391 11.062 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -3.763 3.004 13.337 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -3.770 4.469 12.375 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -5.714 4.510 13.812 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -6.264 4.284 12.163 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -7.304 2.813 13.896 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -6.672 2.007 12.541 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -5.817 2.000 14.009 1.00 0.00 H new ATOM 1440 N GLU B 103 -6.935 1.688 8.629 1.00 0.00 N ATOM 1441 CA GLU B 103 -7.910 0.607 8.661 1.00 0.00 C ATOM 1442 C GLU B 103 -7.600 -0.436 7.595 1.00 0.00 C ATOM 1443 O GLU B 103 -7.760 -1.636 7.821 1.00 0.00 O ATOM 1444 CB GLU B 103 -9.322 1.157 8.454 1.00 0.00 C ATOM 1445 CG GLU B 103 -9.865 1.911 9.657 1.00 0.00 C ATOM 1446 CD GLU B 103 -10.335 3.309 9.309 1.00 0.00 C ATOM 1447 OE1 GLU B 103 -11.040 3.463 8.290 1.00 0.00 O ATOM 1448 OE2 GLU B 103 -9.997 4.252 10.056 1.00 0.00 O ATOM 0 H GLU B 103 -7.332 2.609 8.443 1.00 0.00 H new ATOM 0 HA GLU B 103 -7.853 0.131 9.640 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -9.321 1.821 7.590 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -9.994 0.331 8.220 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -10.694 1.350 10.088 1.00 0.00 H new ATOM 0 HG3 GLU B 103 -9.091 1.972 10.422 1.00 0.00 H new ATOM 1455 N VAL B 104 -7.164 0.030 6.430 1.00 0.00 N ATOM 1456 CA VAL B 104 -6.840 -0.868 5.328 1.00 0.00 C ATOM 1457 C VAL B 104 -5.608 -1.709 5.641 1.00 0.00 C ATOM 1458 O VAL B 104 -5.547 -2.889 5.288 1.00 0.00 O ATOM 1459 CB VAL B 104 -6.628 -0.097 4.011 1.00 0.00 C ATOM 1460 CG1 VAL B 104 -6.465 -1.063 2.845 1.00 0.00 C ATOM 1461 CG2 VAL B 104 -7.790 0.852 3.767 1.00 0.00 C ATOM 0 H VAL B 104 -7.027 1.020 6.225 1.00 0.00 H new ATOM 0 HA VAL B 104 -7.694 -1.534 5.202 1.00 0.00 H new ATOM 0 HB VAL B 104 -5.713 0.490 4.093 1.00 0.00 H new ATOM 0 HG11 VAL B 104 -6.316 -0.500 1.924 1.00 0.00 H new ATOM 0 HG12 VAL B 104 -5.601 -1.704 3.022 1.00 0.00 H new ATOM 0 HG13 VAL B 104 -7.361 -1.678 2.754 1.00 0.00 H new ATOM 0 HG21 VAL B 104 -7.629 1.391 2.834 1.00 0.00 H new ATOM 0 HG22 VAL B 104 -8.717 0.283 3.702 1.00 0.00 H new ATOM 0 HG23 VAL B 104 -7.858 1.563 4.590 1.00 0.00 H new ATOM 1471 N LEU B 105 -4.631 -1.113 6.321 1.00 0.00 N ATOM 1472 CA LEU B 105 -3.418 -1.841 6.689 1.00 0.00 C ATOM 1473 C LEU B 105 -3.774 -3.003 7.605 1.00 0.00 C ATOM 1474 O LEU B 105 -3.278 -4.118 7.439 1.00 0.00 O ATOM 1475 CB LEU B 105 -2.404 -0.927 7.390 1.00 0.00 C ATOM 1476 CG LEU B 105 -2.432 0.542 6.970 1.00 0.00 C ATOM 1477 CD1 LEU B 105 -1.260 1.293 7.586 1.00 0.00 C ATOM 1478 CD2 LEU B 105 -2.410 0.668 5.456 1.00 0.00 C ATOM 0 H LEU B 105 -4.654 -0.140 6.626 1.00 0.00 H new ATOM 0 HA LEU B 105 -2.961 -2.216 5.773 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -2.576 -0.981 8.465 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -1.403 -1.319 7.208 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.358 0.986 7.336 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -1.295 2.338 7.277 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -1.321 1.234 8.673 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -0.324 0.846 7.250 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -2.431 1.722 5.178 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -1.502 0.207 5.066 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -3.281 0.165 5.036 1.00 0.00 H new ATOM 1490 N GLU B 106 -4.645 -2.730 8.572 1.00 0.00 N ATOM 1491 CA GLU B 106 -5.082 -3.750 9.517 1.00 0.00 C ATOM 1492 C GLU B 106 -5.876 -4.838 8.803 1.00 0.00 C ATOM 1493 O GLU B 106 -5.772 -6.018 9.140 1.00 0.00 O ATOM 1494 CB GLU B 106 -5.932 -3.120 10.624 1.00 0.00 C ATOM 1495 CG GLU B 106 -5.162 -2.859 11.908 1.00 0.00 C ATOM 1496 CD GLU B 106 -5.983 -3.142 13.150 1.00 0.00 C ATOM 1497 OE1 GLU B 106 -6.729 -2.240 13.586 1.00 0.00 O ATOM 1498 OE2 GLU B 106 -5.883 -4.265 13.688 1.00 0.00 O ATOM 0 H GLU B 106 -5.061 -1.811 8.721 1.00 0.00 H new ATOM 0 HA GLU B 106 -4.198 -4.203 9.966 1.00 0.00 H new ATOM 0 HB2 GLU B 106 -6.347 -2.180 10.261 1.00 0.00 H new ATOM 0 HB3 GLU B 106 -6.774 -3.777 10.842 1.00 0.00 H new ATOM 0 HG2 GLU B 106 -4.265 -3.478 11.921 1.00 0.00 H new ATOM 0 HG3 GLU B 106 -4.832 -1.820 11.924 1.00 0.00 H new ATOM 1505 N ASP B 107 -6.666 -4.434 7.814 1.00 0.00 N ATOM 1506 CA ASP B 107 -7.474 -5.377 7.050 1.00 0.00 C ATOM 1507 C ASP B 107 -6.589 -6.409 6.359 1.00 0.00 C ATOM 1508 O ASP B 107 -6.919 -7.593 6.311 1.00 0.00 O ATOM 1509 CB ASP B 107 -8.319 -4.635 6.012 1.00 0.00 C ATOM 1510 CG ASP B 107 -9.250 -3.620 6.646 1.00 0.00 C ATOM 1511 OD1 ASP B 107 -9.641 -3.823 7.815 1.00 0.00 O ATOM 1512 OD2 ASP B 107 -9.590 -2.624 5.974 1.00 0.00 O ATOM 0 H ASP B 107 -6.764 -3.461 7.523 1.00 0.00 H new ATOM 0 HA ASP B 107 -8.138 -5.895 7.742 1.00 0.00 H new ATOM 0 HB2 ASP B 107 -7.661 -4.129 5.306 1.00 0.00 H new ATOM 0 HB3 ASP B 107 -8.905 -5.356 5.442 1.00 0.00 H new ATOM 1517 N TYR B 108 -5.462 -5.947 5.830 1.00 0.00 N ATOM 1518 CA TYR B 108 -4.521 -6.826 5.145 1.00 0.00 C ATOM 1519 C TYR B 108 -3.767 -7.694 6.144 1.00 0.00 C ATOM 1520 O TYR B 108 -3.621 -8.904 5.955 1.00 0.00 O ATOM 1521 CB TYR B 108 -3.529 -6.002 4.322 1.00 0.00 C ATOM 1522 CG TYR B 108 -4.008 -5.702 2.921 1.00 0.00 C ATOM 1523 CD1 TYR B 108 -4.503 -6.711 2.106 1.00 0.00 C ATOM 1524 CD2 TYR B 108 -3.963 -4.410 2.413 1.00 0.00 C ATOM 1525 CE1 TYR B 108 -4.940 -6.442 0.823 1.00 0.00 C ATOM 1526 CE2 TYR B 108 -4.399 -4.132 1.132 1.00 0.00 C ATOM 1527 CZ TYR B 108 -4.885 -5.151 0.341 1.00 0.00 C ATOM 1528 OH TYR B 108 -5.321 -4.878 -0.936 1.00 0.00 O ATOM 0 H TYR B 108 -5.177 -4.968 5.862 1.00 0.00 H new ATOM 0 HA TYR B 108 -5.087 -7.475 4.477 1.00 0.00 H new ATOM 0 HB2 TYR B 108 -3.333 -5.063 4.839 1.00 0.00 H new ATOM 0 HB3 TYR B 108 -2.582 -6.539 4.266 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -4.547 -7.723 2.481 1.00 0.00 H new ATOM 0 HD2 TYR B 108 -3.581 -3.610 3.030 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -5.322 -7.238 0.201 1.00 0.00 H new ATOM 0 HE2 TYR B 108 -4.359 -3.122 0.752 1.00 0.00 H new ATOM 0 HH TYR B 108 -5.216 -3.921 -1.120 1.00 0.00 H new ATOM 1538 N LEU B 109 -3.294 -7.064 7.213 1.00 0.00 N ATOM 1539 CA LEU B 109 -2.553 -7.770 8.252 1.00 0.00 C ATOM 1540 C LEU B 109 -3.323 -8.999 8.717 1.00 0.00 C ATOM 1541 O LEU B 109 -2.745 -10.068 8.915 1.00 0.00 O ATOM 1542 CB LEU B 109 -2.283 -6.841 9.439 1.00 0.00 C ATOM 1543 CG LEU B 109 -0.976 -6.052 9.359 1.00 0.00 C ATOM 1544 CD1 LEU B 109 -1.067 -4.782 10.192 1.00 0.00 C ATOM 1545 CD2 LEU B 109 0.194 -6.910 9.818 1.00 0.00 C ATOM 0 H LEU B 109 -3.410 -6.065 7.383 1.00 0.00 H new ATOM 0 HA LEU B 109 -1.600 -8.093 7.833 1.00 0.00 H new ATOM 0 HB2 LEU B 109 -3.110 -6.136 9.525 1.00 0.00 H new ATOM 0 HB3 LEU B 109 -2.275 -7.436 10.352 1.00 0.00 H new ATOM 0 HG LEU B 109 -0.808 -5.769 8.320 1.00 0.00 H new ATOM 0 HD11 LEU B 109 -0.128 -4.233 10.123 1.00 0.00 H new ATOM 0 HD12 LEU B 109 -1.879 -4.159 9.818 1.00 0.00 H new ATOM 0 HD13 LEU B 109 -1.259 -5.043 11.233 1.00 0.00 H new ATOM 0 HD21 LEU B 109 1.116 -6.332 9.754 1.00 0.00 H new ATOM 0 HD22 LEU B 109 0.033 -7.223 10.849 1.00 0.00 H new ATOM 0 HD23 LEU B 109 0.272 -7.790 9.179 1.00 0.00 H new ATOM 1557 N ARG B 110 -4.630 -8.843 8.873 1.00 0.00 N ATOM 1558 CA ARG B 110 -5.480 -9.946 9.296 1.00 0.00 C ATOM 1559 C ARG B 110 -5.728 -10.892 8.131 1.00 0.00 C ATOM 1560 O ARG B 110 -5.822 -12.105 8.311 1.00 0.00 O ATOM 1561 CB ARG B 110 -6.807 -9.424 9.849 1.00 0.00 C ATOM 1562 CG ARG B 110 -6.756 -9.085 11.330 1.00 0.00 C ATOM 1563 CD ARG B 110 -7.923 -8.199 11.738 1.00 0.00 C ATOM 1564 NE ARG B 110 -9.140 -8.972 11.979 1.00 0.00 N ATOM 1565 CZ ARG B 110 -10.284 -8.441 12.401 1.00 0.00 C ATOM 1566 NH1 ARG B 110 -10.372 -7.136 12.632 1.00 0.00 N ATOM 1567 NH2 ARG B 110 -11.343 -9.214 12.595 1.00 0.00 N ATOM 0 H ARG B 110 -5.124 -7.965 8.713 1.00 0.00 H new ATOM 0 HA ARG B 110 -4.970 -10.491 10.090 1.00 0.00 H new ATOM 0 HB2 ARG B 110 -7.099 -8.535 9.291 1.00 0.00 H new ATOM 0 HB3 ARG B 110 -7.581 -10.173 9.682 1.00 0.00 H new ATOM 0 HG2 ARG B 110 -6.773 -10.004 11.916 1.00 0.00 H new ATOM 0 HG3 ARG B 110 -5.817 -8.580 11.557 1.00 0.00 H new ATOM 0 HD2 ARG B 110 -7.660 -7.646 12.640 1.00 0.00 H new ATOM 0 HD3 ARG B 110 -8.110 -7.463 10.956 1.00 0.00 H new ATOM 0 HE ARG B 110 -9.110 -9.978 11.814 1.00 0.00 H new ATOM 0 HH11 ARG B 110 -9.560 -6.536 12.486 1.00 0.00 H new ATOM 0 HH12 ARG B 110 -11.252 -6.734 12.956 1.00 0.00 H new ATOM 0 HH21 ARG B 110 -11.281 -10.217 12.421 1.00 0.00 H new ATOM 0 HH22 ARG B 110 -12.220 -8.806 12.919 1.00 0.00 H new ATOM 1581 N LEU B 111 -5.814 -10.328 6.933 1.00 0.00 N ATOM 1582 CA LEU B 111 -6.029 -11.125 5.735 1.00 0.00 C ATOM 1583 C LEU B 111 -4.861 -12.084 5.524 1.00 0.00 C ATOM 1584 O LEU B 111 -4.975 -13.065 4.788 1.00 0.00 O ATOM 1585 CB LEU B 111 -6.193 -10.218 4.513 1.00 0.00 C ATOM 1586 CG LEU B 111 -7.288 -10.646 3.532 1.00 0.00 C ATOM 1587 CD1 LEU B 111 -8.627 -10.052 3.939 1.00 0.00 C ATOM 1588 CD2 LEU B 111 -6.924 -10.229 2.115 1.00 0.00 C ATOM 0 H LEU B 111 -5.738 -9.325 6.767 1.00 0.00 H new ATOM 0 HA LEU B 111 -6.943 -11.705 5.863 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -6.409 -9.206 4.857 1.00 0.00 H new ATOM 0 HB3 LEU B 111 -5.243 -10.177 3.979 1.00 0.00 H new ATOM 0 HG LEU B 111 -7.373 -11.732 3.559 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -9.394 -10.366 3.231 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -8.891 -10.399 4.938 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -8.557 -8.964 3.940 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -7.713 -10.541 1.430 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -6.813 -9.146 2.072 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -5.985 -10.702 1.826 1.00 0.00 H new ATOM 1600 N LYS B 112 -3.735 -11.797 6.179 1.00 0.00 N ATOM 1601 CA LYS B 112 -2.550 -12.639 6.065 1.00 0.00 C ATOM 1602 C LYS B 112 -2.582 -13.763 7.092 1.00 0.00 C ATOM 1603 O LYS B 112 -2.335 -14.923 6.769 1.00 0.00 O ATOM 1604 CB LYS B 112 -1.281 -11.803 6.247 1.00 0.00 C ATOM 1605 CG LYS B 112 -1.074 -10.762 5.159 1.00 0.00 C ATOM 1606 CD LYS B 112 -1.109 -11.388 3.771 1.00 0.00 C ATOM 1607 CE LYS B 112 0.102 -10.984 2.945 1.00 0.00 C ATOM 1608 NZ LYS B 112 1.090 -12.093 2.828 1.00 0.00 N ATOM 0 H LYS B 112 -3.622 -10.989 6.792 1.00 0.00 H new ATOM 0 HA LYS B 112 -2.545 -13.080 5.068 1.00 0.00 H new ATOM 0 HB2 LYS B 112 -1.322 -11.302 7.214 1.00 0.00 H new ATOM 0 HB3 LYS B 112 -0.418 -12.469 6.270 1.00 0.00 H new ATOM 0 HG2 LYS B 112 -1.848 -9.998 5.234 1.00 0.00 H new ATOM 0 HG3 LYS B 112 -0.117 -10.263 5.310 1.00 0.00 H new ATOM 0 HD2 LYS B 112 -1.143 -12.474 3.861 1.00 0.00 H new ATOM 0 HD3 LYS B 112 -2.020 -11.083 3.256 1.00 0.00 H new ATOM 0 HE2 LYS B 112 -0.222 -10.680 1.950 1.00 0.00 H new ATOM 0 HE3 LYS B 112 0.581 -10.118 3.402 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 1.900 -11.777 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 1.419 -12.366 3.776 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 0.641 -12.911 2.369 1.00 0.00 H new ATOM 1622 N LYS B 113 -2.890 -13.406 8.332 1.00 0.00 N ATOM 1623 CA LYS B 113 -2.956 -14.380 9.415 1.00 0.00 C ATOM 1624 C LYS B 113 -4.315 -15.070 9.441 1.00 0.00 C ATOM 1625 O LYS B 113 -5.328 -14.394 9.159 1.00 0.00 O ATOM 1626 CB LYS B 113 -2.694 -13.696 10.759 1.00 0.00 C ATOM 1627 CG LYS B 113 -1.381 -12.931 10.807 1.00 0.00 C ATOM 1628 CD LYS B 113 -0.285 -13.743 11.476 1.00 0.00 C ATOM 1629 CE LYS B 113 0.614 -12.867 12.334 1.00 0.00 C ATOM 1630 NZ LYS B 113 0.972 -13.524 13.621 1.00 0.00 N ATOM 1631 OXT LYS B 113 -4.358 -16.281 9.744 1.00 0.00 O ATOM 0 H LYS B 113 -3.098 -12.448 8.614 1.00 0.00 H new ATOM 0 HA LYS B 113 -2.188 -15.134 9.242 1.00 0.00 H new ATOM 0 HB2 LYS B 113 -3.513 -13.009 10.973 1.00 0.00 H new ATOM 0 HB3 LYS B 113 -2.695 -14.449 11.547 1.00 0.00 H new ATOM 0 HG2 LYS B 113 -1.074 -12.670 9.794 1.00 0.00 H new ATOM 0 HG3 LYS B 113 -1.524 -11.996 11.348 1.00 0.00 H new ATOM 0 HD2 LYS B 113 -0.733 -14.521 12.094 1.00 0.00 H new ATOM 0 HD3 LYS B 113 0.313 -14.245 10.715 1.00 0.00 H new ATOM 0 HE2 LYS B 113 1.524 -12.632 11.782 1.00 0.00 H new ATOM 0 HE3 LYS B 113 0.111 -11.922 12.538 1.00 0.00 H new ATOM 0 HZ1 LYS B 113 1.585 -12.892 14.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 113 0.106 -13.726 14.160 1.00 0.00 H new ATOM 0 HZ3 LYS B 113 1.475 -14.414 13.428 1.00 0.00 H new TER 1645 LYS B 113