USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 700 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 ALA N :NH3+ 142:sc= 0.0232 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 0.928 (180deg=0.916) USER MOD Single : A 7 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= 0.968 (180deg=0.868) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.159 K(o=-0.16,f=-1) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -67:sc= 0.848 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -170:sc= 0.885 USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 0.955 (180deg=0.903) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0.393 (180deg=0.31) USER MOD Single : A 35 HIS : no HD1:sc= -4.62! K(o=-4.6!,f=-0.06) USER MOD Single : A 39 ASN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -113:sc= -0.0212 (180deg=-0.337) USER MOD Single : A 46 GLN : amide:sc= 0.847 K(o=0.85,f=-0.019) USER MOD Single : A 48 TYR OH : rot 165:sc= 0.547 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.948 K(o=0.95,f=-0.3) USER MOD Single : A 62 ASN : amide:sc= -0.0186 X(o=-0.019,f=0) USER MOD Single : A 64 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -170:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.257 K(o=-0.26,f=-9.3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.880 17.287 11.850 1.00 0.00 N ATOM 2 CA ALA A 1 0.958 18.010 10.983 1.00 0.00 C ATOM 3 C ALA A 1 -0.476 17.893 11.488 1.00 0.00 C ATOM 4 O ALA A 1 -0.885 16.843 11.984 1.00 0.00 O ATOM 5 CB ALA A 1 1.061 17.495 9.555 1.00 0.00 C ATOM 0 H1 ALA A 1 2.613 16.829 11.272 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.327 17.952 12.513 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.358 16.563 12.385 1.00 0.00 H new ATOM 0 HA ALA A 1 1.236 19.064 10.997 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.367 18.044 8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.078 17.637 9.189 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.812 16.434 9.532 1.00 0.00 H new ATOM 11 N ALA A 2 -1.235 18.976 11.359 1.00 0.00 N ATOM 12 CA ALA A 2 -2.640 18.975 11.748 1.00 0.00 C ATOM 13 C ALA A 2 -3.521 18.446 10.623 1.00 0.00 C ATOM 14 O ALA A 2 -4.449 19.122 10.175 1.00 0.00 O ATOM 15 CB ALA A 2 -3.076 20.377 12.148 1.00 0.00 C ATOM 0 H ALA A 2 -0.901 19.865 10.988 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.754 18.311 12.605 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.127 20.363 12.436 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.474 20.719 12.989 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.940 21.055 11.305 1.00 0.00 H new ATOM 21 N VAL A 3 -3.226 17.232 10.167 1.00 0.00 N ATOM 22 CA VAL A 3 -3.916 16.660 9.018 1.00 0.00 C ATOM 23 C VAL A 3 -4.403 15.245 9.317 1.00 0.00 C ATOM 24 O VAL A 3 -3.672 14.435 9.885 1.00 0.00 O ATOM 25 CB VAL A 3 -3.009 16.627 7.773 1.00 0.00 C ATOM 26 CG1 VAL A 3 -3.766 16.070 6.576 1.00 0.00 C ATOM 27 CG2 VAL A 3 -2.478 18.019 7.464 1.00 0.00 C ATOM 0 H VAL A 3 -2.514 16.627 10.576 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.773 17.302 8.815 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.163 15.972 7.981 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.110 16.054 5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.101 15.056 6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.631 16.700 6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.839 17.977 6.582 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.313 18.694 7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.901 18.385 8.313 1.00 0.00 H new ATOM 37 N ARG A 4 -5.642 14.959 8.930 1.00 0.00 N ATOM 38 CA ARG A 4 -6.269 13.684 9.263 1.00 0.00 C ATOM 39 C ARG A 4 -6.141 12.697 8.107 1.00 0.00 C ATOM 40 O ARG A 4 -6.273 11.488 8.292 1.00 0.00 O ATOM 41 CB ARG A 4 -7.717 13.852 9.699 1.00 0.00 C ATOM 42 CG ARG A 4 -7.915 14.684 10.955 1.00 0.00 C ATOM 43 CD ARG A 4 -9.333 14.999 11.264 1.00 0.00 C ATOM 44 NE ARG A 4 -9.521 15.857 12.423 1.00 0.00 N ATOM 45 CZ ARG A 4 -10.680 16.463 12.746 1.00 0.00 C ATOM 46 NH1 ARG A 4 -11.744 16.341 11.984 1.00 0.00 N ATOM 47 NH2 ARG A 4 -10.713 17.205 13.839 1.00 0.00 N ATOM 0 H ARG A 4 -6.231 15.591 8.387 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.733 13.272 10.118 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.275 14.313 8.884 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.149 12.865 9.863 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.481 14.152 11.801 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.363 15.618 10.849 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.783 15.479 10.395 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.872 14.066 11.427 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.719 16.011 13.034 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.700 15.781 11.133 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.613 16.807 12.244 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -9.875 17.306 14.412 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -11.576 17.676 14.110 1.00 0.00 H new ATOM 61 N LYS A 5 -5.885 13.222 6.914 1.00 0.00 N ATOM 62 CA LYS A 5 -5.640 12.384 5.745 1.00 0.00 C ATOM 63 C LYS A 5 -4.144 12.212 5.503 1.00 0.00 C ATOM 64 O LYS A 5 -3.337 13.038 5.933 1.00 0.00 O ATOM 65 CB LYS A 5 -6.312 12.979 4.507 1.00 0.00 C ATOM 66 CG LYS A 5 -7.823 13.126 4.621 1.00 0.00 C ATOM 67 CD LYS A 5 -8.503 11.773 4.758 1.00 0.00 C ATOM 68 CE LYS A 5 -10.017 11.904 4.689 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.701 10.611 4.968 1.00 0.00 N ATOM 0 H LYS A 5 -5.842 14.224 6.730 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.071 11.402 5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.878 13.959 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.084 12.349 3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.066 13.746 5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.208 13.641 3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.157 11.108 3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.219 11.315 5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.349 12.653 5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.306 12.261 3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.731 10.758 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.457 9.922 4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.394 10.248 5.893 1.00 0.00 H new ATOM 83 N ILE A 6 -3.782 11.138 4.810 1.00 0.00 N ATOM 84 CA ILE A 6 -2.404 10.937 4.379 1.00 0.00 C ATOM 85 C ILE A 6 -2.335 10.596 2.894 1.00 0.00 C ATOM 86 O ILE A 6 -3.175 9.861 2.376 1.00 0.00 O ATOM 87 CB ILE A 6 -1.718 9.818 5.185 1.00 0.00 C ATOM 88 CG1 ILE A 6 -1.674 10.182 6.671 1.00 0.00 C ATOM 89 CG2 ILE A 6 -0.315 9.564 4.655 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.159 9.069 7.557 1.00 0.00 C ATOM 0 H ILE A 6 -4.423 10.394 4.535 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.879 11.875 4.558 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.299 8.903 5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.042 11.060 6.802 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.676 10.459 6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.155 8.771 5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.370 9.264 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.277 10.475 4.740 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.157 9.402 8.595 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.804 8.196 7.457 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.144 8.806 7.258 1.00 0.00 H new ATOM 102 N HIS A 7 -1.330 11.138 2.214 1.00 0.00 N ATOM 103 CA HIS A 7 -1.099 10.821 0.809 1.00 0.00 C ATOM 104 C HIS A 7 -0.074 9.701 0.666 1.00 0.00 C ATOM 105 O HIS A 7 0.951 9.692 1.350 1.00 0.00 O ATOM 106 CB HIS A 7 -0.631 12.063 0.042 1.00 0.00 C ATOM 107 CG HIS A 7 -1.685 13.118 -0.091 1.00 0.00 C ATOM 108 ND1 HIS A 7 -2.735 13.014 -0.979 1.00 0.00 N ATOM 109 CD2 HIS A 7 -1.849 14.300 0.549 1.00 0.00 C ATOM 110 CE1 HIS A 7 -3.501 14.086 -0.878 1.00 0.00 C ATOM 111 NE2 HIS A 7 -2.985 14.881 0.042 1.00 0.00 N ATOM 0 H HIS A 7 -0.663 11.798 2.613 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.044 10.483 0.383 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.235 12.488 0.550 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.302 11.763 -0.953 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.207 14.709 1.315 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.396 14.279 -1.450 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -3.369 15.781 0.329 1.00 0.00 H new ATOM 118 N VAL A 8 -0.355 8.757 -0.227 1.00 0.00 N ATOM 119 CA VAL A 8 0.504 7.592 -0.404 1.00 0.00 C ATOM 120 C VAL A 8 0.982 7.476 -1.847 1.00 0.00 C ATOM 121 O VAL A 8 0.191 7.571 -2.786 1.00 0.00 O ATOM 122 CB VAL A 8 -0.220 6.291 -0.007 1.00 0.00 C ATOM 123 CG1 VAL A 8 0.643 5.082 -0.335 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.570 6.307 1.474 1.00 0.00 C ATOM 0 H VAL A 8 -1.171 8.776 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 8 1.364 7.732 0.251 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.145 6.222 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.117 4.171 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.848 5.061 -1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.583 5.146 0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.081 5.381 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.343 6.398 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.223 7.154 1.684 1.00 0.00 H new ATOM 134 N THR A 9 2.285 7.270 -2.018 1.00 0.00 N ATOM 135 CA THR A 9 2.848 6.989 -3.332 1.00 0.00 C ATOM 136 C THR A 9 2.980 5.487 -3.562 1.00 0.00 C ATOM 137 O THR A 9 3.679 4.794 -2.823 1.00 0.00 O ATOM 138 CB THR A 9 4.230 7.647 -3.503 1.00 0.00 C ATOM 139 OG1 THR A 9 4.112 9.069 -3.394 1.00 0.00 O ATOM 140 CG2 THR A 9 4.837 7.285 -4.851 1.00 0.00 C ATOM 0 H THR A 9 2.969 7.293 -1.262 1.00 0.00 H new ATOM 0 HA THR A 9 2.161 7.408 -4.068 1.00 0.00 H new ATOM 0 HB THR A 9 4.885 7.276 -2.715 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.995 9.480 -3.502 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.813 7.761 -4.950 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.952 6.203 -4.920 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.182 7.632 -5.650 1.00 0.00 H new ATOM 148 N VAL A 10 2.305 4.990 -4.595 1.00 0.00 N ATOM 149 CA VAL A 10 2.321 3.565 -4.904 1.00 0.00 C ATOM 150 C VAL A 10 3.257 3.266 -6.069 1.00 0.00 C ATOM 151 O VAL A 10 3.018 3.695 -7.199 1.00 0.00 O ATOM 152 CB VAL A 10 0.911 3.050 -5.247 1.00 0.00 C ATOM 153 CG1 VAL A 10 0.951 1.566 -5.581 1.00 0.00 C ATOM 154 CG2 VAL A 10 -0.048 3.321 -4.098 1.00 0.00 C ATOM 0 H VAL A 10 1.741 5.553 -5.231 1.00 0.00 H new ATOM 0 HA VAL A 10 2.680 3.051 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 10 0.550 3.586 -6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.054 1.220 -5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.605 1.403 -6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.331 1.010 -4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.040 2.951 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.306 2.813 -3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.098 4.394 -3.911 1.00 0.00 H new ATOM 164 N LYS A 11 4.326 2.527 -5.788 1.00 0.00 N ATOM 165 CA LYS A 11 5.415 2.364 -6.743 1.00 0.00 C ATOM 166 C LYS A 11 5.440 0.946 -7.303 1.00 0.00 C ATOM 167 O LYS A 11 5.662 -0.018 -6.571 1.00 0.00 O ATOM 168 CB LYS A 11 6.757 2.696 -6.087 1.00 0.00 C ATOM 169 CG LYS A 11 6.879 4.134 -5.598 1.00 0.00 C ATOM 170 CD LYS A 11 8.105 4.316 -4.716 1.00 0.00 C ATOM 171 CE LYS A 11 9.388 4.286 -5.535 1.00 0.00 C ATOM 172 NZ LYS A 11 10.593 4.505 -4.689 1.00 0.00 N ATOM 0 H LYS A 11 4.461 2.032 -4.906 1.00 0.00 H new ATOM 0 HA LYS A 11 5.247 3.056 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.911 2.024 -5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.556 2.499 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.940 4.807 -6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.983 4.408 -5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.034 5.264 -4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.134 3.528 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.471 3.326 -6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.343 5.053 -6.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.421 4.663 -5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.445 5.337 -4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.756 3.668 -4.094 1.00 0.00 H new ATOM 186 N PHE A 12 5.212 0.827 -8.607 1.00 0.00 N ATOM 187 CA PHE A 12 5.462 -0.423 -9.316 1.00 0.00 C ATOM 188 C PHE A 12 6.726 -0.322 -10.166 1.00 0.00 C ATOM 189 O PHE A 12 7.193 0.766 -10.503 1.00 0.00 O ATOM 190 CB PHE A 12 4.264 -0.792 -10.192 1.00 0.00 C ATOM 191 CG PHE A 12 3.078 -1.294 -9.417 1.00 0.00 C ATOM 192 CD1 PHE A 12 2.119 -0.413 -8.943 1.00 0.00 C ATOM 193 CD2 PHE A 12 2.922 -2.647 -9.160 1.00 0.00 C ATOM 194 CE1 PHE A 12 1.028 -0.872 -8.230 1.00 0.00 C ATOM 195 CE2 PHE A 12 1.832 -3.110 -8.448 1.00 0.00 C ATOM 196 CZ PHE A 12 0.884 -2.221 -7.982 1.00 0.00 C ATOM 0 H PHE A 12 4.855 1.581 -9.194 1.00 0.00 H new ATOM 0 HA PHE A 12 5.608 -1.209 -8.575 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.965 0.083 -10.770 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.570 -1.557 -10.906 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.226 0.645 -9.133 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.661 -3.347 -9.520 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.288 -0.174 -7.867 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.722 -4.167 -8.256 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.032 -2.581 -7.425 1.00 0.00 H new ATOM 206 N PRO A 13 7.293 -1.483 -10.523 1.00 0.00 N ATOM 207 CA PRO A 13 8.487 -1.555 -11.370 1.00 0.00 C ATOM 208 C PRO A 13 8.243 -0.987 -12.764 1.00 0.00 C ATOM 209 O PRO A 13 9.175 -0.545 -13.436 1.00 0.00 O ATOM 210 CB PRO A 13 8.819 -3.050 -11.414 1.00 0.00 C ATOM 211 CG PRO A 13 7.531 -3.726 -11.086 1.00 0.00 C ATOM 212 CD PRO A 13 6.851 -2.827 -10.089 1.00 0.00 C ATOM 0 HA PRO A 13 9.307 -0.955 -10.975 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.185 -3.347 -12.397 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.597 -3.306 -10.694 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.918 -3.858 -11.978 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.703 -4.718 -10.668 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.766 -2.929 -10.123 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.160 -3.046 -9.067 1.00 0.00 H new ATOM 220 N SER A 14 6.985 -1.004 -13.192 1.00 0.00 N ATOM 221 CA SER A 14 6.642 -0.658 -14.567 1.00 0.00 C ATOM 222 C SER A 14 5.752 0.581 -14.610 1.00 0.00 C ATOM 223 O SER A 14 5.536 1.168 -15.671 1.00 0.00 O ATOM 224 CB SER A 14 5.955 -1.828 -15.244 1.00 0.00 C ATOM 225 OG SER A 14 4.748 -2.165 -14.618 1.00 0.00 O ATOM 0 H SER A 14 6.187 -1.253 -12.608 1.00 0.00 H new ATOM 0 HA SER A 14 7.563 -0.432 -15.105 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.764 -1.581 -16.288 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.620 -2.692 -15.237 1.00 0.00 H new ATOM 0 HG SER A 14 4.337 -2.922 -15.086 1.00 0.00 H new ATOM 231 N LYS A 15 5.237 0.973 -13.450 1.00 0.00 N ATOM 232 CA LYS A 15 4.285 2.074 -13.367 1.00 0.00 C ATOM 233 C LYS A 15 4.280 2.687 -11.971 1.00 0.00 C ATOM 234 O LYS A 15 4.806 2.099 -11.025 1.00 0.00 O ATOM 235 CB LYS A 15 2.880 1.598 -13.741 1.00 0.00 C ATOM 236 CG LYS A 15 2.292 0.565 -12.789 1.00 0.00 C ATOM 237 CD LYS A 15 1.007 -0.031 -13.344 1.00 0.00 C ATOM 238 CE LYS A 15 -0.131 0.979 -13.312 1.00 0.00 C ATOM 239 NZ LYS A 15 -1.402 0.402 -13.827 1.00 0.00 N ATOM 0 H LYS A 15 5.463 0.544 -12.553 1.00 0.00 H new ATOM 0 HA LYS A 15 4.595 2.841 -14.076 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.215 2.461 -13.777 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.908 1.175 -14.745 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.019 -0.229 -12.617 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.092 1.029 -11.823 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.171 -0.364 -14.369 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.731 -0.911 -12.763 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.279 1.327 -12.290 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.140 1.850 -13.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.151 1.122 -13.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.269 0.093 -14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.675 -0.413 -13.242 1.00 0.00 H new ATOM 253 N GLN A 16 3.684 3.866 -11.849 1.00 0.00 N ATOM 254 CA GLN A 16 3.612 4.557 -10.567 1.00 0.00 C ATOM 255 C GLN A 16 2.375 5.446 -10.495 1.00 0.00 C ATOM 256 O GLN A 16 1.994 6.078 -11.480 1.00 0.00 O ATOM 257 CB GLN A 16 4.870 5.399 -10.339 1.00 0.00 C ATOM 258 CG GLN A 16 4.882 6.156 -9.021 1.00 0.00 C ATOM 259 CD GLN A 16 6.168 6.934 -8.812 1.00 0.00 C ATOM 260 OE1 GLN A 16 7.168 6.700 -9.494 1.00 0.00 O ATOM 261 NE2 GLN A 16 6.148 7.863 -7.863 1.00 0.00 N ATOM 0 H GLN A 16 3.243 4.364 -12.622 1.00 0.00 H new ATOM 0 HA GLN A 16 3.543 3.802 -9.784 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.742 4.747 -10.379 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.969 6.113 -11.156 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.036 6.843 -8.992 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.749 5.452 -8.200 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.297 8.022 -7.323 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.983 8.417 -7.674 1.00 0.00 H new ATOM 270 N PHE A 17 1.749 5.488 -9.322 1.00 0.00 N ATOM 271 CA PHE A 17 0.594 6.351 -9.103 1.00 0.00 C ATOM 272 C PHE A 17 0.411 6.647 -7.618 1.00 0.00 C ATOM 273 O PHE A 17 0.975 5.963 -6.762 1.00 0.00 O ATOM 274 CB PHE A 17 -0.670 5.709 -9.675 1.00 0.00 C ATOM 275 CG PHE A 17 -1.030 4.400 -9.032 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.833 4.363 -7.902 1.00 0.00 C ATOM 277 CD2 PHE A 17 -0.564 3.203 -9.554 1.00 0.00 C ATOM 278 CE1 PHE A 17 -2.163 3.160 -7.309 1.00 0.00 C ATOM 279 CE2 PHE A 17 -0.894 1.998 -8.965 1.00 0.00 C ATOM 280 CZ PHE A 17 -1.695 1.977 -7.840 1.00 0.00 C ATOM 0 H PHE A 17 2.022 4.935 -8.510 1.00 0.00 H new ATOM 0 HA PHE A 17 0.772 7.293 -9.621 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.503 6.402 -9.558 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.534 5.552 -10.745 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.205 5.285 -7.481 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.065 3.213 -10.432 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.788 3.146 -6.429 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.526 1.073 -9.384 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.954 1.036 -7.377 1.00 0.00 H new ATOM 290 N THR A 18 -0.381 7.672 -7.317 1.00 0.00 N ATOM 291 CA THR A 18 -0.607 8.084 -5.937 1.00 0.00 C ATOM 292 C THR A 18 -2.059 7.864 -5.530 1.00 0.00 C ATOM 293 O THR A 18 -2.964 7.917 -6.364 1.00 0.00 O ATOM 294 CB THR A 18 -0.243 9.565 -5.722 1.00 0.00 C ATOM 295 OG1 THR A 18 -1.054 10.387 -6.571 1.00 0.00 O ATOM 296 CG2 THR A 18 1.225 9.805 -6.042 1.00 0.00 C ATOM 0 H THR A 18 -0.877 8.232 -8.011 1.00 0.00 H new ATOM 0 HA THR A 18 0.041 7.467 -5.314 1.00 0.00 H new ATOM 0 HB THR A 18 -0.423 9.820 -4.678 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.823 11.329 -6.432 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.464 10.857 -5.885 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.845 9.190 -5.390 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.419 9.540 -7.082 1.00 0.00 H new ATOM 304 N VAL A 19 -2.277 7.616 -4.242 1.00 0.00 N ATOM 305 CA VAL A 19 -3.626 7.476 -3.708 1.00 0.00 C ATOM 306 C VAL A 19 -3.805 8.306 -2.442 1.00 0.00 C ATOM 307 O VAL A 19 -2.830 8.683 -1.792 1.00 0.00 O ATOM 308 CB VAL A 19 -3.962 6.004 -3.398 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.917 5.168 -4.667 1.00 0.00 C ATOM 310 CG2 VAL A 19 -3.000 5.446 -2.360 1.00 0.00 C ATOM 0 H VAL A 19 -1.536 7.508 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.308 7.839 -4.477 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.973 5.960 -2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.157 4.132 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.643 5.553 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.918 5.219 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.252 4.406 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.980 5.504 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.078 6.028 -1.442 1.00 0.00 H new ATOM 320 N GLU A 20 -5.058 8.588 -2.097 1.00 0.00 N ATOM 321 CA GLU A 20 -5.365 9.351 -0.893 1.00 0.00 C ATOM 322 C GLU A 20 -6.078 8.479 0.137 1.00 0.00 C ATOM 323 O GLU A 20 -7.090 7.846 -0.163 1.00 0.00 O ATOM 324 CB GLU A 20 -6.220 10.572 -1.235 1.00 0.00 C ATOM 325 CG GLU A 20 -6.578 11.443 -0.039 1.00 0.00 C ATOM 326 CD GLU A 20 -7.420 12.618 -0.452 1.00 0.00 C ATOM 327 OE1 GLU A 20 -7.724 12.727 -1.616 1.00 0.00 O ATOM 328 OE2 GLU A 20 -7.853 13.346 0.410 1.00 0.00 O ATOM 0 H GLU A 20 -5.876 8.300 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.424 9.693 -0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.687 11.180 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.140 10.234 -1.712 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.117 10.848 0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.666 11.797 0.442 1.00 0.00 H new ATOM 335 N VAL A 21 -5.541 8.450 1.352 1.00 0.00 N ATOM 336 CA VAL A 21 -6.075 7.592 2.404 1.00 0.00 C ATOM 337 C VAL A 21 -6.270 8.369 3.700 1.00 0.00 C ATOM 338 O VAL A 21 -5.774 9.486 3.848 1.00 0.00 O ATOM 339 CB VAL A 21 -5.154 6.387 2.672 1.00 0.00 C ATOM 340 CG1 VAL A 21 -5.058 5.505 1.436 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.773 6.857 3.099 1.00 0.00 C ATOM 0 H VAL A 21 -4.736 9.011 1.633 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.041 7.227 2.054 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.583 5.799 3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.403 4.658 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.050 5.140 1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.651 6.084 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.136 5.992 3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.336 7.467 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.856 7.449 4.011 1.00 0.00 H new ATOM 351 N ASP A 22 -6.996 7.771 4.639 1.00 0.00 N ATOM 352 CA ASP A 22 -7.127 8.334 5.978 1.00 0.00 C ATOM 353 C ASP A 22 -6.094 7.730 6.925 1.00 0.00 C ATOM 354 O ASP A 22 -5.715 6.566 6.785 1.00 0.00 O ATOM 355 CB ASP A 22 -8.539 8.103 6.522 1.00 0.00 C ATOM 356 CG ASP A 22 -8.896 8.962 7.728 1.00 0.00 C ATOM 357 OD1 ASP A 22 -8.255 8.822 8.743 1.00 0.00 O ATOM 358 OD2 ASP A 22 -9.697 9.855 7.580 1.00 0.00 O ATOM 0 H ASP A 22 -7.502 6.897 4.497 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.948 9.407 5.911 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.258 8.298 5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.643 7.053 6.795 1.00 0.00 H new ATOM 363 N ARG A 23 -5.643 8.527 7.888 1.00 0.00 N ATOM 364 CA ARG A 23 -4.593 8.100 8.805 1.00 0.00 C ATOM 365 C ARG A 23 -5.094 6.991 9.725 1.00 0.00 C ATOM 366 O ARG A 23 -4.313 6.174 10.213 1.00 0.00 O ATOM 367 CB ARG A 23 -4.012 9.264 9.594 1.00 0.00 C ATOM 368 CG ARG A 23 -4.903 9.790 10.708 1.00 0.00 C ATOM 369 CD ARG A 23 -4.417 11.044 11.340 1.00 0.00 C ATOM 370 NE ARG A 23 -5.259 11.540 12.417 1.00 0.00 N ATOM 371 CZ ARG A 23 -5.140 12.758 12.981 1.00 0.00 C ATOM 372 NH1 ARG A 23 -4.194 13.590 12.603 1.00 0.00 N ATOM 373 NH2 ARG A 23 -5.984 13.086 13.944 1.00 0.00 N ATOM 0 H ARG A 23 -5.988 9.472 8.054 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.779 7.696 8.203 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.061 8.953 10.026 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.797 10.080 8.904 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.902 9.962 10.307 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.996 9.022 11.476 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.413 10.875 11.729 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.336 11.815 10.574 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.991 10.923 12.770 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.537 13.317 11.873 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.118 14.508 13.040 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.701 12.424 14.241 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.918 14.001 14.390 1.00 0.00 H new ATOM 387 N THR A 24 -6.403 6.969 9.958 1.00 0.00 N ATOM 388 CA THR A 24 -6.989 6.056 10.933 1.00 0.00 C ATOM 389 C THR A 24 -7.410 4.746 10.276 1.00 0.00 C ATOM 390 O THR A 24 -7.805 3.800 10.955 1.00 0.00 O ATOM 391 CB THR A 24 -8.211 6.684 11.631 1.00 0.00 C ATOM 392 OG1 THR A 24 -9.234 6.949 10.663 1.00 0.00 O ATOM 393 CG2 THR A 24 -7.821 7.982 12.321 1.00 0.00 C ATOM 0 H THR A 24 -7.077 7.572 9.486 1.00 0.00 H new ATOM 0 HA THR A 24 -6.219 5.855 11.678 1.00 0.00 H new ATOM 0 HB THR A 24 -8.583 5.984 12.379 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.931 7.651 10.050 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.696 8.412 12.809 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.052 7.781 13.067 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.435 8.685 11.583 1.00 0.00 H new ATOM 401 N GLU A 25 -7.322 4.701 8.949 1.00 0.00 N ATOM 402 CA GLU A 25 -7.644 3.489 8.205 1.00 0.00 C ATOM 403 C GLU A 25 -6.480 2.502 8.243 1.00 0.00 C ATOM 404 O GLU A 25 -5.325 2.892 8.412 1.00 0.00 O ATOM 405 CB GLU A 25 -8.004 3.827 6.757 1.00 0.00 C ATOM 406 CG GLU A 25 -9.353 4.512 6.588 1.00 0.00 C ATOM 407 CD GLU A 25 -10.482 3.601 6.983 1.00 0.00 C ATOM 408 OE1 GLU A 25 -10.612 2.556 6.390 1.00 0.00 O ATOM 409 OE2 GLU A 25 -11.144 3.894 7.950 1.00 0.00 O ATOM 0 H GLU A 25 -7.031 5.488 8.369 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.507 3.021 8.679 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.228 4.472 6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.001 2.908 6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.383 5.416 7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.479 4.821 5.550 1.00 0.00 H new ATOM 416 N THR A 26 -6.795 1.220 8.085 1.00 0.00 N ATOM 417 CA THR A 26 -5.781 0.172 8.133 1.00 0.00 C ATOM 418 C THR A 26 -5.092 0.013 6.781 1.00 0.00 C ATOM 419 O THR A 26 -5.579 0.504 5.763 1.00 0.00 O ATOM 420 CB THR A 26 -6.386 -1.180 8.553 1.00 0.00 C ATOM 421 OG1 THR A 26 -7.374 -1.584 7.596 1.00 0.00 O ATOM 422 CG2 THR A 26 -7.030 -1.073 9.927 1.00 0.00 C ATOM 0 H THR A 26 -7.744 0.882 7.923 1.00 0.00 H new ATOM 0 HA THR A 26 -5.047 0.477 8.879 1.00 0.00 H new ATOM 0 HB THR A 26 -5.587 -1.920 8.594 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.756 -2.445 7.864 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.452 -2.038 10.207 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.278 -0.780 10.659 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.822 -0.325 9.900 1.00 0.00 H new ATOM 430 N VAL A 27 -3.959 -0.680 6.779 1.00 0.00 N ATOM 431 CA VAL A 27 -3.220 -0.933 5.548 1.00 0.00 C ATOM 432 C VAL A 27 -4.052 -1.746 4.564 1.00 0.00 C ATOM 433 O VAL A 27 -3.820 -1.706 3.356 1.00 0.00 O ATOM 434 CB VAL A 27 -1.899 -1.675 5.824 1.00 0.00 C ATOM 435 CG1 VAL A 27 -2.174 -3.090 6.311 1.00 0.00 C ATOM 436 CG2 VAL A 27 -1.031 -1.702 4.575 1.00 0.00 C ATOM 0 H VAL A 27 -3.532 -1.077 7.616 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.994 0.040 5.111 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.361 -1.139 6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.229 -3.599 6.501 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.757 -3.051 7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.733 -3.634 5.550 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.102 -2.230 4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.563 -2.214 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.805 -0.681 4.267 1.00 0.00 H new ATOM 446 N SER A 28 -5.025 -2.485 5.089 1.00 0.00 N ATOM 447 CA SER A 28 -5.948 -3.241 4.252 1.00 0.00 C ATOM 448 C SER A 28 -6.736 -2.310 3.334 1.00 0.00 C ATOM 449 O SER A 28 -6.991 -2.634 2.174 1.00 0.00 O ATOM 450 CB SER A 28 -6.891 -4.057 5.115 1.00 0.00 C ATOM 451 OG SER A 28 -7.799 -4.798 4.348 1.00 0.00 O ATOM 0 H SER A 28 -5.194 -2.576 6.091 1.00 0.00 H new ATOM 0 HA SER A 28 -5.367 -3.921 3.628 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.312 -4.733 5.744 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.439 -3.391 5.782 1.00 0.00 H new ATOM 0 HG SER A 28 -8.387 -5.310 4.942 1.00 0.00 H new ATOM 457 N SER A 29 -7.117 -1.151 3.862 1.00 0.00 N ATOM 458 CA SER A 29 -7.819 -0.146 3.072 1.00 0.00 C ATOM 459 C SER A 29 -6.924 0.393 1.961 1.00 0.00 C ATOM 460 O SER A 29 -7.383 0.648 0.846 1.00 0.00 O ATOM 461 CB SER A 29 -8.295 0.983 3.967 1.00 0.00 C ATOM 462 OG SER A 29 -9.261 0.554 4.886 1.00 0.00 O ATOM 0 H SER A 29 -6.952 -0.885 4.833 1.00 0.00 H new ATOM 0 HA SER A 29 -8.687 -0.616 2.609 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.445 1.402 4.505 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.709 1.782 3.353 1.00 0.00 H new ATOM 0 HG SER A 29 -9.650 1.331 5.338 1.00 0.00 H new ATOM 468 N LEU A 30 -5.644 0.565 2.271 1.00 0.00 N ATOM 469 CA LEU A 30 -4.663 0.978 1.272 1.00 0.00 C ATOM 470 C LEU A 30 -4.543 -0.061 0.163 1.00 0.00 C ATOM 471 O LEU A 30 -4.490 0.279 -1.019 1.00 0.00 O ATOM 472 CB LEU A 30 -3.299 1.216 1.934 1.00 0.00 C ATOM 473 CG LEU A 30 -2.162 1.579 0.971 1.00 0.00 C ATOM 474 CD1 LEU A 30 -2.491 2.873 0.239 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.861 1.716 1.749 1.00 0.00 C ATOM 0 H LEU A 30 -5.261 0.425 3.206 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.004 1.912 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.403 2.016 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.017 0.317 2.482 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.046 0.788 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.678 3.122 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.413 2.746 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.618 3.678 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.053 1.974 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.966 2.501 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.631 0.772 2.242 1.00 0.00 H new ATOM 487 N LYS A 31 -4.506 -1.332 0.552 1.00 0.00 N ATOM 488 CA LYS A 31 -4.430 -2.425 -0.410 1.00 0.00 C ATOM 489 C LYS A 31 -5.655 -2.432 -1.319 1.00 0.00 C ATOM 490 O LYS A 31 -5.547 -2.679 -2.521 1.00 0.00 O ATOM 491 CB LYS A 31 -4.299 -3.767 0.310 1.00 0.00 C ATOM 492 CG LYS A 31 -2.948 -3.995 0.974 1.00 0.00 C ATOM 493 CD LYS A 31 -2.884 -5.359 1.646 1.00 0.00 C ATOM 494 CE LYS A 31 -1.529 -5.594 2.296 1.00 0.00 C ATOM 495 NZ LYS A 31 -1.430 -6.949 2.903 1.00 0.00 N ATOM 0 H LYS A 31 -4.527 -1.630 1.527 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.544 -2.272 -1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.079 -3.837 1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.478 -4.569 -0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.157 -3.917 0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.768 -3.214 1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.668 -5.432 2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.076 -6.139 0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.743 -5.472 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.359 -4.839 3.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.449 -7.126 3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.057 -7.005 3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.715 -7.664 2.204 1.00 0.00 H new ATOM 509 N ASP A 32 -6.819 -2.160 -0.739 1.00 0.00 N ATOM 510 CA ASP A 32 -8.066 -2.147 -1.495 1.00 0.00 C ATOM 511 C ASP A 32 -8.041 -1.060 -2.566 1.00 0.00 C ATOM 512 O ASP A 32 -8.412 -1.296 -3.716 1.00 0.00 O ATOM 513 CB ASP A 32 -9.260 -1.941 -0.560 1.00 0.00 C ATOM 514 CG ASP A 32 -9.600 -3.149 0.301 1.00 0.00 C ATOM 515 OD1 ASP A 32 -9.093 -4.211 0.028 1.00 0.00 O ATOM 516 OD2 ASP A 32 -10.235 -2.972 1.313 1.00 0.00 O ATOM 0 H ASP A 32 -6.925 -1.945 0.253 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.171 -3.113 -1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.053 -1.092 0.092 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.133 -1.679 -1.158 1.00 0.00 H new ATOM 521 N LYS A 33 -7.600 0.133 -2.181 1.00 0.00 N ATOM 522 CA LYS A 33 -7.571 1.270 -3.093 1.00 0.00 C ATOM 523 C LYS A 33 -6.525 1.065 -4.183 1.00 0.00 C ATOM 524 O LYS A 33 -6.714 1.487 -5.324 1.00 0.00 O ATOM 525 CB LYS A 33 -7.291 2.565 -2.328 1.00 0.00 C ATOM 526 CG LYS A 33 -8.458 3.065 -1.487 1.00 0.00 C ATOM 527 CD LYS A 33 -8.074 4.299 -0.685 1.00 0.00 C ATOM 528 CE LYS A 33 -9.271 4.870 0.061 1.00 0.00 C ATOM 529 NZ LYS A 33 -8.871 5.925 1.031 1.00 0.00 N ATOM 0 H LYS A 33 -7.257 0.337 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.550 1.348 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.431 2.409 -1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.014 3.341 -3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.302 3.299 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.785 2.276 -0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.288 4.043 0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.665 5.056 -1.353 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.980 5.286 -0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.785 4.067 0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.721 6.335 1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.269 5.508 1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.343 6.671 0.534 1.00 0.00 H new ATOM 543 N ILE A 34 -5.423 0.414 -3.825 1.00 0.00 N ATOM 544 CA ILE A 34 -4.446 -0.033 -4.811 1.00 0.00 C ATOM 545 C ILE A 34 -5.050 -1.076 -5.746 1.00 0.00 C ATOM 546 O ILE A 34 -4.795 -1.067 -6.952 1.00 0.00 O ATOM 547 CB ILE A 34 -3.194 -0.623 -4.136 1.00 0.00 C ATOM 548 CG1 ILE A 34 -2.427 0.471 -3.388 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.300 -1.292 -5.169 1.00 0.00 C ATOM 550 CD1 ILE A 34 -1.352 -0.059 -2.467 1.00 0.00 C ATOM 0 H ILE A 34 -5.184 0.184 -2.860 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.154 0.844 -5.389 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.510 -1.377 -3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.971 1.144 -4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.133 1.063 -2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.419 -1.704 -4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.850 -2.095 -5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.989 -0.557 -5.912 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.853 0.775 -1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.803 -0.708 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.623 -0.626 -3.047 1.00 0.00 H new ATOM 562 N HIS A 35 -5.851 -1.974 -5.184 1.00 0.00 N ATOM 563 CA HIS A 35 -6.503 -3.017 -5.971 1.00 0.00 C ATOM 564 C HIS A 35 -7.480 -2.409 -6.972 1.00 0.00 C ATOM 565 O HIS A 35 -7.628 -2.907 -8.089 1.00 0.00 O ATOM 566 CB HIS A 35 -7.232 -4.010 -5.060 1.00 0.00 C ATOM 567 CG HIS A 35 -7.951 -5.091 -5.804 1.00 0.00 C ATOM 568 ND1 HIS A 35 -8.627 -6.110 -5.165 1.00 0.00 N ATOM 569 CD2 HIS A 35 -8.101 -5.314 -7.131 1.00 0.00 C ATOM 570 CE1 HIS A 35 -9.162 -6.914 -6.069 1.00 0.00 C ATOM 571 NE2 HIS A 35 -8.856 -6.452 -7.269 1.00 0.00 N ATOM 0 H HIS A 35 -6.065 -2.002 -4.187 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.730 -3.553 -6.522 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.510 -4.466 -4.382 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.948 -3.466 -4.444 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.701 -4.709 -7.932 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -9.749 -7.797 -5.862 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.136 -6.873 -8.155 1.00 0.00 H new ATOM 578 N ILE A 36 -8.145 -1.333 -6.565 1.00 0.00 N ATOM 579 CA ILE A 36 -9.091 -0.646 -7.436 1.00 0.00 C ATOM 580 C ILE A 36 -8.402 -0.120 -8.691 1.00 0.00 C ATOM 581 O ILE A 36 -8.959 -0.176 -9.787 1.00 0.00 O ATOM 582 CB ILE A 36 -9.779 0.525 -6.710 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.731 0.000 -5.632 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.527 1.401 -7.703 1.00 0.00 C ATOM 585 CD1 ILE A 36 -11.252 1.072 -4.701 1.00 0.00 C ATOM 0 H ILE A 36 -8.046 -0.918 -5.638 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.846 -1.379 -7.720 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.013 1.131 -6.227 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.576 -0.490 -6.115 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.215 -0.759 -5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.007 2.224 -7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.826 1.801 -8.435 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.285 0.807 -8.214 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.919 0.622 -3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.415 1.547 -4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.797 1.820 -5.276 1.00 0.00 H new ATOM 597 N VAL A 37 -7.185 0.388 -8.522 1.00 0.00 N ATOM 598 CA VAL A 37 -6.398 0.875 -9.648 1.00 0.00 C ATOM 599 C VAL A 37 -5.848 -0.282 -10.475 1.00 0.00 C ATOM 600 O VAL A 37 -5.810 -0.216 -11.704 1.00 0.00 O ATOM 601 CB VAL A 37 -5.229 1.761 -9.178 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.338 2.134 -10.354 1.00 0.00 C ATOM 603 CG2 VAL A 37 -5.751 3.011 -8.489 1.00 0.00 C ATOM 0 H VAL A 37 -6.723 0.473 -7.616 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.068 1.473 -10.266 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.635 1.195 -8.460 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.517 2.760 -10.004 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.936 1.228 -10.807 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.922 2.681 -11.094 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.911 3.625 -8.164 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.368 3.579 -9.185 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.349 2.726 -7.623 1.00 0.00 H new ATOM 613 N GLU A 38 -5.421 -1.340 -9.793 1.00 0.00 N ATOM 614 CA GLU A 38 -4.816 -2.486 -10.461 1.00 0.00 C ATOM 615 C GLU A 38 -5.875 -3.517 -10.838 1.00 0.00 C ATOM 616 O GLU A 38 -7.064 -3.324 -10.583 1.00 0.00 O ATOM 617 CB GLU A 38 -3.749 -3.127 -9.571 1.00 0.00 C ATOM 618 CG GLU A 38 -2.511 -2.267 -9.358 1.00 0.00 C ATOM 619 CD GLU A 38 -1.725 -2.117 -10.630 1.00 0.00 C ATOM 620 OE1 GLU A 38 -1.933 -2.893 -11.531 1.00 0.00 O ATOM 621 OE2 GLU A 38 -0.995 -1.160 -10.744 1.00 0.00 O ATOM 0 H GLU A 38 -5.483 -1.427 -8.779 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.341 -2.130 -11.375 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.191 -3.354 -8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.446 -4.076 -10.013 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.807 -1.284 -8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.881 -2.716 -8.590 1.00 0.00 H new ATOM 628 N ASN A 39 -5.436 -4.613 -11.446 1.00 0.00 N ATOM 629 CA ASN A 39 -6.334 -5.712 -11.787 1.00 0.00 C ATOM 630 C ASN A 39 -5.904 -7.001 -11.094 1.00 0.00 C ATOM 631 O ASN A 39 -5.964 -8.083 -11.679 1.00 0.00 O ATOM 632 CB ASN A 39 -6.414 -5.922 -13.287 1.00 0.00 C ATOM 633 CG ASN A 39 -7.035 -4.768 -14.027 1.00 0.00 C ATOM 634 OD1 ASN A 39 -8.235 -4.499 -13.903 1.00 0.00 O ATOM 635 ND2 ASN A 39 -6.243 -4.139 -14.856 1.00 0.00 N ATOM 0 H ASN A 39 -4.463 -4.765 -11.713 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.328 -5.440 -11.433 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.410 -6.093 -13.675 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.991 -6.824 -13.488 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.609 -3.386 -15.439 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.259 -4.401 -14.919 1.00 0.00 H new ATOM 642 N THR A 40 -5.470 -6.879 -9.844 1.00 0.00 N ATOM 643 CA THR A 40 -4.984 -8.025 -9.087 1.00 0.00 C ATOM 644 C THR A 40 -5.553 -8.033 -7.673 1.00 0.00 C ATOM 645 O THR A 40 -5.673 -6.997 -7.020 1.00 0.00 O ATOM 646 CB THR A 40 -3.446 -8.041 -9.011 1.00 0.00 C ATOM 647 OG1 THR A 40 -3.010 -9.227 -8.333 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.936 -6.818 -8.264 1.00 0.00 C ATOM 0 H THR A 40 -5.445 -5.996 -9.334 1.00 0.00 H new ATOM 0 HA THR A 40 -5.321 -8.916 -9.616 1.00 0.00 H new ATOM 0 HB THR A 40 -3.047 -8.027 -10.025 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.031 -9.236 -8.287 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.847 -6.846 -8.220 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.255 -5.915 -8.784 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.340 -6.815 -7.252 1.00 0.00 H new ATOM 656 N PRO A 41 -5.913 -9.231 -7.186 1.00 0.00 N ATOM 657 CA PRO A 41 -6.466 -9.404 -5.840 1.00 0.00 C ATOM 658 C PRO A 41 -5.448 -9.089 -4.750 1.00 0.00 C ATOM 659 O PRO A 41 -4.254 -9.349 -4.909 1.00 0.00 O ATOM 660 CB PRO A 41 -6.900 -10.873 -5.805 1.00 0.00 C ATOM 661 CG PRO A 41 -6.048 -11.535 -6.833 1.00 0.00 C ATOM 662 CD PRO A 41 -5.872 -10.515 -7.925 1.00 0.00 C ATOM 0 HA PRO A 41 -7.290 -8.718 -5.645 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.745 -11.310 -4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.959 -10.980 -6.038 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.086 -11.832 -6.414 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.523 -12.439 -7.213 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.928 -10.647 -8.454 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.666 -10.579 -8.669 1.00 0.00 H new ATOM 670 N ILE A 42 -5.925 -8.529 -3.644 1.00 0.00 N ATOM 671 CA ILE A 42 -5.049 -8.140 -2.545 1.00 0.00 C ATOM 672 C ILE A 42 -4.414 -9.363 -1.889 1.00 0.00 C ATOM 673 O ILE A 42 -3.363 -9.266 -1.258 1.00 0.00 O ATOM 674 CB ILE A 42 -5.807 -7.331 -1.477 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.915 -8.181 -0.850 1.00 0.00 C ATOM 676 CG2 ILE A 42 -6.385 -6.061 -2.082 1.00 0.00 C ATOM 677 CD1 ILE A 42 -7.607 -7.517 0.320 1.00 0.00 C ATOM 0 H ILE A 42 -6.913 -8.334 -3.485 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.267 -7.513 -2.973 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.104 -7.049 -0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.657 -8.415 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.490 -9.128 -0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.918 -5.501 -1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.577 -5.449 -2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.075 -6.322 -2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.379 -8.180 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.878 -7.308 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.063 -6.584 -0.009 1.00 0.00 H new ATOM 689 N LYS A 43 -5.061 -10.514 -2.047 1.00 0.00 N ATOM 690 CA LYS A 43 -4.566 -11.755 -1.462 1.00 0.00 C ATOM 691 C LYS A 43 -3.295 -12.219 -2.165 1.00 0.00 C ATOM 692 O LYS A 43 -2.474 -12.926 -1.580 1.00 0.00 O ATOM 693 CB LYS A 43 -5.636 -12.844 -1.529 1.00 0.00 C ATOM 694 CG LYS A 43 -6.838 -12.604 -0.626 1.00 0.00 C ATOM 695 CD LYS A 43 -7.866 -13.717 -0.764 1.00 0.00 C ATOM 696 CE LYS A 43 -9.062 -13.483 0.148 1.00 0.00 C ATOM 697 NZ LYS A 43 -10.087 -14.553 0.008 1.00 0.00 N ATOM 0 H LYS A 43 -5.928 -10.613 -2.575 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.328 -11.563 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.983 -12.932 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.182 -13.799 -1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.509 -12.537 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.298 -11.648 -0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.202 -13.778 -1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.403 -14.674 -0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.725 -13.437 1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.512 -12.518 -0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.884 -14.356 0.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.428 -14.581 -0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.666 -15.472 0.254 1.00 0.00 H new ATOM 711 N ARG A 44 -3.140 -11.818 -3.423 1.00 0.00 N ATOM 712 CA ARG A 44 -1.963 -12.186 -4.201 1.00 0.00 C ATOM 713 C ARG A 44 -0.977 -11.025 -4.277 1.00 0.00 C ATOM 714 O ARG A 44 0.237 -11.226 -4.255 1.00 0.00 O ATOM 715 CB ARG A 44 -2.328 -12.703 -5.586 1.00 0.00 C ATOM 716 CG ARG A 44 -3.213 -13.939 -5.594 1.00 0.00 C ATOM 717 CD ARG A 44 -2.550 -15.171 -5.095 1.00 0.00 C ATOM 718 NE ARG A 44 -3.398 -16.351 -5.086 1.00 0.00 N ATOM 719 CZ ARG A 44 -3.015 -17.566 -4.647 1.00 0.00 C ATOM 720 NH1 ARG A 44 -1.791 -17.774 -4.216 1.00 0.00 N ATOM 721 NH2 ARG A 44 -3.896 -18.549 -4.684 1.00 0.00 N ATOM 0 H ARG A 44 -3.814 -11.239 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.474 -13.010 -3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.834 -11.908 -6.133 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.409 -12.928 -6.128 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.095 -13.743 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.561 -14.115 -6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.675 -15.373 -5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.190 -14.990 -4.082 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.351 -16.253 -5.437 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.115 -17.010 -4.211 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.517 -18.700 -3.887 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.837 -18.377 -5.038 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.635 -19.480 -4.359 1.00 0.00 H new ATOM 735 N MET A 45 -1.507 -9.809 -4.364 1.00 0.00 N ATOM 736 CA MET A 45 -0.672 -8.614 -4.421 1.00 0.00 C ATOM 737 C MET A 45 0.121 -8.442 -3.129 1.00 0.00 C ATOM 738 O MET A 45 -0.419 -8.596 -2.035 1.00 0.00 O ATOM 739 CB MET A 45 -1.533 -7.380 -4.685 1.00 0.00 C ATOM 740 CG MET A 45 -0.745 -6.088 -4.857 1.00 0.00 C ATOM 741 SD MET A 45 -1.809 -4.655 -5.121 1.00 0.00 S ATOM 742 CE MET A 45 -2.544 -4.474 -3.498 1.00 0.00 C ATOM 0 H MET A 45 -2.510 -9.625 -4.397 1.00 0.00 H new ATOM 0 HA MET A 45 0.037 -8.731 -5.241 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.127 -7.552 -5.583 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.233 -7.257 -3.859 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.130 -5.921 -3.972 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.065 -6.192 -5.703 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.610 -4.693 -3.555 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.068 -5.166 -2.804 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.402 -3.452 -3.146 1.00 0.00 H new ATOM 752 N GLN A 46 1.404 -8.124 -3.266 1.00 0.00 N ATOM 753 CA GLN A 46 2.278 -7.966 -2.110 1.00 0.00 C ATOM 754 C GLN A 46 2.598 -6.495 -1.867 1.00 0.00 C ATOM 755 O GLN A 46 2.892 -5.750 -2.802 1.00 0.00 O ATOM 756 CB GLN A 46 3.577 -8.753 -2.307 1.00 0.00 C ATOM 757 CG GLN A 46 3.371 -10.226 -2.615 1.00 0.00 C ATOM 758 CD GLN A 46 2.718 -10.972 -1.467 1.00 0.00 C ATOM 759 OE1 GLN A 46 3.216 -10.961 -0.338 1.00 0.00 O ATOM 760 NE2 GLN A 46 1.599 -11.630 -1.750 1.00 0.00 N ATOM 0 H GLN A 46 1.861 -7.971 -4.165 1.00 0.00 H new ATOM 0 HA GLN A 46 1.754 -8.358 -1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.144 -8.299 -3.120 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.184 -8.663 -1.406 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.753 -10.325 -3.507 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.333 -10.685 -2.842 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.222 -11.612 -2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.116 -12.153 -1.019 1.00 0.00 H new ATOM 769 N LEU A 47 2.538 -6.082 -0.605 1.00 0.00 N ATOM 770 CA LEU A 47 2.752 -4.684 -0.247 1.00 0.00 C ATOM 771 C LEU A 47 3.981 -4.531 0.644 1.00 0.00 C ATOM 772 O LEU A 47 4.041 -5.091 1.739 1.00 0.00 O ATOM 773 CB LEU A 47 1.509 -4.120 0.452 1.00 0.00 C ATOM 774 CG LEU A 47 1.571 -2.624 0.786 1.00 0.00 C ATOM 775 CD1 LEU A 47 1.600 -1.803 -0.497 1.00 0.00 C ATOM 776 CD2 LEU A 47 0.372 -2.243 1.642 1.00 0.00 C ATOM 0 H LEU A 47 2.343 -6.695 0.187 1.00 0.00 H new ATOM 0 HA LEU A 47 2.927 -4.119 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.642 -4.299 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.347 -4.676 1.376 1.00 0.00 H new ATOM 0 HG LEU A 47 2.482 -2.415 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.644 -0.742 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.477 -2.075 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.699 -2.003 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.417 -1.180 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.547 -2.454 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.386 -2.821 2.566 1.00 0.00 H new ATOM 788 N TYR A 48 4.959 -3.769 0.167 1.00 0.00 N ATOM 789 CA TYR A 48 6.249 -3.671 0.840 1.00 0.00 C ATOM 790 C TYR A 48 6.566 -2.225 1.207 1.00 0.00 C ATOM 791 O TYR A 48 6.373 -1.313 0.402 1.00 0.00 O ATOM 792 CB TYR A 48 7.359 -4.247 -0.043 1.00 0.00 C ATOM 793 CG TYR A 48 8.749 -4.066 0.524 1.00 0.00 C ATOM 794 CD1 TYR A 48 9.183 -4.823 1.603 1.00 0.00 C ATOM 795 CD2 TYR A 48 9.624 -3.138 -0.022 1.00 0.00 C ATOM 796 CE1 TYR A 48 10.452 -4.661 2.125 1.00 0.00 C ATOM 797 CE2 TYR A 48 10.895 -2.968 0.492 1.00 0.00 C ATOM 798 CZ TYR A 48 11.306 -3.732 1.566 1.00 0.00 C ATOM 799 OH TYR A 48 12.572 -3.567 2.081 1.00 0.00 O ATOM 0 H TYR A 48 4.883 -3.210 -0.683 1.00 0.00 H new ATOM 0 HA TYR A 48 6.193 -4.253 1.760 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.175 -5.311 -0.194 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.313 -3.773 -1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.517 -5.551 2.042 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.306 -2.539 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.774 -5.258 2.966 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.564 -2.241 0.056 1.00 0.00 H new ATOM 0 HH TYR A 48 13.121 -3.064 1.444 1.00 0.00 H new ATOM 809 N TYR A 49 7.053 -2.025 2.426 1.00 0.00 N ATOM 810 CA TYR A 49 7.575 -0.726 2.835 1.00 0.00 C ATOM 811 C TYR A 49 9.100 -0.723 2.823 1.00 0.00 C ATOM 812 O TYR A 49 9.739 -1.581 3.433 1.00 0.00 O ATOM 813 CB TYR A 49 7.058 -0.355 4.228 1.00 0.00 C ATOM 814 CG TYR A 49 5.569 -0.094 4.279 1.00 0.00 C ATOM 815 CD1 TYR A 49 4.661 -1.143 4.268 1.00 0.00 C ATOM 816 CD2 TYR A 49 5.075 1.200 4.340 1.00 0.00 C ATOM 817 CE1 TYR A 49 3.300 -0.911 4.314 1.00 0.00 C ATOM 818 CE2 TYR A 49 3.716 1.444 4.388 1.00 0.00 C ATOM 819 CZ TYR A 49 2.831 0.385 4.374 1.00 0.00 C ATOM 820 OH TYR A 49 1.477 0.623 4.423 1.00 0.00 O ATOM 0 H TYR A 49 7.097 -2.744 3.148 1.00 0.00 H new ATOM 0 HA TYR A 49 7.225 0.018 2.120 1.00 0.00 H new ATOM 0 HB2 TYR A 49 7.300 -1.161 4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 49 7.585 0.534 4.576 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.025 -2.159 4.223 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.764 2.031 4.350 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.607 -1.739 4.303 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.348 2.458 4.436 1.00 0.00 H new ATOM 0 HH TYR A 49 1.316 1.589 4.463 1.00 0.00 H new ATOM 830 N SER A 50 9.678 0.247 2.123 1.00 0.00 N ATOM 831 CA SER A 50 11.123 0.444 2.137 1.00 0.00 C ATOM 832 C SER A 50 11.706 0.092 3.502 1.00 0.00 C ATOM 833 O SER A 50 11.598 0.865 4.453 1.00 0.00 O ATOM 834 CB SER A 50 11.460 1.875 1.767 1.00 0.00 C ATOM 835 OG SER A 50 12.843 2.099 1.738 1.00 0.00 O ATOM 0 H SER A 50 9.168 0.909 1.539 1.00 0.00 H new ATOM 0 HA SER A 50 11.568 -0.222 1.398 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.035 2.106 0.790 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.998 2.553 2.484 1.00 0.00 H new ATOM 0 HG SER A 50 13.018 3.032 1.494 1.00 0.00 H new ATOM 841 N GLY A 51 12.325 -1.080 3.590 1.00 0.00 N ATOM 842 CA GLY A 51 13.043 -1.453 4.796 1.00 0.00 C ATOM 843 C GLY A 51 12.368 -2.582 5.547 1.00 0.00 C ATOM 844 O GLY A 51 12.957 -3.647 5.740 1.00 0.00 O ATOM 0 H GLY A 51 12.343 -1.779 2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 51 14.058 -1.751 4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.125 -0.584 5.449 1.00 0.00 H new ATOM 848 N ILE A 52 11.129 -2.352 5.973 1.00 0.00 N ATOM 849 CA ILE A 52 10.369 -3.366 6.691 1.00 0.00 C ATOM 850 C ILE A 52 9.142 -3.799 5.895 1.00 0.00 C ATOM 851 O ILE A 52 8.413 -2.967 5.358 1.00 0.00 O ATOM 852 CB ILE A 52 9.920 -2.862 8.075 1.00 0.00 C ATOM 853 CG1 ILE A 52 11.137 -2.530 8.942 1.00 0.00 C ATOM 854 CG2 ILE A 52 9.041 -3.897 8.758 1.00 0.00 C ATOM 855 CD1 ILE A 52 10.795 -1.811 10.226 1.00 0.00 C ATOM 0 H ILE A 52 10.632 -1.472 5.833 1.00 0.00 H new ATOM 0 HA ILE A 52 11.032 -4.220 6.825 1.00 0.00 H new ATOM 0 HB ILE A 52 9.335 -1.952 7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.662 -3.454 9.183 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.826 -1.914 8.364 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.733 -3.525 9.735 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.159 -4.086 8.146 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.601 -4.824 8.883 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.709 -1.611 10.785 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.297 -0.869 9.994 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.132 -2.434 10.826 1.00 0.00 H new ATOM 867 N GLU A 53 8.922 -5.109 5.823 1.00 0.00 N ATOM 868 CA GLU A 53 7.758 -5.650 5.134 1.00 0.00 C ATOM 869 C GLU A 53 6.587 -5.822 6.097 1.00 0.00 C ATOM 870 O GLU A 53 6.624 -6.665 6.994 1.00 0.00 O ATOM 871 CB GLU A 53 8.098 -6.987 4.473 1.00 0.00 C ATOM 872 CG GLU A 53 6.958 -7.602 3.672 1.00 0.00 C ATOM 873 CD GLU A 53 7.381 -8.889 3.021 1.00 0.00 C ATOM 874 OE1 GLU A 53 8.500 -9.295 3.220 1.00 0.00 O ATOM 875 OE2 GLU A 53 6.549 -9.525 2.416 1.00 0.00 O ATOM 0 H GLU A 53 9.535 -5.814 6.233 1.00 0.00 H new ATOM 0 HA GLU A 53 7.466 -4.941 4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.954 -6.845 3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.405 -7.692 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.107 -7.786 4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.625 -6.898 2.909 1.00 0.00 H new ATOM 882 N LEU A 54 5.546 -5.018 5.904 1.00 0.00 N ATOM 883 CA LEU A 54 4.358 -5.088 6.746 1.00 0.00 C ATOM 884 C LEU A 54 3.411 -6.181 6.259 1.00 0.00 C ATOM 885 O LEU A 54 2.873 -6.104 5.155 1.00 0.00 O ATOM 886 CB LEU A 54 3.641 -3.733 6.771 1.00 0.00 C ATOM 887 CG LEU A 54 2.331 -3.700 7.570 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.611 -3.975 9.041 1.00 0.00 C ATOM 889 CD2 LEU A 54 1.661 -2.346 7.392 1.00 0.00 C ATOM 0 H LEU A 54 5.502 -4.310 5.171 1.00 0.00 H new ATOM 0 HA LEU A 54 4.673 -5.336 7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.320 -2.989 7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.429 -3.433 5.745 1.00 0.00 H new ATOM 0 HG LEU A 54 1.659 -4.474 7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.676 -3.950 9.600 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.070 -4.958 9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.288 -3.215 9.431 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.731 -2.323 7.960 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.326 -1.561 7.753 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.446 -2.183 6.336 1.00 0.00 H new ATOM 901 N ALA A 55 3.212 -7.198 7.090 1.00 0.00 N ATOM 902 CA ALA A 55 2.333 -8.307 6.743 1.00 0.00 C ATOM 903 C ALA A 55 1.069 -8.296 7.599 1.00 0.00 C ATOM 904 O ALA A 55 0.254 -9.216 7.532 1.00 0.00 O ATOM 905 CB ALA A 55 3.065 -9.632 6.901 1.00 0.00 C ATOM 0 H ALA A 55 3.648 -7.277 8.009 1.00 0.00 H new ATOM 0 HA ALA A 55 2.037 -8.189 5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.396 -10.451 6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.934 -9.648 6.243 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.390 -9.747 7.935 1.00 0.00 H new ATOM 911 N ASP A 56 0.914 -7.248 8.400 1.00 0.00 N ATOM 912 CA ASP A 56 -0.233 -7.133 9.293 1.00 0.00 C ATOM 913 C ASP A 56 -1.325 -6.271 8.668 1.00 0.00 C ATOM 914 O ASP A 56 -1.197 -5.049 8.589 1.00 0.00 O ATOM 915 CB ASP A 56 0.193 -6.549 10.643 1.00 0.00 C ATOM 916 CG ASP A 56 -0.933 -6.438 11.663 1.00 0.00 C ATOM 917 OD1 ASP A 56 -2.052 -6.735 11.318 1.00 0.00 O ATOM 918 OD2 ASP A 56 -0.644 -6.211 12.814 1.00 0.00 O ATOM 0 H ASP A 56 1.568 -6.466 8.449 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.635 -8.133 9.455 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.985 -7.170 11.060 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.618 -5.559 10.479 1.00 0.00 H new ATOM 923 N ASP A 57 -2.397 -6.916 8.222 1.00 0.00 N ATOM 924 CA ASP A 57 -3.482 -6.217 7.543 1.00 0.00 C ATOM 925 C ASP A 57 -4.178 -5.242 8.490 1.00 0.00 C ATOM 926 O ASP A 57 -4.741 -4.237 8.058 1.00 0.00 O ATOM 927 CB ASP A 57 -4.494 -7.215 6.975 1.00 0.00 C ATOM 928 CG ASP A 57 -4.000 -7.989 5.761 1.00 0.00 C ATOM 929 OD1 ASP A 57 -2.984 -7.621 5.219 1.00 0.00 O ATOM 930 OD2 ASP A 57 -4.548 -9.027 5.480 1.00 0.00 O ATOM 0 H ASP A 57 -2.538 -7.922 8.318 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.052 -5.648 6.719 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.765 -7.924 7.757 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.403 -6.678 6.703 1.00 0.00 H new ATOM 935 N TYR A 58 -4.133 -5.549 9.782 1.00 0.00 N ATOM 936 CA TYR A 58 -4.930 -4.826 10.767 1.00 0.00 C ATOM 937 C TYR A 58 -4.151 -3.645 11.336 1.00 0.00 C ATOM 938 O TYR A 58 -4.671 -2.877 12.149 1.00 0.00 O ATOM 939 CB TYR A 58 -5.367 -5.763 11.894 1.00 0.00 C ATOM 940 CG TYR A 58 -6.308 -6.860 11.449 1.00 0.00 C ATOM 941 CD1 TYR A 58 -7.671 -6.625 11.335 1.00 0.00 C ATOM 942 CD2 TYR A 58 -5.833 -8.128 11.149 1.00 0.00 C ATOM 943 CE1 TYR A 58 -8.535 -7.624 10.930 1.00 0.00 C ATOM 944 CE2 TYR A 58 -6.688 -9.134 10.742 1.00 0.00 C ATOM 945 CZ TYR A 58 -8.040 -8.878 10.633 1.00 0.00 C ATOM 946 OH TYR A 58 -8.896 -9.876 10.230 1.00 0.00 O ATOM 0 H TYR A 58 -3.554 -6.293 10.171 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.819 -4.442 10.266 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.482 -6.216 12.340 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.852 -5.176 12.674 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.063 -5.645 11.567 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.776 -8.333 11.235 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.593 -7.425 10.846 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.301 -10.115 10.510 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.386 -10.695 10.060 1.00 0.00 H new ATOM 956 N ARG A 59 -2.902 -3.503 10.904 1.00 0.00 N ATOM 957 CA ARG A 59 -2.074 -2.376 11.316 1.00 0.00 C ATOM 958 C ARG A 59 -2.576 -1.076 10.693 1.00 0.00 C ATOM 959 O ARG A 59 -2.755 -0.987 9.478 1.00 0.00 O ATOM 960 CB ARG A 59 -0.599 -2.607 11.020 1.00 0.00 C ATOM 961 CG ARG A 59 0.342 -1.571 11.614 1.00 0.00 C ATOM 962 CD ARG A 59 0.674 -1.795 13.045 1.00 0.00 C ATOM 963 NE ARG A 59 1.396 -0.700 13.674 1.00 0.00 N ATOM 964 CZ ARG A 59 1.849 -0.712 14.943 1.00 0.00 C ATOM 965 NH1 ARG A 59 1.625 -1.739 15.732 1.00 0.00 N ATOM 966 NH2 ARG A 59 2.503 0.348 15.382 1.00 0.00 N ATOM 0 H ARG A 59 -2.441 -4.155 10.269 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.162 -2.287 12.399 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.317 -3.591 11.396 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.459 -2.627 9.939 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.266 -1.563 11.036 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.109 -0.584 11.508 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.250 -1.969 13.597 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.271 -2.703 13.129 1.00 0.00 H new ATOM 0 HE ARG A 59 1.572 0.135 13.115 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.101 -2.543 15.386 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.975 -1.732 16.690 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.653 1.146 14.765 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.858 0.368 16.338 1.00 0.00 H new ATOM 980 N ASN A 60 -2.803 -0.072 11.533 1.00 0.00 N ATOM 981 CA ASN A 60 -3.281 1.223 11.065 1.00 0.00 C ATOM 982 C ASN A 60 -2.142 2.039 10.462 1.00 0.00 C ATOM 983 O ASN A 60 -0.987 1.906 10.868 1.00 0.00 O ATOM 984 CB ASN A 60 -3.955 2.003 12.179 1.00 0.00 C ATOM 985 CG ASN A 60 -5.291 1.445 12.587 1.00 0.00 C ATOM 986 OD1 ASN A 60 -6.263 1.487 11.824 1.00 0.00 O ATOM 987 ND2 ASN A 60 -5.364 0.997 13.815 1.00 0.00 N ATOM 0 H ASN A 60 -2.664 -0.131 12.542 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.023 1.034 10.289 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.297 2.019 13.048 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.086 3.037 11.859 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.254 0.661 14.183 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.531 0.984 14.403 1.00 0.00 H new ATOM 994 N LEU A 61 -2.475 2.882 9.491 1.00 0.00 N ATOM 995 CA LEU A 61 -1.465 3.614 8.735 1.00 0.00 C ATOM 996 C LEU A 61 -0.743 4.622 9.623 1.00 0.00 C ATOM 997 O LEU A 61 0.480 4.750 9.565 1.00 0.00 O ATOM 998 CB LEU A 61 -2.109 4.323 7.537 1.00 0.00 C ATOM 999 CG LEU A 61 -2.678 3.394 6.456 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.412 4.208 5.400 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.547 2.592 5.829 1.00 0.00 C ATOM 0 H LEU A 61 -3.436 3.076 9.209 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.729 2.899 8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.912 4.963 7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.366 4.975 7.078 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.390 2.703 6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.812 3.539 4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.230 4.756 5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.720 4.912 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.951 1.932 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.824 3.273 5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.054 1.996 6.597 1.00 0.00 H new ATOM 1013 N ASN A 62 -1.508 5.334 10.445 1.00 0.00 N ATOM 1014 CA ASN A 62 -0.933 6.268 11.406 1.00 0.00 C ATOM 1015 C ASN A 62 -0.074 5.534 12.430 1.00 0.00 C ATOM 1016 O ASN A 62 0.995 6.010 12.813 1.00 0.00 O ATOM 1017 CB ASN A 62 -2.008 7.079 12.105 1.00 0.00 C ATOM 1018 CG ASN A 62 -1.466 8.134 13.028 1.00 0.00 C ATOM 1019 OD1 ASN A 62 -0.779 9.070 12.600 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -1.701 7.946 14.301 1.00 0.00 N ATOM 0 H ASN A 62 -2.526 5.282 10.465 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.299 6.958 10.850 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.637 7.555 11.353 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.647 6.404 12.675 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.311 8.587 14.992 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.274 7.158 14.603 1.00 0.00 H new ATOM 1027 N GLU A 63 -0.547 4.373 12.873 1.00 0.00 N ATOM 1028 CA GLU A 63 0.178 3.576 13.853 1.00 0.00 C ATOM 1029 C GLU A 63 1.483 3.046 13.268 1.00 0.00 C ATOM 1030 O GLU A 63 2.467 2.857 13.982 1.00 0.00 O ATOM 1031 CB GLU A 63 -0.688 2.416 14.349 1.00 0.00 C ATOM 1032 CG GLU A 63 -1.806 2.827 15.297 1.00 0.00 C ATOM 1033 CD GLU A 63 -2.459 1.626 15.924 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -2.868 0.750 15.200 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -2.449 1.530 17.128 1.00 0.00 O ATOM 0 H GLU A 63 -1.430 3.964 12.568 1.00 0.00 H new ATOM 0 HA GLU A 63 0.418 4.221 14.698 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.126 1.911 13.488 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.049 1.691 14.853 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.405 3.474 16.077 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.552 3.407 14.754 1.00 0.00 H new ATOM 1042 N TYR A 64 1.484 2.807 11.960 1.00 0.00 N ATOM 1043 CA TYR A 64 2.688 2.376 11.263 1.00 0.00 C ATOM 1044 C TYR A 64 3.627 3.554 11.015 1.00 0.00 C ATOM 1045 O TYR A 64 4.837 3.380 10.869 1.00 0.00 O ATOM 1046 CB TYR A 64 2.328 1.700 9.937 1.00 0.00 C ATOM 1047 CG TYR A 64 3.472 0.939 9.306 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.810 -0.332 9.746 1.00 0.00 C ATOM 1049 CD2 TYR A 64 4.208 1.492 8.270 1.00 0.00 C ATOM 1050 CE1 TYR A 64 4.854 -1.033 9.174 1.00 0.00 C ATOM 1051 CE2 TYR A 64 5.254 0.801 7.688 1.00 0.00 C ATOM 1052 CZ TYR A 64 5.574 -0.462 8.143 1.00 0.00 C ATOM 1053 OH TYR A 64 6.614 -1.155 7.568 1.00 0.00 O ATOM 0 H TYR A 64 0.663 2.905 11.362 1.00 0.00 H new ATOM 0 HA TYR A 64 3.203 1.654 11.897 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.497 1.015 10.104 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.979 2.459 9.237 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.247 -0.782 10.550 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.960 2.480 7.911 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.105 -2.021 9.531 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.818 1.247 6.882 1.00 0.00 H new ATOM 0 HH TYR A 64 6.436 -2.117 7.623 1.00 0.00 H new ATOM 1063 N GLY A 65 3.058 4.755 10.969 1.00 0.00 N ATOM 1064 CA GLY A 65 3.868 5.959 10.973 1.00 0.00 C ATOM 1065 C GLY A 65 4.274 6.389 9.578 1.00 0.00 C ATOM 1066 O GLY A 65 5.401 6.835 9.361 1.00 0.00 O ATOM 0 H GLY A 65 2.051 4.915 10.929 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.312 6.766 11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.762 5.789 11.572 1.00 0.00 H new ATOM 1070 N ILE A 66 3.354 6.257 8.629 1.00 0.00 N ATOM 1071 CA ILE A 66 3.567 6.770 7.281 1.00 0.00 C ATOM 1072 C ILE A 66 3.228 8.255 7.200 1.00 0.00 C ATOM 1073 O ILE A 66 2.384 8.753 7.947 1.00 0.00 O ATOM 1074 CB ILE A 66 2.727 6.003 6.244 1.00 0.00 C ATOM 1075 CG1 ILE A 66 1.237 6.296 6.440 1.00 0.00 C ATOM 1076 CG2 ILE A 66 2.995 4.509 6.342 1.00 0.00 C ATOM 1077 CD1 ILE A 66 0.368 5.849 5.287 1.00 0.00 C ATOM 0 H ILE A 66 2.453 5.799 8.768 1.00 0.00 H new ATOM 0 HA ILE A 66 4.623 6.627 7.052 1.00 0.00 H new ATOM 0 HB ILE A 66 3.016 6.339 5.248 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.897 5.803 7.351 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.104 7.368 6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.393 3.982 5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.051 4.316 6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.733 4.157 7.340 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.673 6.091 5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.680 6.361 4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.469 4.772 5.151 1.00 0.00 H new ATOM 1089 N THR A 67 3.889 8.959 6.286 1.00 0.00 N ATOM 1090 CA THR A 67 3.727 10.402 6.167 1.00 0.00 C ATOM 1091 C THR A 67 3.128 10.779 4.818 1.00 0.00 C ATOM 1092 O THR A 67 2.847 9.913 3.990 1.00 0.00 O ATOM 1093 CB THR A 67 5.067 11.138 6.347 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.935 10.833 5.248 1.00 0.00 O ATOM 1095 CG2 THR A 67 5.735 10.719 7.648 1.00 0.00 C ATOM 0 H THR A 67 4.542 8.552 5.617 1.00 0.00 H new ATOM 0 HA THR A 67 3.046 10.708 6.961 1.00 0.00 H new ATOM 0 HB THR A 67 4.874 12.210 6.379 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.787 11.304 5.363 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.681 11.249 7.759 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.083 10.962 8.487 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.921 9.645 7.632 1.00 0.00 H new ATOM 1103 N GLU A 68 2.937 12.077 4.602 1.00 0.00 N ATOM 1104 CA GLU A 68 2.353 12.567 3.357 1.00 0.00 C ATOM 1105 C GLU A 68 3.193 12.135 2.158 1.00 0.00 C ATOM 1106 O GLU A 68 2.679 11.979 1.049 1.00 0.00 O ATOM 1107 CB GLU A 68 2.219 14.090 3.390 1.00 0.00 C ATOM 1108 CG GLU A 68 1.628 14.696 2.124 1.00 0.00 C ATOM 1109 CD GLU A 68 1.443 16.182 2.265 1.00 0.00 C ATOM 1110 OE1 GLU A 68 1.779 16.708 3.298 1.00 0.00 O ATOM 1111 OE2 GLU A 68 1.070 16.808 1.301 1.00 0.00 O ATOM 0 H GLU A 68 3.178 12.808 5.272 1.00 0.00 H new ATOM 0 HA GLU A 68 1.359 12.132 3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.594 14.369 4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.203 14.526 3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.283 14.487 1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.668 14.227 1.907 1.00 0.00 H new ATOM 1118 N PHE A 69 4.488 11.948 2.387 1.00 0.00 N ATOM 1119 CA PHE A 69 5.428 11.697 1.300 1.00 0.00 C ATOM 1120 C PHE A 69 5.860 10.232 1.281 1.00 0.00 C ATOM 1121 O PHE A 69 6.889 9.886 0.703 1.00 0.00 O ATOM 1122 CB PHE A 69 6.649 12.608 1.429 1.00 0.00 C ATOM 1123 CG PHE A 69 6.319 14.073 1.403 1.00 0.00 C ATOM 1124 CD1 PHE A 69 6.093 14.727 0.201 1.00 0.00 C ATOM 1125 CD2 PHE A 69 6.233 14.800 2.581 1.00 0.00 C ATOM 1126 CE1 PHE A 69 5.790 16.075 0.175 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.928 16.148 2.558 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.707 16.785 1.356 1.00 0.00 C ATOM 0 H PHE A 69 4.911 11.965 3.315 1.00 0.00 H new ATOM 0 HA PHE A 69 4.924 11.917 0.359 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.165 12.378 2.361 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.343 12.387 0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.155 14.176 -0.726 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.406 14.308 3.526 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.618 16.572 -0.768 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.863 16.702 3.483 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.469 17.838 1.338 1.00 0.00 H new ATOM 1138 N SER A 70 5.065 9.380 1.919 1.00 0.00 N ATOM 1139 CA SER A 70 5.401 7.966 2.040 1.00 0.00 C ATOM 1140 C SER A 70 5.501 7.311 0.665 1.00 0.00 C ATOM 1141 O SER A 70 4.591 7.425 -0.155 1.00 0.00 O ATOM 1142 CB SER A 70 4.369 7.254 2.894 1.00 0.00 C ATOM 1143 OG SER A 70 4.636 5.884 3.009 1.00 0.00 O ATOM 0 H SER A 70 4.184 9.644 2.360 1.00 0.00 H new ATOM 0 HA SER A 70 6.374 7.884 2.525 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.348 7.704 3.887 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.379 7.395 2.459 1.00 0.00 H new ATOM 0 HG SER A 70 3.872 5.436 3.429 1.00 0.00 H new ATOM 1149 N GLU A 71 6.614 6.625 0.422 1.00 0.00 N ATOM 1150 CA GLU A 71 6.778 5.843 -0.797 1.00 0.00 C ATOM 1151 C GLU A 71 6.688 4.348 -0.500 1.00 0.00 C ATOM 1152 O GLU A 71 7.519 3.799 0.223 1.00 0.00 O ATOM 1153 CB GLU A 71 8.113 6.169 -1.469 1.00 0.00 C ATOM 1154 CG GLU A 71 8.181 7.556 -2.092 1.00 0.00 C ATOM 1155 CD GLU A 71 9.459 7.748 -2.860 1.00 0.00 C ATOM 1156 OE1 GLU A 71 10.207 6.807 -2.976 1.00 0.00 O ATOM 1157 OE2 GLU A 71 9.636 8.801 -3.426 1.00 0.00 O ATOM 0 H GLU A 71 7.415 6.595 1.053 1.00 0.00 H new ATOM 0 HA GLU A 71 5.970 6.108 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.910 6.076 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.307 5.426 -2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.329 7.700 -2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.107 8.312 -1.310 1.00 0.00 H new ATOM 1164 N ILE A 72 5.676 3.699 -1.065 1.00 0.00 N ATOM 1165 CA ILE A 72 5.422 2.291 -0.786 1.00 0.00 C ATOM 1166 C ILE A 72 5.478 1.460 -2.063 1.00 0.00 C ATOM 1167 O ILE A 72 4.861 1.807 -3.070 1.00 0.00 O ATOM 1168 CB ILE A 72 4.054 2.086 -0.110 1.00 0.00 C ATOM 1169 CG1 ILE A 72 3.947 2.952 1.149 1.00 0.00 C ATOM 1170 CG2 ILE A 72 3.842 0.619 0.229 1.00 0.00 C ATOM 1171 CD1 ILE A 72 2.574 2.943 1.780 1.00 0.00 C ATOM 0 H ILE A 72 5.019 4.125 -1.718 1.00 0.00 H new ATOM 0 HA ILE A 72 6.205 1.959 -0.104 1.00 0.00 H new ATOM 0 HB ILE A 72 3.273 2.392 -0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.676 2.604 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.214 3.978 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.870 0.493 0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.878 0.026 -0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.626 0.286 0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.576 3.578 2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.843 3.320 1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.311 1.924 2.065 1.00 0.00 H new ATOM 1183 N VAL A 73 6.219 0.357 -2.013 1.00 0.00 N ATOM 1184 CA VAL A 73 6.489 -0.437 -3.204 1.00 0.00 C ATOM 1185 C VAL A 73 5.590 -1.668 -3.262 1.00 0.00 C ATOM 1186 O VAL A 73 5.493 -2.425 -2.295 1.00 0.00 O ATOM 1187 CB VAL A 73 7.961 -0.886 -3.262 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.210 -1.742 -4.496 1.00 0.00 C ATOM 1189 CG2 VAL A 73 8.887 0.320 -3.257 1.00 0.00 C ATOM 0 H VAL A 73 6.643 -0.006 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 73 6.280 0.203 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 73 8.172 -1.487 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.255 -2.050 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.572 -2.625 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.981 -1.165 -5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.923 -0.017 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.674 0.946 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.729 0.896 -2.345 1.00 0.00 H new ATOM 1199 N VAL A 74 4.934 -1.862 -4.401 1.00 0.00 N ATOM 1200 CA VAL A 74 3.970 -2.946 -4.552 1.00 0.00 C ATOM 1201 C VAL A 74 4.453 -3.971 -5.573 1.00 0.00 C ATOM 1202 O VAL A 74 4.863 -3.617 -6.677 1.00 0.00 O ATOM 1203 CB VAL A 74 2.588 -2.419 -4.982 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.586 -3.560 -5.070 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.098 -1.355 -4.012 1.00 0.00 C ATOM 0 H VAL A 74 5.052 -1.283 -5.233 1.00 0.00 H new ATOM 0 HA VAL A 74 3.877 -3.423 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 74 2.684 -1.968 -5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.615 -3.169 -5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.930 -4.290 -5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.494 -4.039 -4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.120 -0.994 -4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.018 -1.783 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.804 -0.525 -3.996 1.00 0.00 H new ATOM 1215 N PHE A 75 4.402 -5.243 -5.194 1.00 0.00 N ATOM 1216 CA PHE A 75 4.874 -6.318 -6.058 1.00 0.00 C ATOM 1217 C PHE A 75 3.712 -7.187 -6.533 1.00 0.00 C ATOM 1218 O PHE A 75 2.758 -7.428 -5.790 1.00 0.00 O ATOM 1219 CB PHE A 75 5.912 -7.175 -5.330 1.00 0.00 C ATOM 1220 CG PHE A 75 7.163 -6.430 -4.964 1.00 0.00 C ATOM 1221 CD1 PHE A 75 8.190 -6.273 -5.882 1.00 0.00 C ATOM 1222 CD2 PHE A 75 7.316 -5.883 -3.698 1.00 0.00 C ATOM 1223 CE1 PHE A 75 9.342 -5.590 -5.546 1.00 0.00 C ATOM 1224 CE2 PHE A 75 8.466 -5.197 -3.359 1.00 0.00 C ATOM 1225 CZ PHE A 75 9.479 -5.051 -4.282 1.00 0.00 C ATOM 0 H PHE A 75 4.038 -5.555 -4.294 1.00 0.00 H new ATOM 0 HA PHE A 75 5.343 -5.866 -6.932 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.463 -7.581 -4.423 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.177 -8.023 -5.961 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.088 -6.690 -6.873 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.527 -5.995 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.135 -5.477 -6.271 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.571 -4.775 -2.370 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.379 -4.516 -4.017 1.00 0.00 H new ATOM 1235 N LEU A 76 3.797 -7.652 -7.773 1.00 0.00 N ATOM 1236 CA LEU A 76 2.708 -8.409 -8.383 1.00 0.00 C ATOM 1237 C LEU A 76 3.000 -9.906 -8.350 1.00 0.00 C ATOM 1238 O LEU A 76 4.096 -10.344 -8.698 1.00 0.00 O ATOM 1239 CB LEU A 76 2.478 -7.941 -9.826 1.00 0.00 C ATOM 1240 CG LEU A 76 1.978 -6.498 -9.972 1.00 0.00 C ATOM 1241 CD1 LEU A 76 1.916 -6.114 -11.444 1.00 0.00 C ATOM 1242 CD2 LEU A 76 0.608 -6.367 -9.322 1.00 0.00 C ATOM 0 H LEU A 76 4.608 -7.519 -8.377 1.00 0.00 H new ATOM 0 HA LEU A 76 1.801 -8.227 -7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.413 -8.042 -10.377 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.756 -8.608 -10.297 1.00 0.00 H new ATOM 0 HG LEU A 76 2.670 -5.820 -9.472 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.560 -5.088 -11.538 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.910 -6.195 -11.883 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.233 -6.784 -11.966 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.253 -5.342 -9.426 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.092 -7.045 -9.810 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.681 -6.620 -8.264 1.00 0.00 H new ATOM 1254 N LYS A 77 2.011 -10.687 -7.927 1.00 0.00 N ATOM 1255 CA LYS A 77 2.092 -12.140 -8.014 1.00 0.00 C ATOM 1256 C LYS A 77 1.401 -12.649 -9.275 1.00 0.00 C ATOM 1257 O LYS A 77 0.383 -12.102 -9.700 1.00 0.00 O ATOM 1258 CB LYS A 77 1.474 -12.787 -6.774 1.00 0.00 C ATOM 1259 CG LYS A 77 1.470 -14.311 -6.797 1.00 0.00 C ATOM 1260 CD LYS A 77 2.877 -14.870 -6.651 1.00 0.00 C ATOM 1261 CE LYS A 77 2.868 -16.391 -6.624 1.00 0.00 C ATOM 1262 NZ LYS A 77 4.195 -16.949 -6.247 1.00 0.00 N ATOM 0 H LYS A 77 1.144 -10.337 -7.520 1.00 0.00 H new ATOM 0 HA LYS A 77 3.145 -12.417 -8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.020 -12.450 -5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.448 -12.434 -6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.841 -14.687 -5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.032 -14.662 -7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.496 -14.523 -7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.328 -14.491 -5.734 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.115 -16.737 -5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.581 -16.769 -7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.146 -17.988 -6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.910 -16.641 -6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.458 -16.609 -5.300 1.00 0.00 H new ATOM 1276 N SER A 78 1.959 -13.700 -9.866 1.00 0.00 N ATOM 1277 CA SER A 78 1.382 -14.296 -11.066 1.00 0.00 C ATOM 1278 C SER A 78 -0.036 -14.791 -10.801 1.00 0.00 C ATOM 1279 O SER A 78 -0.257 -15.637 -9.933 1.00 0.00 O ATOM 1280 CB SER A 78 2.256 -15.433 -11.559 1.00 0.00 C ATOM 1281 OG SER A 78 1.739 -16.032 -12.715 1.00 0.00 O ATOM 0 H SER A 78 2.809 -14.156 -9.534 1.00 0.00 H new ATOM 0 HA SER A 78 1.334 -13.529 -11.839 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.258 -15.057 -11.763 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.351 -16.183 -10.774 1.00 0.00 H new ATOM 0 HG SER A 78 2.332 -16.758 -13.001 1.00 0.00 H new ATOM 1287 N ILE A 79 -0.994 -14.256 -11.552 1.00 0.00 N ATOM 1288 CA ILE A 79 -2.389 -14.648 -11.401 1.00 0.00 C ATOM 1289 C ILE A 79 -3.004 -15.023 -12.745 1.00 0.00 C ATOM 1290 O ILE A 79 -2.342 -14.960 -13.781 1.00 0.00 O ATOM 1291 CB ILE A 79 -3.224 -13.524 -10.759 1.00 0.00 C ATOM 1292 CG1 ILE A 79 -3.151 -12.253 -11.610 1.00 0.00 C ATOM 1293 CG2 ILE A 79 -2.745 -13.247 -9.343 1.00 0.00 C ATOM 1294 CD1 ILE A 79 -4.081 -11.155 -11.147 1.00 0.00 C ATOM 0 H ILE A 79 -0.829 -13.551 -12.270 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.403 -15.518 -10.744 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.263 -13.849 -10.712 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.128 -11.878 -11.599 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.388 -12.505 -12.644 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.346 -12.450 -8.905 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.846 -14.150 -8.741 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.699 -12.941 -9.366 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.973 -10.288 -11.798 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.111 -11.511 -11.184 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.831 -10.874 -10.124 1.00 0.00 H new ATOM 1306 N ASN A 80 -4.274 -15.412 -12.721 1.00 0.00 N ATOM 1307 CA ASN A 80 -4.976 -15.804 -13.938 1.00 0.00 C ATOM 1308 C ASN A 80 -5.956 -14.720 -14.374 1.00 0.00 C ATOM 1309 O ASN A 80 -7.043 -14.589 -13.810 1.00 0.00 O ATOM 1310 CB ASN A 80 -5.697 -17.127 -13.764 1.00 0.00 C ATOM 1311 CG ASN A 80 -6.357 -17.628 -15.018 1.00 0.00 C ATOM 1312 OD1 ASN A 80 -6.643 -16.858 -15.943 1.00 0.00 O ATOM 1313 ND2 ASN A 80 -6.675 -18.898 -15.022 1.00 0.00 N ATOM 0 H ASN A 80 -4.838 -15.464 -11.873 1.00 0.00 H new ATOM 0 HA ASN A 80 -4.226 -15.930 -14.719 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.985 -17.875 -13.416 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.452 -17.019 -12.985 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.182 -19.294 -15.813 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.416 -19.491 -14.234 1.00 0.00 H new ATOM 1320 N ARG A 81 -5.565 -13.946 -15.380 1.00 0.00 N ATOM 1321 CA ARG A 81 -6.415 -12.882 -15.900 1.00 0.00 C ATOM 1322 C ARG A 81 -6.840 -13.177 -17.335 1.00 0.00 C ATOM 1323 O ARG A 81 -7.061 -12.263 -18.129 1.00 0.00 O ATOM 1324 CB ARG A 81 -5.761 -11.513 -15.781 1.00 0.00 C ATOM 1325 CG ARG A 81 -5.517 -11.042 -14.355 1.00 0.00 C ATOM 1326 CD ARG A 81 -6.752 -10.690 -13.608 1.00 0.00 C ATOM 1327 NE ARG A 81 -7.536 -9.622 -14.208 1.00 0.00 N ATOM 1328 CZ ARG A 81 -8.744 -9.220 -13.768 1.00 0.00 C ATOM 1329 NH1 ARG A 81 -9.327 -9.815 -12.751 1.00 0.00 N ATOM 1330 NH2 ARG A 81 -9.340 -8.224 -14.401 1.00 0.00 N ATOM 0 H ARG A 81 -4.665 -14.035 -15.852 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.312 -12.853 -15.282 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.808 -11.535 -16.309 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.390 -10.781 -16.288 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.988 -11.825 -13.812 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.861 -10.172 -14.379 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.377 -11.579 -13.524 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.477 -10.397 -12.595 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.144 -9.144 -15.019 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.864 -10.594 -12.282 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.242 -9.498 -12.431 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.885 -7.782 -15.200 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.255 -7.898 -14.091 1.00 0.00 H new ATOM 1344 N ALA A 82 -6.952 -14.461 -17.662 1.00 0.00 N ATOM 1345 CA ALA A 82 -7.398 -14.876 -18.986 1.00 0.00 C ATOM 1346 C ALA A 82 -8.885 -14.598 -19.176 1.00 0.00 C ATOM 1347 O ALA A 82 -9.644 -14.529 -18.208 1.00 0.00 O ATOM 1348 CB ALA A 82 -7.104 -16.352 -19.203 1.00 0.00 C ATOM 0 H ALA A 82 -6.740 -15.231 -17.028 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.848 -14.295 -19.726 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.442 -16.648 -20.196 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.031 -16.526 -19.118 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -7.627 -16.942 -18.450 1.00 0.00 H new ATOM 1354 N LYS A 83 -9.297 -14.436 -20.429 1.00 0.00 N ATOM 1355 CA LYS A 83 -10.694 -14.166 -20.748 1.00 0.00 C ATOM 1356 C LYS A 83 -11.187 -12.919 -20.020 1.00 0.00 C ATOM 1357 O LYS A 83 -12.338 -12.856 -19.588 1.00 0.00 O ATOM 1358 CB LYS A 83 -11.569 -15.368 -20.388 1.00 0.00 C ATOM 1359 CG LYS A 83 -11.182 -16.661 -21.093 1.00 0.00 C ATOM 1360 CD LYS A 83 -12.120 -17.799 -20.714 1.00 0.00 C ATOM 1361 CE LYS A 83 -11.680 -19.112 -21.345 1.00 0.00 C ATOM 1362 NZ LYS A 83 -12.550 -20.246 -20.933 1.00 0.00 N ATOM 0 H LYS A 83 -8.682 -14.487 -21.241 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.767 -13.989 -21.821 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.521 -15.527 -19.311 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.606 -15.133 -20.630 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.206 -16.511 -22.172 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.158 -16.928 -20.831 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.147 -17.905 -19.630 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.134 -17.560 -21.036 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.698 -19.017 -22.431 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.649 -19.324 -21.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.216 -21.121 -21.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.513 -20.354 -19.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.530 -20.057 -21.227 1.00 0.00 H new ATOM 1376 N ASP A 84 -10.309 -11.930 -19.892 1.00 0.00 N ATOM 1377 CA ASP A 84 -10.667 -10.669 -19.253 1.00 0.00 C ATOM 1378 C ASP A 84 -10.489 -9.502 -20.217 1.00 0.00 C ATOM 1379 O ASP A 84 -9.435 -8.866 -20.205 1.00 0.00 O ATOM 1380 CB ASP A 84 -9.827 -10.447 -17.993 1.00 0.00 C ATOM 1381 CG ASP A 84 -10.217 -11.327 -16.813 1.00 0.00 C ATOM 1382 OD1 ASP A 84 -11.251 -11.950 -16.878 1.00 0.00 O ATOM 1383 OD2 ASP A 84 -9.410 -11.492 -15.929 1.00 0.00 O ATOM 1384 OXT ASP A 84 -11.370 -9.211 -20.977 1.00 0.00 O ATOM 0 H ASP A 84 -9.345 -11.977 -20.222 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.718 -10.722 -18.968 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.779 -10.626 -18.234 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.911 -9.402 -17.695 1.00 0.00 H new TER 1389 ASP A 84