USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 661 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 57 TYR OH : rot -89:sc= 1.15 USER MOD Set 1.2: A 59 SER OG : rot -36:sc= 1.3 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= -0.0346 USER MOD Set 2.2: A 28 GLN : amide:sc= -0.0407 K(o=-0.075,f=-0.94) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.0234 (180deg=-0.555) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 160:sc= -0.604 (180deg=-1.39!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00824 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0742) USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= 1.18 (180deg=0.842) USER MOD Single : A 43 SER OG : rot 63:sc= 1.15 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.822 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -152:sc= -0.43 (180deg=-1.03) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -3.25 F(o=-6.6!,f=-3.2) USER MOD Single : A 74 GLN : amide:sc= -0.311 K(o=-0.31,f=-1.5) USER MOD Single : A 77 GLN : amide:sc=-0.000262 X(o=-0.00026,f=0) USER MOD Single : A 79 TYR OH : rot -140:sc= 0.549 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -2.06 K(o=-2.1,f=-4.7!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 0.189 5.101 -13.155 1.00 0.00 N ATOM 67 CA GLN A 8 0.878 3.858 -13.482 1.00 0.00 C ATOM 68 C GLN A 8 0.866 2.901 -12.294 1.00 0.00 C ATOM 69 O GLN A 8 0.884 3.329 -11.139 1.00 0.00 O ATOM 70 CB GLN A 8 2.319 4.145 -13.906 1.00 0.00 C ATOM 71 CG GLN A 8 3.160 4.783 -12.812 1.00 0.00 C ATOM 72 CD GLN A 8 4.357 5.535 -13.360 1.00 0.00 C ATOM 73 OE1 GLN A 8 5.310 4.932 -13.853 1.00 0.00 O ATOM 74 NE2 GLN A 8 4.313 6.859 -13.277 1.00 0.00 N ATOM 0 HA GLN A 8 0.350 3.387 -14.311 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.790 3.213 -14.217 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.309 4.803 -14.775 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.539 5.468 -12.234 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.505 4.009 -12.126 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.503 7.317 -12.860 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.090 7.418 -13.630 1.00 0.00 H new ATOM 83 N LEU A 9 0.836 1.605 -12.585 1.00 0.00 N ATOM 84 CA LEU A 9 0.822 0.587 -11.540 1.00 0.00 C ATOM 85 C LEU A 9 2.223 0.362 -10.980 1.00 0.00 C ATOM 86 O LEU A 9 3.179 0.166 -11.731 1.00 0.00 O ATOM 87 CB LEU A 9 0.262 -0.727 -12.089 1.00 0.00 C ATOM 88 CG LEU A 9 -1.251 -0.914 -11.968 1.00 0.00 C ATOM 89 CD1 LEU A 9 -1.951 -0.424 -13.225 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.587 -2.374 -11.702 1.00 0.00 C ATOM 0 H LEU A 9 0.821 1.234 -13.535 1.00 0.00 H new ATOM 0 HA LEU A 9 0.181 0.939 -10.732 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.534 -0.803 -13.142 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.752 -1.552 -11.572 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.606 -0.321 -11.125 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.027 -0.565 -13.121 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.736 0.634 -13.372 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.593 -0.990 -14.085 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.668 -2.489 -11.619 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.219 -2.988 -12.524 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.115 -2.692 -10.772 1.00 0.00 H new ATOM 102 N LEU A 10 2.337 0.388 -9.657 1.00 0.00 N ATOM 103 CA LEU A 10 3.621 0.184 -8.995 1.00 0.00 C ATOM 104 C LEU A 10 3.698 -1.207 -8.373 1.00 0.00 C ATOM 105 O LEU A 10 2.721 -1.704 -7.813 1.00 0.00 O ATOM 106 CB LEU A 10 3.837 1.249 -7.919 1.00 0.00 C ATOM 107 CG LEU A 10 3.178 2.605 -8.175 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.607 3.614 -7.121 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.518 3.110 -9.569 1.00 0.00 C ATOM 0 H LEU A 10 1.556 0.548 -9.021 1.00 0.00 H new ATOM 0 HA LEU A 10 4.407 0.270 -9.746 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.465 0.860 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.909 1.405 -7.801 1.00 0.00 H new ATOM 0 HG LEU A 10 2.097 2.480 -8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.128 4.573 -7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.311 3.258 -6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.690 3.735 -7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.040 4.076 -9.733 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.598 3.219 -9.663 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.159 2.397 -10.312 1.00 0.00 H new ATOM 121 N THR A 11 4.868 -1.830 -8.473 1.00 0.00 N ATOM 122 CA THR A 11 5.074 -3.163 -7.920 1.00 0.00 C ATOM 123 C THR A 11 5.687 -3.090 -6.526 1.00 0.00 C ATOM 124 O THR A 11 6.890 -2.872 -6.376 1.00 0.00 O ATOM 125 CB THR A 11 5.985 -4.012 -8.826 1.00 0.00 C ATOM 126 OG1 THR A 11 5.466 -4.035 -10.160 1.00 0.00 O ATOM 127 CG2 THR A 11 6.100 -5.434 -8.297 1.00 0.00 C ATOM 0 H THR A 11 5.688 -1.433 -8.932 1.00 0.00 H new ATOM 0 HA THR A 11 4.094 -3.636 -7.859 1.00 0.00 H new ATOM 0 HB THR A 11 6.977 -3.561 -8.831 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.052 -4.576 -10.730 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.748 -6.015 -8.953 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.523 -5.415 -7.293 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.111 -5.892 -8.266 1.00 0.00 H new ATOM 135 N LEU A 12 4.854 -3.275 -5.508 1.00 0.00 N ATOM 136 CA LEU A 12 5.314 -3.232 -4.125 1.00 0.00 C ATOM 137 C LEU A 12 5.028 -4.550 -3.414 1.00 0.00 C ATOM 138 O LEU A 12 4.417 -5.455 -3.983 1.00 0.00 O ATOM 139 CB LEU A 12 4.640 -2.080 -3.378 1.00 0.00 C ATOM 140 CG LEU A 12 4.602 -0.737 -4.109 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.502 0.148 -3.543 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.952 -0.040 -4.015 1.00 0.00 C ATOM 0 H LEU A 12 3.856 -3.456 -5.615 1.00 0.00 H new ATOM 0 HA LEU A 12 6.392 -3.071 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.616 -2.374 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.155 -1.939 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 12 4.385 -0.923 -5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.490 1.099 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.538 -0.347 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.688 0.327 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.906 0.914 -4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.199 0.134 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.718 -0.668 -4.469 1.00 0.00 H new ATOM 154 N LYS A 13 5.471 -4.652 -2.166 1.00 0.00 N ATOM 155 CA LYS A 13 5.260 -5.858 -1.374 1.00 0.00 C ATOM 156 C LYS A 13 4.490 -5.542 -0.096 1.00 0.00 C ATOM 157 O LYS A 13 4.897 -4.686 0.690 1.00 0.00 O ATOM 158 CB LYS A 13 6.602 -6.506 -1.026 1.00 0.00 C ATOM 159 CG LYS A 13 7.117 -7.453 -2.097 1.00 0.00 C ATOM 160 CD LYS A 13 8.502 -7.977 -1.759 1.00 0.00 C ATOM 161 CE LYS A 13 8.998 -8.958 -2.810 1.00 0.00 C ATOM 162 NZ LYS A 13 10.425 -9.327 -2.595 1.00 0.00 N ATOM 0 H LYS A 13 5.979 -3.913 -1.680 1.00 0.00 H new ATOM 0 HA LYS A 13 4.670 -6.555 -1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.342 -5.723 -0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.500 -7.053 -0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.427 -8.290 -2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.147 -6.937 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.199 -7.143 -1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.480 -8.466 -0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.383 -9.857 -2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.882 -8.518 -3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.725 -9.997 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.016 -8.472 -2.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.532 -9.770 -1.660 1.00 0.00 H new ATOM 176 N ILE A 14 3.377 -6.239 0.106 1.00 0.00 N ATOM 177 CA ILE A 14 2.552 -6.034 1.290 1.00 0.00 C ATOM 178 C ILE A 14 3.062 -6.860 2.466 1.00 0.00 C ATOM 179 O ILE A 14 3.260 -8.070 2.350 1.00 0.00 O ATOM 180 CB ILE A 14 1.080 -6.400 1.021 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.468 -5.431 0.007 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.286 -6.388 2.319 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.769 -5.792 -1.431 1.00 0.00 C ATOM 0 H ILE A 14 3.026 -6.951 -0.535 1.00 0.00 H new ATOM 0 HA ILE A 14 2.615 -4.975 1.538 1.00 0.00 H new ATOM 0 HB ILE A 14 1.041 -7.406 0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.613 -5.405 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.840 -4.426 0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.752 -6.648 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.711 -7.113 3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.329 -5.393 2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.304 -5.062 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.848 -5.790 -1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.372 -6.784 -1.648 1.00 0.00 H new ATOM 195 N LYS A 15 3.273 -6.199 3.599 1.00 0.00 N ATOM 196 CA LYS A 15 3.758 -6.871 4.799 1.00 0.00 C ATOM 197 C LYS A 15 3.044 -6.349 6.041 1.00 0.00 C ATOM 198 O LYS A 15 3.190 -5.182 6.408 1.00 0.00 O ATOM 199 CB LYS A 15 5.268 -6.673 4.944 1.00 0.00 C ATOM 200 CG LYS A 15 5.883 -7.486 6.071 1.00 0.00 C ATOM 201 CD LYS A 15 7.315 -7.060 6.348 1.00 0.00 C ATOM 202 CE LYS A 15 7.759 -7.475 7.743 1.00 0.00 C ATOM 203 NZ LYS A 15 7.262 -6.535 8.786 1.00 0.00 N ATOM 0 H LYS A 15 3.116 -5.198 3.712 1.00 0.00 H new ATOM 0 HA LYS A 15 3.545 -7.936 4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.753 -6.943 4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.473 -5.616 5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.286 -7.367 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.861 -8.544 5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.978 -7.505 5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.401 -5.978 6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.394 -8.480 7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.848 -7.516 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.586 -6.852 9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.630 -5.581 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.222 -6.515 8.768 1.00 0.00 H new ATOM 217 N CYS A 16 2.274 -7.219 6.685 1.00 0.00 N ATOM 218 CA CYS A 16 1.537 -6.845 7.887 1.00 0.00 C ATOM 219 C CYS A 16 2.432 -6.926 9.120 1.00 0.00 C ATOM 220 O CYS A 16 2.876 -8.007 9.507 1.00 0.00 O ATOM 221 CB CYS A 16 0.319 -7.751 8.066 1.00 0.00 C ATOM 222 SG CYS A 16 -0.840 -7.712 6.679 1.00 0.00 S ATOM 0 H CYS A 16 2.144 -8.188 6.395 1.00 0.00 H new ATOM 0 HA CYS A 16 1.200 -5.815 7.771 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.660 -8.776 8.212 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.208 -7.458 8.974 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.835 -8.512 6.923 1.00 0.00 H new ATOM 340 N ILE A 24 4.323 -12.803 2.880 1.00 0.00 N ATOM 341 CA ILE A 24 4.345 -11.613 2.038 1.00 0.00 C ATOM 342 C ILE A 24 3.734 -11.897 0.670 1.00 0.00 C ATOM 343 O ILE A 24 3.761 -13.030 0.188 1.00 0.00 O ATOM 344 CB ILE A 24 5.779 -11.086 1.847 1.00 0.00 C ATOM 345 CG1 ILE A 24 6.486 -10.967 3.199 1.00 0.00 C ATOM 346 CG2 ILE A 24 5.759 -9.742 1.135 1.00 0.00 C ATOM 347 CD1 ILE A 24 7.987 -10.815 3.085 1.00 0.00 C ATOM 0 HA ILE A 24 3.752 -10.854 2.548 1.00 0.00 H new ATOM 0 HB ILE A 24 6.331 -11.795 1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.082 -10.109 3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.263 -11.851 3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.780 -9.383 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.289 -9.855 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.193 -9.024 1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.421 -10.736 4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.403 -11.684 2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.219 -9.915 2.516 1.00 0.00 H new ATOM 359 N LEU A 25 3.184 -10.860 0.048 1.00 0.00 N ATOM 360 CA LEU A 25 2.567 -10.997 -1.267 1.00 0.00 C ATOM 361 C LEU A 25 2.997 -9.862 -2.191 1.00 0.00 C ATOM 362 O LEU A 25 3.551 -8.859 -1.741 1.00 0.00 O ATOM 363 CB LEU A 25 1.043 -11.014 -1.138 1.00 0.00 C ATOM 364 CG LEU A 25 0.474 -11.893 -0.023 1.00 0.00 C ATOM 365 CD1 LEU A 25 -0.946 -11.469 0.319 1.00 0.00 C ATOM 366 CD2 LEU A 25 0.511 -13.359 -0.428 1.00 0.00 C ATOM 0 H LEU A 25 3.153 -9.916 0.433 1.00 0.00 H new ATOM 0 HA LEU A 25 2.900 -11.940 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.700 -9.992 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.622 -11.347 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 25 1.093 -11.766 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.334 -12.106 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.946 -10.431 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.577 -11.566 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.102 -13.969 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.084 -13.502 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.541 -13.657 -0.622 1.00 0.00 H new ATOM 378 N GLU A 26 2.736 -10.026 -3.484 1.00 0.00 N ATOM 379 CA GLU A 26 3.096 -9.014 -4.470 1.00 0.00 C ATOM 380 C GLU A 26 1.863 -8.533 -5.230 1.00 0.00 C ATOM 381 O GLU A 26 1.234 -9.295 -5.964 1.00 0.00 O ATOM 382 CB GLU A 26 4.128 -9.572 -5.453 1.00 0.00 C ATOM 383 CG GLU A 26 4.891 -8.497 -6.209 1.00 0.00 C ATOM 384 CD GLU A 26 5.454 -8.998 -7.525 1.00 0.00 C ATOM 385 OE1 GLU A 26 4.658 -9.430 -8.385 1.00 0.00 O ATOM 386 OE2 GLU A 26 6.690 -8.957 -7.694 1.00 0.00 O ATOM 0 H GLU A 26 2.277 -10.850 -3.873 1.00 0.00 H new ATOM 0 HA GLU A 26 3.530 -8.166 -3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.838 -10.194 -4.908 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.622 -10.219 -6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.229 -7.652 -6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.706 -8.129 -5.586 1.00 0.00 H new ATOM 393 N LYS A 27 1.522 -7.261 -5.048 1.00 0.00 N ATOM 394 CA LYS A 27 0.366 -6.675 -5.715 1.00 0.00 C ATOM 395 C LYS A 27 0.757 -5.408 -6.468 1.00 0.00 C ATOM 396 O LYS A 27 1.655 -4.679 -6.049 1.00 0.00 O ATOM 397 CB LYS A 27 -0.730 -6.357 -4.695 1.00 0.00 C ATOM 398 CG LYS A 27 -1.974 -5.741 -5.311 1.00 0.00 C ATOM 399 CD LYS A 27 -2.984 -6.804 -5.709 1.00 0.00 C ATOM 400 CE LYS A 27 -3.955 -7.103 -4.576 1.00 0.00 C ATOM 401 NZ LYS A 27 -3.464 -8.203 -3.700 1.00 0.00 N ATOM 0 H LYS A 27 2.031 -6.616 -4.443 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.014 -7.401 -6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.008 -7.274 -4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.330 -5.674 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.430 -5.052 -4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.696 -5.156 -6.188 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.538 -6.470 -6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.460 -7.717 -5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.105 -6.203 -3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.925 -7.375 -4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.264 -8.617 -3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.013 -8.937 -4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.771 -7.825 -3.023 1.00 0.00 H new ATOM 415 N GLN A 28 0.076 -5.152 -7.580 1.00 0.00 N ATOM 416 CA GLN A 28 0.352 -3.971 -8.390 1.00 0.00 C ATOM 417 C GLN A 28 -0.863 -3.051 -8.445 1.00 0.00 C ATOM 418 O GLN A 28 -1.919 -3.430 -8.953 1.00 0.00 O ATOM 419 CB GLN A 28 0.759 -4.383 -9.806 1.00 0.00 C ATOM 420 CG GLN A 28 2.070 -5.150 -9.864 1.00 0.00 C ATOM 421 CD GLN A 28 2.642 -5.225 -11.266 1.00 0.00 C ATOM 422 OE1 GLN A 28 3.251 -4.272 -11.752 1.00 0.00 O ATOM 423 NE2 GLN A 28 2.448 -6.362 -11.925 1.00 0.00 N ATOM 0 H GLN A 28 -0.671 -5.746 -7.941 1.00 0.00 H new ATOM 0 HA GLN A 28 1.175 -3.427 -7.926 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.031 -4.997 -10.238 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.843 -3.490 -10.425 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.795 -4.672 -9.205 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.912 -6.160 -9.486 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.937 -7.127 -11.483 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.810 -6.470 -12.872 1.00 0.00 H new ATOM 432 N LEU A 29 -0.707 -1.842 -7.919 1.00 0.00 N ATOM 433 CA LEU A 29 -1.792 -0.867 -7.907 1.00 0.00 C ATOM 434 C LEU A 29 -1.346 0.452 -8.531 1.00 0.00 C ATOM 435 O LEU A 29 -0.180 0.840 -8.455 1.00 0.00 O ATOM 436 CB LEU A 29 -2.275 -0.629 -6.475 1.00 0.00 C ATOM 437 CG LEU A 29 -2.553 -1.882 -5.644 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.515 -2.805 -6.375 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.255 -2.607 -5.322 1.00 0.00 C ATOM 0 H LEU A 29 0.160 -1.513 -7.495 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.614 -1.268 -8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.527 -0.031 -5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.187 -0.034 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.017 -1.577 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.701 -3.691 -5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.455 -2.283 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.079 -3.103 -7.329 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.472 -3.496 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.762 -2.900 -6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.599 -1.945 -4.756 1.00 0.00 H new ATOM 451 N PRO A 30 -2.295 1.159 -9.162 1.00 0.00 N ATOM 452 CA PRO A 30 -2.024 2.446 -9.809 1.00 0.00 C ATOM 453 C PRO A 30 -1.732 3.552 -8.800 1.00 0.00 C ATOM 454 O PRO A 30 -2.509 3.779 -7.872 1.00 0.00 O ATOM 455 CB PRO A 30 -3.321 2.742 -10.566 1.00 0.00 C ATOM 456 CG PRO A 30 -4.373 1.996 -9.822 1.00 0.00 C ATOM 457 CD PRO A 30 -3.706 0.757 -9.291 1.00 0.00 C ATOM 0 HA PRO A 30 -1.142 2.404 -10.447 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.533 3.811 -10.585 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.259 2.410 -11.602 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.779 2.599 -9.010 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.207 1.740 -10.476 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.127 0.453 -8.332 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.823 -0.086 -9.972 1.00 0.00 H new ATOM 465 N ASP A 31 -0.610 4.237 -8.988 1.00 0.00 N ATOM 466 CA ASP A 31 -0.216 5.321 -8.095 1.00 0.00 C ATOM 467 C ASP A 31 -1.372 6.292 -7.878 1.00 0.00 C ATOM 468 O ASP A 31 -1.422 6.997 -6.870 1.00 0.00 O ATOM 469 CB ASP A 31 0.992 6.066 -8.664 1.00 0.00 C ATOM 470 CG ASP A 31 0.690 6.729 -9.993 1.00 0.00 C ATOM 471 OD1 ASP A 31 -0.289 6.321 -10.651 1.00 0.00 O ATOM 472 OD2 ASP A 31 1.434 7.657 -10.376 1.00 0.00 O ATOM 0 H ASP A 31 0.044 4.061 -9.751 1.00 0.00 H new ATOM 0 HA ASP A 31 0.056 4.886 -7.133 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.318 6.822 -7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.820 5.368 -8.789 1.00 0.00 H new ATOM 477 N SER A 32 -2.298 6.325 -8.830 1.00 0.00 N ATOM 478 CA SER A 32 -3.451 7.213 -8.745 1.00 0.00 C ATOM 479 C SER A 32 -4.374 6.798 -7.603 1.00 0.00 C ATOM 480 O SER A 32 -4.988 7.641 -6.949 1.00 0.00 O ATOM 481 CB SER A 32 -4.223 7.210 -10.066 1.00 0.00 C ATOM 482 OG SER A 32 -4.947 8.416 -10.237 1.00 0.00 O ATOM 0 H SER A 32 -2.272 5.747 -9.670 1.00 0.00 H new ATOM 0 HA SER A 32 -3.087 8.221 -8.547 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.529 7.078 -10.896 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.910 6.364 -10.087 1.00 0.00 H new ATOM 0 HG SER A 32 -5.430 8.389 -11.089 1.00 0.00 H new ATOM 488 N MET A 33 -4.466 5.493 -7.369 1.00 0.00 N ATOM 489 CA MET A 33 -5.313 4.965 -6.306 1.00 0.00 C ATOM 490 C MET A 33 -5.064 5.705 -4.995 1.00 0.00 C ATOM 491 O MET A 33 -3.930 5.787 -4.522 1.00 0.00 O ATOM 492 CB MET A 33 -5.058 3.469 -6.117 1.00 0.00 C ATOM 493 CG MET A 33 -6.277 2.701 -5.633 1.00 0.00 C ATOM 494 SD MET A 33 -6.298 0.994 -6.213 1.00 0.00 S ATOM 495 CE MET A 33 -5.621 0.144 -4.789 1.00 0.00 C ATOM 0 H MET A 33 -3.964 4.782 -7.901 1.00 0.00 H new ATOM 0 HA MET A 33 -6.353 5.115 -6.596 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.723 3.044 -7.063 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.247 3.335 -5.402 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.298 2.711 -4.543 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.180 3.208 -5.974 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.889 -0.912 -4.834 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.535 0.243 -4.788 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.026 0.583 -3.877 1.00 0.00 H new ATOM 505 N THR A 34 -6.131 6.243 -4.412 1.00 0.00 N ATOM 506 CA THR A 34 -6.027 6.977 -3.157 1.00 0.00 C ATOM 507 C THR A 34 -5.729 6.038 -1.994 1.00 0.00 C ATOM 508 O THR A 34 -6.181 4.893 -1.976 1.00 0.00 O ATOM 509 CB THR A 34 -7.321 7.756 -2.854 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.460 6.913 -3.057 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.431 8.987 -3.741 1.00 0.00 C ATOM 0 H THR A 34 -7.077 6.184 -4.789 1.00 0.00 H new ATOM 0 HA THR A 34 -5.204 7.683 -3.270 1.00 0.00 H new ATOM 0 HB THR A 34 -7.289 8.078 -1.813 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.278 7.416 -2.861 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.352 9.521 -3.509 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.578 9.641 -3.563 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.442 8.682 -4.787 1.00 0.00 H new ATOM 519 N VAL A 35 -4.966 6.530 -1.023 1.00 0.00 N ATOM 520 CA VAL A 35 -4.608 5.734 0.146 1.00 0.00 C ATOM 521 C VAL A 35 -5.825 5.011 0.711 1.00 0.00 C ATOM 522 O VAL A 35 -5.720 3.884 1.195 1.00 0.00 O ATOM 523 CB VAL A 35 -3.986 6.609 1.250 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.927 5.846 2.565 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.600 7.082 0.837 1.00 0.00 C ATOM 0 H VAL A 35 -4.584 7.476 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.873 4.999 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.617 7.486 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.485 6.480 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.935 5.561 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.319 4.950 2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.175 7.699 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.957 6.219 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.673 7.668 -0.079 1.00 0.00 H new ATOM 535 N GLN A 36 -6.980 5.666 0.646 1.00 0.00 N ATOM 536 CA GLN A 36 -8.217 5.085 1.152 1.00 0.00 C ATOM 537 C GLN A 36 -8.579 3.819 0.381 1.00 0.00 C ATOM 538 O GLN A 36 -9.031 2.833 0.963 1.00 0.00 O ATOM 539 CB GLN A 36 -9.359 6.098 1.055 1.00 0.00 C ATOM 540 CG GLN A 36 -10.739 5.476 1.191 1.00 0.00 C ATOM 541 CD GLN A 36 -11.810 6.496 1.521 1.00 0.00 C ATOM 542 OE1 GLN A 36 -12.065 6.790 2.689 1.00 0.00 O ATOM 543 NE2 GLN A 36 -12.444 7.044 0.491 1.00 0.00 N ATOM 0 H GLN A 36 -7.084 6.599 0.248 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.063 4.821 2.198 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.232 6.852 1.832 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.295 6.614 0.097 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.999 4.971 0.261 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.715 4.715 1.971 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.201 6.771 -0.461 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.174 7.738 0.652 1.00 0.00 H new ATOM 552 N LYS A 37 -8.378 3.854 -0.932 1.00 0.00 N ATOM 553 CA LYS A 37 -8.681 2.710 -1.783 1.00 0.00 C ATOM 554 C LYS A 37 -7.866 1.490 -1.367 1.00 0.00 C ATOM 555 O LYS A 37 -8.401 0.389 -1.235 1.00 0.00 O ATOM 556 CB LYS A 37 -8.399 3.049 -3.248 1.00 0.00 C ATOM 557 CG LYS A 37 -9.529 3.804 -3.927 1.00 0.00 C ATOM 558 CD LYS A 37 -10.523 2.856 -4.574 1.00 0.00 C ATOM 559 CE LYS A 37 -11.182 3.485 -5.792 1.00 0.00 C ATOM 560 NZ LYS A 37 -11.810 4.795 -5.469 1.00 0.00 N ATOM 0 H LYS A 37 -8.006 4.663 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.739 2.474 -1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.489 3.646 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.210 2.126 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.043 4.427 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.118 4.473 -4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.014 1.938 -4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.287 2.578 -3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.438 3.623 -6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.939 2.807 -6.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.403 5.102 -6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.399 4.697 -4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.068 5.503 -5.297 1.00 0.00 H new ATOM 574 N VAL A 38 -6.569 1.693 -1.160 1.00 0.00 N ATOM 575 CA VAL A 38 -5.680 0.610 -0.755 1.00 0.00 C ATOM 576 C VAL A 38 -6.068 0.063 0.613 1.00 0.00 C ATOM 577 O VAL A 38 -5.967 -1.138 0.866 1.00 0.00 O ATOM 578 CB VAL A 38 -4.212 1.075 -0.713 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.296 -0.081 -0.343 1.00 0.00 C ATOM 580 CG2 VAL A 38 -3.807 1.681 -2.048 1.00 0.00 C ATOM 0 H VAL A 38 -6.110 2.598 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.782 -0.179 -1.500 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.114 1.844 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.263 0.267 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.573 -0.465 0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.394 -0.874 -1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.767 2.004 -2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.920 0.935 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.444 2.538 -2.266 1.00 0.00 H new ATOM 590 N LYS A 39 -6.514 0.951 1.495 1.00 0.00 N ATOM 591 CA LYS A 39 -6.921 0.559 2.839 1.00 0.00 C ATOM 592 C LYS A 39 -8.254 -0.182 2.810 1.00 0.00 C ATOM 593 O LYS A 39 -8.472 -1.118 3.578 1.00 0.00 O ATOM 594 CB LYS A 39 -7.029 1.790 3.742 1.00 0.00 C ATOM 595 CG LYS A 39 -5.687 2.299 4.238 1.00 0.00 C ATOM 596 CD LYS A 39 -5.794 3.714 4.782 1.00 0.00 C ATOM 597 CE LYS A 39 -4.484 4.174 5.401 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.665 5.388 6.244 1.00 0.00 N ATOM 0 H LYS A 39 -6.603 1.949 1.303 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.161 -0.112 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.532 2.588 3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.656 1.547 4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.311 1.636 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.964 2.275 3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.076 4.394 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.586 3.759 5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.067 3.370 6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.763 4.385 4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.752 5.873 6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.345 6.029 5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.025 5.111 7.180 1.00 0.00 H new ATOM 612 N GLY A 40 -9.143 0.243 1.917 1.00 0.00 N ATOM 613 CA GLY A 40 -10.443 -0.392 1.804 1.00 0.00 C ATOM 614 C GLY A 40 -10.359 -1.781 1.202 1.00 0.00 C ATOM 615 O GLY A 40 -11.181 -2.647 1.504 1.00 0.00 O ATOM 0 H GLY A 40 -8.986 1.016 1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.901 -0.454 2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.095 0.228 1.189 1.00 0.00 H new ATOM 619 N LEU A 41 -9.365 -1.994 0.348 1.00 0.00 N ATOM 620 CA LEU A 41 -9.177 -3.288 -0.300 1.00 0.00 C ATOM 621 C LEU A 41 -8.774 -4.352 0.716 1.00 0.00 C ATOM 622 O LEU A 41 -9.251 -5.487 0.664 1.00 0.00 O ATOM 623 CB LEU A 41 -8.114 -3.183 -1.395 1.00 0.00 C ATOM 624 CG LEU A 41 -7.552 -4.507 -1.914 1.00 0.00 C ATOM 625 CD1 LEU A 41 -8.374 -5.012 -3.089 1.00 0.00 C ATOM 626 CD2 LEU A 41 -6.092 -4.347 -2.311 1.00 0.00 C ATOM 0 H LEU A 41 -8.676 -1.288 0.088 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.125 -3.582 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.541 -2.638 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.287 -2.584 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.611 -5.244 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.959 -5.955 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.405 -5.166 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.348 -4.277 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.708 -5.299 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.009 -3.595 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.512 -4.032 -1.444 1.00 0.00 H new ATOM 638 N LEU A 42 -7.896 -3.979 1.639 1.00 0.00 N ATOM 639 CA LEU A 42 -7.430 -4.901 2.669 1.00 0.00 C ATOM 640 C LEU A 42 -8.401 -4.939 3.845 1.00 0.00 C ATOM 641 O LEU A 42 -8.441 -5.912 4.598 1.00 0.00 O ATOM 642 CB LEU A 42 -6.039 -4.492 3.156 1.00 0.00 C ATOM 643 CG LEU A 42 -4.904 -4.633 2.141 1.00 0.00 C ATOM 644 CD1 LEU A 42 -3.768 -3.679 2.474 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.402 -6.069 2.100 1.00 0.00 C ATOM 0 H LEU A 42 -7.492 -3.044 1.696 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.377 -5.898 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.081 -3.453 3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.792 -5.091 4.033 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.290 -4.375 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.970 -3.794 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.136 -2.653 2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.383 -3.905 3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.594 -6.152 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.033 -6.354 3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.218 -6.732 1.813 1.00 0.00 H new ATOM 657 N SER A 43 -9.185 -3.876 3.993 1.00 0.00 N ATOM 658 CA SER A 43 -10.156 -3.788 5.078 1.00 0.00 C ATOM 659 C SER A 43 -11.069 -5.010 5.090 1.00 0.00 C ATOM 660 O SER A 43 -11.336 -5.589 6.144 1.00 0.00 O ATOM 661 CB SER A 43 -10.992 -2.514 4.940 1.00 0.00 C ATOM 662 OG SER A 43 -12.227 -2.639 5.623 1.00 0.00 O ATOM 0 H SER A 43 -9.167 -3.064 3.376 1.00 0.00 H new ATOM 0 HA SER A 43 -9.609 -3.755 6.020 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.436 -1.665 5.339 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.175 -2.308 3.885 1.00 0.00 H new ATOM 0 HG SER A 43 -12.060 -2.752 6.582 1.00 0.00 H new ATOM 668 N ARG A 44 -11.544 -5.398 3.912 1.00 0.00 N ATOM 669 CA ARG A 44 -12.429 -6.550 3.786 1.00 0.00 C ATOM 670 C ARG A 44 -11.651 -7.853 3.953 1.00 0.00 C ATOM 671 O ARG A 44 -12.217 -8.884 4.318 1.00 0.00 O ATOM 672 CB ARG A 44 -13.132 -6.534 2.428 1.00 0.00 C ATOM 673 CG ARG A 44 -14.135 -5.402 2.275 1.00 0.00 C ATOM 674 CD ARG A 44 -15.488 -5.774 2.860 1.00 0.00 C ATOM 675 NE ARG A 44 -15.519 -5.616 4.312 1.00 0.00 N ATOM 676 CZ ARG A 44 -16.547 -5.981 5.069 1.00 0.00 C ATOM 677 NH1 ARG A 44 -17.624 -6.522 4.516 1.00 0.00 N ATOM 678 NH2 ARG A 44 -16.500 -5.805 6.384 1.00 0.00 N ATOM 0 H ARG A 44 -11.331 -4.932 3.030 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.178 -6.490 4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.382 -6.453 1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.645 -7.485 2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.756 -4.509 2.772 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.249 -5.156 1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.261 -5.150 2.411 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.723 -6.807 2.603 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.706 -5.203 4.769 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.665 -6.659 3.506 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.412 -6.801 5.101 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.674 -5.389 6.814 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.290 -6.086 6.965 1.00 0.00 H new ATOM 692 N LEU A 45 -10.352 -7.799 3.681 1.00 0.00 N ATOM 693 CA LEU A 45 -9.496 -8.974 3.801 1.00 0.00 C ATOM 694 C LEU A 45 -9.216 -9.297 5.265 1.00 0.00 C ATOM 695 O LEU A 45 -9.553 -10.379 5.749 1.00 0.00 O ATOM 696 CB LEU A 45 -8.179 -8.748 3.055 1.00 0.00 C ATOM 697 CG LEU A 45 -8.183 -9.094 1.566 1.00 0.00 C ATOM 698 CD1 LEU A 45 -6.922 -8.574 0.894 1.00 0.00 C ATOM 699 CD2 LEU A 45 -8.315 -10.597 1.368 1.00 0.00 C ATOM 0 H LEU A 45 -9.868 -6.954 3.376 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.018 -9.821 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.899 -7.700 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.403 -9.338 3.542 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.043 -8.610 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.942 -8.830 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.871 -7.491 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.048 -9.028 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.316 -10.825 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.476 -11.102 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.248 -10.942 1.814 1.00 0.00 H new ATOM 711 N LEU A 46 -8.599 -8.352 5.966 1.00 0.00 N ATOM 712 CA LEU A 46 -8.275 -8.535 7.377 1.00 0.00 C ATOM 713 C LEU A 46 -9.427 -8.074 8.264 1.00 0.00 C ATOM 714 O LEU A 46 -9.260 -7.884 9.469 1.00 0.00 O ATOM 715 CB LEU A 46 -7.002 -7.764 7.732 1.00 0.00 C ATOM 716 CG LEU A 46 -5.713 -8.259 7.077 1.00 0.00 C ATOM 717 CD1 LEU A 46 -4.702 -7.128 6.967 1.00 0.00 C ATOM 718 CD2 LEU A 46 -5.129 -9.424 7.862 1.00 0.00 C ATOM 0 H LEU A 46 -8.313 -7.452 5.581 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.109 -9.598 7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.146 -6.719 7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.872 -7.796 8.814 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.949 -8.607 6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.791 -7.499 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.120 -6.324 6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.470 -6.749 7.962 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.212 -9.763 7.381 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.908 -9.102 8.880 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.849 -10.242 7.889 1.00 0.00 H new ATOM 730 N LYS A 47 -10.598 -7.898 7.661 1.00 0.00 N ATOM 731 CA LYS A 47 -11.780 -7.463 8.395 1.00 0.00 C ATOM 732 C LYS A 47 -11.442 -6.313 9.338 1.00 0.00 C ATOM 733 O LYS A 47 -11.916 -6.268 10.473 1.00 0.00 O ATOM 734 CB LYS A 47 -12.370 -8.631 9.189 1.00 0.00 C ATOM 735 CG LYS A 47 -12.653 -9.860 8.343 1.00 0.00 C ATOM 736 CD LYS A 47 -11.447 -10.783 8.279 1.00 0.00 C ATOM 737 CE LYS A 47 -11.826 -12.160 7.757 1.00 0.00 C ATOM 738 NZ LYS A 47 -12.346 -13.041 8.840 1.00 0.00 N ATOM 0 H LYS A 47 -10.754 -8.050 6.664 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.517 -7.113 7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.680 -8.901 9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.296 -8.306 9.664 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.504 -10.400 8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.931 -9.553 7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.686 -10.345 7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.007 -10.878 9.272 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.582 -12.058 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.955 -12.626 7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.593 -13.970 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.616 -13.160 9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.192 -12.609 9.263 1.00 0.00 H new ATOM 752 N VAL A 48 -10.619 -5.384 8.861 1.00 0.00 N ATOM 753 CA VAL A 48 -10.220 -4.233 9.660 1.00 0.00 C ATOM 754 C VAL A 48 -10.789 -2.941 9.085 1.00 0.00 C ATOM 755 O VAL A 48 -10.810 -2.727 7.873 1.00 0.00 O ATOM 756 CB VAL A 48 -8.687 -4.112 9.745 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.291 -2.868 10.526 1.00 0.00 C ATOM 758 CG2 VAL A 48 -8.088 -5.361 10.375 1.00 0.00 C ATOM 0 H VAL A 48 -10.216 -5.407 7.924 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.621 -4.390 10.662 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.291 -4.017 8.734 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.204 -2.800 10.575 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.688 -1.984 10.027 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.697 -2.928 11.536 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.004 -5.258 10.427 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.489 -5.490 11.380 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.341 -6.231 9.769 1.00 0.00 H new ATOM 768 N PRO A 49 -11.264 -2.056 9.975 1.00 0.00 N ATOM 769 CA PRO A 49 -11.842 -0.768 9.580 1.00 0.00 C ATOM 770 C PRO A 49 -10.793 0.195 9.034 1.00 0.00 C ATOM 771 O PRO A 49 -9.771 0.443 9.673 1.00 0.00 O ATOM 772 CB PRO A 49 -12.435 -0.230 10.884 1.00 0.00 C ATOM 773 CG PRO A 49 -11.638 -0.883 11.960 1.00 0.00 C ATOM 774 CD PRO A 49 -11.272 -2.244 11.435 1.00 0.00 C ATOM 0 HA PRO A 49 -12.572 -0.878 8.778 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.356 0.856 10.936 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.493 -0.477 10.969 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.746 -0.301 12.193 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.216 -0.962 12.881 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.299 -2.568 11.804 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.996 -3.000 11.739 1.00 0.00 H new ATOM 782 N VAL A 50 -11.053 0.736 7.848 1.00 0.00 N ATOM 783 CA VAL A 50 -10.132 1.674 7.216 1.00 0.00 C ATOM 784 C VAL A 50 -9.727 2.781 8.183 1.00 0.00 C ATOM 785 O VAL A 50 -8.673 3.398 8.029 1.00 0.00 O ATOM 786 CB VAL A 50 -10.752 2.308 5.957 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.972 3.546 5.543 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.805 1.296 4.822 1.00 0.00 C ATOM 0 H VAL A 50 -11.894 0.541 7.305 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.248 1.105 6.928 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.772 2.612 6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.425 3.980 4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.992 4.276 6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.940 3.270 5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.246 1.761 3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.795 0.959 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.412 0.442 5.124 1.00 0.00 H new ATOM 798 N SER A 51 -10.571 3.027 9.179 1.00 0.00 N ATOM 799 CA SER A 51 -10.303 4.063 10.170 1.00 0.00 C ATOM 800 C SER A 51 -9.114 3.681 11.047 1.00 0.00 C ATOM 801 O SER A 51 -8.228 4.497 11.299 1.00 0.00 O ATOM 802 CB SER A 51 -11.538 4.298 11.041 1.00 0.00 C ATOM 803 OG SER A 51 -11.366 5.430 11.876 1.00 0.00 O ATOM 0 H SER A 51 -11.446 2.523 9.322 1.00 0.00 H new ATOM 0 HA SER A 51 -10.061 4.984 9.640 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.413 4.440 10.406 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.728 3.416 11.653 1.00 0.00 H new ATOM 0 HG SER A 51 -12.170 5.559 12.421 1.00 0.00 H new ATOM 809 N GLU A 52 -9.103 2.434 11.508 1.00 0.00 N ATOM 810 CA GLU A 52 -8.024 1.944 12.358 1.00 0.00 C ATOM 811 C GLU A 52 -6.802 1.572 11.524 1.00 0.00 C ATOM 812 O GLU A 52 -5.665 1.676 11.986 1.00 0.00 O ATOM 813 CB GLU A 52 -8.492 0.732 13.166 1.00 0.00 C ATOM 814 CG GLU A 52 -9.673 1.027 14.076 1.00 0.00 C ATOM 815 CD GLU A 52 -9.379 2.129 15.076 1.00 0.00 C ATOM 816 OE1 GLU A 52 -8.584 1.886 16.008 1.00 0.00 O ATOM 817 OE2 GLU A 52 -9.942 3.232 14.925 1.00 0.00 O ATOM 0 H GLU A 52 -9.828 1.745 11.307 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.745 2.743 13.045 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.765 -0.069 12.479 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.662 0.365 13.769 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.532 1.312 13.469 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.949 0.119 14.612 1.00 0.00 H new ATOM 824 N LEU A 53 -7.044 1.137 10.292 1.00 0.00 N ATOM 825 CA LEU A 53 -5.963 0.748 9.392 1.00 0.00 C ATOM 826 C LEU A 53 -4.925 1.860 9.275 1.00 0.00 C ATOM 827 O LEU A 53 -5.251 3.042 9.389 1.00 0.00 O ATOM 828 CB LEU A 53 -6.522 0.409 8.009 1.00 0.00 C ATOM 829 CG LEU A 53 -7.029 -1.021 7.822 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.761 -1.159 6.497 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.875 -2.010 7.901 1.00 0.00 C ATOM 0 H LEU A 53 -7.978 1.045 9.893 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.477 -0.135 9.807 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.341 1.095 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.744 0.597 7.269 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.730 -1.245 8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.115 -2.184 6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.611 -0.477 6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.083 -0.915 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.254 -3.023 7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.150 -1.786 7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.393 -1.930 8.875 1.00 0.00 H new ATOM 843 N LEU A 54 -3.675 1.473 9.045 1.00 0.00 N ATOM 844 CA LEU A 54 -2.589 2.437 8.910 1.00 0.00 C ATOM 845 C LEU A 54 -1.577 1.974 7.866 1.00 0.00 C ATOM 846 O LEU A 54 -0.854 0.999 8.076 1.00 0.00 O ATOM 847 CB LEU A 54 -1.892 2.642 10.256 1.00 0.00 C ATOM 848 CG LEU A 54 -2.697 3.388 11.321 1.00 0.00 C ATOM 849 CD1 LEU A 54 -2.028 3.261 12.681 1.00 0.00 C ATOM 850 CD2 LEU A 54 -2.859 4.852 10.939 1.00 0.00 C ATOM 0 H LEU A 54 -3.389 0.499 8.948 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.016 3.384 8.581 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.619 1.665 10.654 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.964 3.187 10.083 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.688 2.938 11.382 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.615 3.798 13.427 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.964 2.209 12.958 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.025 3.685 12.634 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.434 5.367 11.708 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.877 5.315 10.849 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.382 4.923 9.986 1.00 0.00 H new ATOM 862 N LEU A 55 -1.529 2.680 6.742 1.00 0.00 N ATOM 863 CA LEU A 55 -0.604 2.344 5.666 1.00 0.00 C ATOM 864 C LEU A 55 0.686 3.149 5.784 1.00 0.00 C ATOM 865 O LEU A 55 0.655 4.366 5.966 1.00 0.00 O ATOM 866 CB LEU A 55 -1.257 2.601 4.306 1.00 0.00 C ATOM 867 CG LEU A 55 -1.928 1.397 3.645 1.00 0.00 C ATOM 868 CD1 LEU A 55 -0.906 0.310 3.353 1.00 0.00 C ATOM 869 CD2 LEU A 55 -3.045 0.859 4.526 1.00 0.00 C ATOM 0 H LEU A 55 -2.120 3.489 6.552 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.358 1.285 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.003 3.387 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.496 2.986 3.627 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.363 1.721 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.402 -0.539 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.141 0.701 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.441 -0.012 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.511 0.002 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.634 0.551 5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.791 1.638 4.683 1.00 0.00 H new ATOM 881 N SER A 56 1.819 2.462 5.678 1.00 0.00 N ATOM 882 CA SER A 56 3.120 3.113 5.775 1.00 0.00 C ATOM 883 C SER A 56 4.108 2.504 4.786 1.00 0.00 C ATOM 884 O SER A 56 4.441 1.321 4.873 1.00 0.00 O ATOM 885 CB SER A 56 3.668 2.995 7.199 1.00 0.00 C ATOM 886 OG SER A 56 3.418 1.708 7.736 1.00 0.00 O ATOM 0 H SER A 56 1.862 1.454 5.525 1.00 0.00 H new ATOM 0 HA SER A 56 2.990 4.167 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.740 3.190 7.197 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.208 3.753 7.833 1.00 0.00 H new ATOM 0 HG SER A 56 3.779 1.657 8.646 1.00 0.00 H new ATOM 892 N TYR A 57 4.572 3.318 3.845 1.00 0.00 N ATOM 893 CA TYR A 57 5.520 2.860 2.836 1.00 0.00 C ATOM 894 C TYR A 57 6.951 3.198 3.241 1.00 0.00 C ATOM 895 O TYR A 57 7.203 4.225 3.871 1.00 0.00 O ATOM 896 CB TYR A 57 5.198 3.491 1.480 1.00 0.00 C ATOM 897 CG TYR A 57 5.907 4.805 1.241 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.478 5.971 1.862 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.004 4.880 0.392 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.122 7.174 1.646 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.655 6.079 0.171 1.00 0.00 C ATOM 902 CZ TYR A 57 7.210 7.223 0.800 1.00 0.00 C ATOM 903 OH TYR A 57 7.855 8.419 0.581 1.00 0.00 O ATOM 0 H TYR A 57 4.307 4.299 3.760 1.00 0.00 H new ATOM 0 HA TYR A 57 5.431 1.777 2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.470 2.792 0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.122 3.650 1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.626 5.937 2.525 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.354 3.987 -0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.775 8.071 2.137 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.508 6.120 -0.491 1.00 0.00 H new ATOM 0 HH TYR A 57 7.434 8.885 -0.171 1.00 0.00 H new ATOM 913 N GLU A 58 7.885 2.327 2.872 1.00 0.00 N ATOM 914 CA GLU A 58 9.292 2.532 3.196 1.00 0.00 C ATOM 915 C GLU A 58 10.079 2.957 1.960 1.00 0.00 C ATOM 916 O GLU A 58 10.259 2.175 1.027 1.00 0.00 O ATOM 917 CB GLU A 58 9.895 1.255 3.784 1.00 0.00 C ATOM 918 CG GLU A 58 11.301 1.440 4.328 1.00 0.00 C ATOM 919 CD GLU A 58 12.102 0.152 4.327 1.00 0.00 C ATOM 920 OE1 GLU A 58 11.775 -0.751 5.125 1.00 0.00 O ATOM 921 OE2 GLU A 58 13.055 0.047 3.527 1.00 0.00 O ATOM 0 H GLU A 58 7.693 1.473 2.349 1.00 0.00 H new ATOM 0 HA GLU A 58 9.355 3.329 3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.249 0.894 4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.911 0.483 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.822 2.188 3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.245 1.828 5.345 1.00 0.00 H new ATOM 928 N SER A 59 10.544 4.202 1.960 1.00 0.00 N ATOM 929 CA SER A 59 11.307 4.734 0.837 1.00 0.00 C ATOM 930 C SER A 59 12.628 3.987 0.677 1.00 0.00 C ATOM 931 O SER A 59 13.460 3.972 1.585 1.00 0.00 O ATOM 932 CB SER A 59 11.573 6.227 1.035 1.00 0.00 C ATOM 933 OG SER A 59 10.384 6.915 1.386 1.00 0.00 O ATOM 0 H SER A 59 10.406 4.862 2.726 1.00 0.00 H new ATOM 0 HA SER A 59 10.718 4.595 -0.070 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.321 6.366 1.815 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.985 6.651 0.119 1.00 0.00 H new ATOM 0 HG SER A 59 9.624 6.519 0.910 1.00 0.00 H new ATOM 939 N SER A 60 12.814 3.369 -0.485 1.00 0.00 N ATOM 940 CA SER A 60 14.032 2.617 -0.764 1.00 0.00 C ATOM 941 C SER A 60 15.269 3.436 -0.412 1.00 0.00 C ATOM 942 O SER A 60 16.045 3.064 0.469 1.00 0.00 O ATOM 943 CB SER A 60 14.078 2.209 -2.238 1.00 0.00 C ATOM 944 OG SER A 60 15.068 1.221 -2.463 1.00 0.00 O ATOM 0 H SER A 60 12.137 3.374 -1.248 1.00 0.00 H new ATOM 0 HA SER A 60 14.025 1.719 -0.146 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.104 1.828 -2.544 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.286 3.084 -2.854 1.00 0.00 H new ATOM 0 HG SER A 60 15.076 0.976 -3.412 1.00 0.00 H new ATOM 950 N LYS A 61 15.447 4.555 -1.106 1.00 0.00 N ATOM 951 CA LYS A 61 16.589 5.430 -0.868 1.00 0.00 C ATOM 952 C LYS A 61 16.911 5.511 0.620 1.00 0.00 C ATOM 953 O LYS A 61 18.076 5.462 1.016 1.00 0.00 O ATOM 954 CB LYS A 61 16.307 6.831 -1.417 1.00 0.00 C ATOM 955 CG LYS A 61 15.556 6.827 -2.737 1.00 0.00 C ATOM 956 CD LYS A 61 14.052 6.888 -2.523 1.00 0.00 C ATOM 957 CE LYS A 61 13.553 8.324 -2.482 1.00 0.00 C ATOM 958 NZ LYS A 61 13.872 8.986 -1.186 1.00 0.00 N ATOM 0 H LYS A 61 14.815 4.878 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 61 17.451 5.010 -1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 61 15.729 7.391 -0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 61 17.252 7.358 -1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.873 7.678 -3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.809 5.927 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.547 6.349 -3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.795 6.386 -1.590 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.003 8.888 -3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.475 8.338 -2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.164 9.722 -0.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.859 8.280 -0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.816 9.419 -1.241 1.00 0.00 H new ATOM 972 N MET A 62 15.873 5.635 1.440 1.00 0.00 N ATOM 973 CA MET A 62 16.047 5.720 2.886 1.00 0.00 C ATOM 974 C MET A 62 15.401 4.526 3.582 1.00 0.00 C ATOM 975 O MET A 62 14.256 4.584 4.031 1.00 0.00 O ATOM 976 CB MET A 62 15.445 7.022 3.418 1.00 0.00 C ATOM 977 CG MET A 62 16.038 7.467 4.745 1.00 0.00 C ATOM 978 SD MET A 62 17.699 8.145 4.572 1.00 0.00 S ATOM 979 CE MET A 62 18.336 7.908 6.229 1.00 0.00 C ATOM 0 H MET A 62 14.903 5.679 1.129 1.00 0.00 H new ATOM 0 HA MET A 62 17.116 5.708 3.100 1.00 0.00 H new ATOM 0 HB2 MET A 62 15.594 7.810 2.680 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.369 6.894 3.535 1.00 0.00 H new ATOM 0 HG2 MET A 62 15.389 8.218 5.195 1.00 0.00 H new ATOM 0 HG3 MET A 62 16.066 6.619 5.429 1.00 0.00 H new ATOM 0 HE1 MET A 62 19.359 8.280 6.282 1.00 0.00 H new ATOM 0 HE2 MET A 62 17.715 8.453 6.939 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.322 6.846 6.476 1.00 0.00 H new ATOM 989 N PRO A 63 16.150 3.417 3.675 1.00 0.00 N ATOM 990 CA PRO A 63 15.670 2.189 4.315 1.00 0.00 C ATOM 991 C PRO A 63 15.531 2.340 5.827 1.00 0.00 C ATOM 992 O PRO A 63 16.371 2.959 6.478 1.00 0.00 O ATOM 993 CB PRO A 63 16.757 1.165 3.978 1.00 0.00 C ATOM 994 CG PRO A 63 17.986 1.977 3.757 1.00 0.00 C ATOM 995 CD PRO A 63 17.523 3.277 3.162 1.00 0.00 C ATOM 0 HA PRO A 63 14.677 1.908 3.964 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.895 0.452 4.791 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.497 0.590 3.089 1.00 0.00 H new ATOM 0 HG2 PRO A 63 18.517 2.144 4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.676 1.465 3.087 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.155 4.109 3.473 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.544 3.250 2.073 1.00 0.00 H new ATOM 1003 N GLY A 64 14.465 1.769 6.378 1.00 0.00 N ATOM 1004 CA GLY A 64 14.236 1.851 7.809 1.00 0.00 C ATOM 1005 C GLY A 64 13.306 2.988 8.183 1.00 0.00 C ATOM 1006 O GLY A 64 12.560 2.893 9.158 1.00 0.00 O ATOM 0 H GLY A 64 13.756 1.251 5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.814 0.910 8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.190 1.983 8.320 1.00 0.00 H new ATOM 1010 N ARG A 65 13.350 4.066 7.408 1.00 0.00 N ATOM 1011 CA ARG A 65 12.507 5.228 7.665 1.00 0.00 C ATOM 1012 C ARG A 65 11.185 5.117 6.911 1.00 0.00 C ATOM 1013 O ARG A 65 11.089 5.508 5.748 1.00 0.00 O ATOM 1014 CB ARG A 65 13.233 6.511 7.258 1.00 0.00 C ATOM 1015 CG ARG A 65 12.440 7.776 7.547 1.00 0.00 C ATOM 1016 CD ARG A 65 13.231 9.024 7.184 1.00 0.00 C ATOM 1017 NE ARG A 65 14.053 9.494 8.296 1.00 0.00 N ATOM 1018 CZ ARG A 65 14.534 10.728 8.383 1.00 0.00 C ATOM 1019 NH1 ARG A 65 14.278 11.613 7.429 1.00 0.00 N ATOM 1020 NH2 ARG A 65 15.274 11.081 9.427 1.00 0.00 N ATOM 0 H ARG A 65 13.961 4.159 6.596 1.00 0.00 H new ATOM 0 HA ARG A 65 12.294 5.263 8.733 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.186 6.562 7.784 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.458 6.469 6.192 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.507 7.759 6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.174 7.807 8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.869 8.812 6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.543 9.814 6.882 1.00 0.00 H new ATOM 0 HE ARG A 65 14.269 8.838 9.047 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.710 11.346 6.625 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.649 12.560 7.499 1.00 0.00 H new ATOM 0 HH21 ARG A 65 15.473 10.404 10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.643 12.030 9.493 1.00 0.00 H new ATOM 1034 N GLU A 66 10.170 4.581 7.581 1.00 0.00 N ATOM 1035 CA GLU A 66 8.855 4.418 6.973 1.00 0.00 C ATOM 1036 C GLU A 66 8.032 5.697 7.105 1.00 0.00 C ATOM 1037 O GLU A 66 8.174 6.441 8.076 1.00 0.00 O ATOM 1038 CB GLU A 66 8.110 3.250 7.622 1.00 0.00 C ATOM 1039 CG GLU A 66 7.848 3.444 9.107 1.00 0.00 C ATOM 1040 CD GLU A 66 7.737 2.130 9.856 1.00 0.00 C ATOM 1041 OE1 GLU A 66 8.388 1.151 9.437 1.00 0.00 O ATOM 1042 OE2 GLU A 66 6.999 2.083 10.862 1.00 0.00 O ATOM 0 H GLU A 66 10.233 4.252 8.545 1.00 0.00 H new ATOM 0 HA GLU A 66 8.997 4.205 5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.159 3.107 7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.689 2.337 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.653 4.038 9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.927 4.012 9.239 1.00 0.00 H new ATOM 1049 N ILE A 67 7.173 5.944 6.123 1.00 0.00 N ATOM 1050 CA ILE A 67 6.328 7.132 6.129 1.00 0.00 C ATOM 1051 C ILE A 67 4.884 6.777 6.470 1.00 0.00 C ATOM 1052 O ILE A 67 4.212 6.076 5.715 1.00 0.00 O ATOM 1053 CB ILE A 67 6.359 7.853 4.768 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.759 8.406 4.492 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.326 8.969 4.736 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.690 7.401 3.851 1.00 0.00 C ATOM 0 H ILE A 67 7.043 5.338 5.313 1.00 0.00 H new ATOM 0 HA ILE A 67 6.727 7.799 6.893 1.00 0.00 H new ATOM 0 HB ILE A 67 6.112 7.135 3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.675 9.277 3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.197 8.748 5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.360 9.469 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.332 8.550 4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.544 9.689 5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.664 7.862 3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.804 6.539 4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.274 7.077 2.897 1.00 0.00 H new ATOM 1068 N GLU A 68 4.414 7.268 7.613 1.00 0.00 N ATOM 1069 CA GLU A 68 3.050 7.003 8.053 1.00 0.00 C ATOM 1070 C GLU A 68 2.057 7.897 7.315 1.00 0.00 C ATOM 1071 O GLU A 68 1.926 9.083 7.620 1.00 0.00 O ATOM 1072 CB GLU A 68 2.926 7.222 9.562 1.00 0.00 C ATOM 1073 CG GLU A 68 3.595 6.139 10.392 1.00 0.00 C ATOM 1074 CD GLU A 68 2.928 5.940 11.739 1.00 0.00 C ATOM 1075 OE1 GLU A 68 1.885 5.253 11.788 1.00 0.00 O ATOM 1076 OE2 GLU A 68 3.447 6.471 12.743 1.00 0.00 O ATOM 0 H GLU A 68 4.958 7.851 8.250 1.00 0.00 H new ATOM 0 HA GLU A 68 2.817 5.963 7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.364 8.187 9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.870 7.271 9.828 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.576 5.200 9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.643 6.399 10.544 1.00 0.00 H new ATOM 1083 N LEU A 69 1.359 7.319 6.344 1.00 0.00 N ATOM 1084 CA LEU A 69 0.378 8.062 5.560 1.00 0.00 C ATOM 1085 C LEU A 69 -0.832 8.431 6.413 1.00 0.00 C ATOM 1086 O LEU A 69 -1.626 7.569 6.787 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.069 7.238 4.351 1.00 0.00 C ATOM 1088 CG LEU A 69 1.043 6.539 3.568 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.460 5.487 2.638 1.00 0.00 C ATOM 1090 CD2 LEU A 69 1.861 7.554 2.783 1.00 0.00 C ATOM 0 H LEU A 69 1.454 6.338 6.080 1.00 0.00 H new ATOM 0 HA LEU A 69 0.849 8.981 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.776 6.482 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.609 7.894 3.669 1.00 0.00 H new ATOM 0 HG LEU A 69 1.704 6.041 4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.266 5.000 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.081 4.744 3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.223 5.962 1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.648 7.039 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.212 8.081 2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.309 8.270 3.471 1.00 0.00 H new ATOM 1102 N GLU A 70 -0.966 9.719 6.715 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.080 10.202 7.522 1.00 0.00 C ATOM 1104 C GLU A 70 -3.202 10.738 6.636 1.00 0.00 C ATOM 1105 O GLU A 70 -4.339 10.888 7.079 1.00 0.00 O ATOM 1106 CB GLU A 70 -1.607 11.296 8.482 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.836 12.413 7.800 1.00 0.00 C ATOM 1108 CD GLU A 70 -0.547 13.575 8.731 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -1.492 14.325 9.054 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.624 13.734 9.135 1.00 0.00 O ATOM 0 H GLU A 70 -0.317 10.446 6.413 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.466 9.363 8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.473 11.721 8.990 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.976 10.847 9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.104 12.018 7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.406 12.772 6.943 1.00 0.00 H new ATOM 1117 N ASN A 71 -2.870 11.026 5.381 1.00 0.00 N ATOM 1118 CA ASN A 71 -3.848 11.547 4.433 1.00 0.00 C ATOM 1119 C ASN A 71 -4.443 10.421 3.592 1.00 0.00 C ATOM 1120 O ASN A 71 -3.720 9.693 2.912 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.200 12.592 3.523 1.00 0.00 C ATOM 1122 CG ASN A 71 -4.186 13.650 3.065 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -5.328 13.211 2.550 1.00 0.00 O flip ATOM 1124 ND2 ASN A 71 -3.922 14.848 3.173 1.00 0.00 N flip ATOM 0 H ASN A 71 -1.932 10.907 4.998 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.652 12.017 4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.377 13.071 4.053 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.772 12.096 2.652 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.031 15.140 3.575 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.594 15.549 2.860 1.00 0.00 H new ATOM 1131 N ASP A 72 -5.763 10.286 3.642 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.455 9.251 2.883 1.00 0.00 C ATOM 1133 C ASP A 72 -6.926 9.788 1.535 1.00 0.00 C ATOM 1134 O ASP A 72 -7.008 9.048 0.555 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.649 8.718 3.678 1.00 0.00 C ATOM 1136 CG ASP A 72 -7.225 7.980 4.933 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -6.536 6.946 4.809 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -7.582 8.437 6.039 1.00 0.00 O ATOM 0 H ASP A 72 -6.376 10.880 4.200 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.753 8.436 2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.300 9.548 3.951 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.233 8.049 3.046 1.00 0.00 H new ATOM 1143 N LEU A 73 -7.234 11.080 1.494 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.697 11.717 0.266 1.00 0.00 C ATOM 1145 C LEU A 73 -6.519 12.138 -0.607 1.00 0.00 C ATOM 1146 O LEU A 73 -6.579 13.157 -1.295 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.564 12.933 0.595 1.00 0.00 C ATOM 1148 CG LEU A 73 -9.932 12.635 1.210 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -10.659 13.928 1.546 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.767 11.782 0.266 1.00 0.00 C ATOM 0 H LEU A 73 -7.171 11.706 2.296 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.294 10.992 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.011 13.573 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.716 13.504 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.780 12.077 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.630 13.696 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.068 14.503 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.800 14.513 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.737 11.580 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.910 12.314 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.252 10.840 0.075 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.452 11.347 -0.574 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.261 11.639 -1.363 1.00 0.00 C ATOM 1164 C GLN A 74 -3.706 10.369 -2.000 1.00 0.00 C ATOM 1165 O GLN A 74 -3.662 9.304 -1.383 1.00 0.00 O ATOM 1166 CB GLN A 74 -3.191 12.295 -0.488 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.606 13.647 0.068 1.00 0.00 C ATOM 1168 CD GLN A 74 -3.566 14.745 -0.976 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -2.734 14.725 -1.883 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -4.468 15.712 -0.853 1.00 0.00 N ATOM 0 H GLN A 74 -5.388 10.500 -0.010 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.543 12.330 -2.158 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.952 11.628 0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.279 12.416 -1.073 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.615 13.574 0.475 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.948 13.913 0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.139 15.689 -0.085 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.490 16.478 -1.526 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.271 10.482 -3.264 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.710 9.352 -4.011 1.00 0.00 C ATOM 1181 C PRO A 75 -1.348 8.922 -3.477 1.00 0.00 C ATOM 1182 O PRO A 75 -0.699 9.662 -2.736 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.578 9.900 -5.435 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.460 11.375 -5.264 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.292 11.720 -4.060 1.00 0.00 C ATOM 0 HA PRO A 75 -3.337 8.463 -3.937 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.703 9.489 -5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.446 9.640 -6.041 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.421 11.669 -5.117 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.818 11.900 -6.149 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.870 12.560 -3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.307 12.000 -4.340 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.920 7.724 -3.858 1.00 0.00 N ATOM 1194 CA LEU A 76 0.366 7.195 -3.418 1.00 0.00 C ATOM 1195 C LEU A 76 1.514 8.059 -3.930 1.00 0.00 C ATOM 1196 O LEU A 76 2.521 8.239 -3.246 1.00 0.00 O ATOM 1197 CB LEU A 76 0.541 5.755 -3.902 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.270 4.694 -3.158 1.00 0.00 C ATOM 1199 CD1 LEU A 76 0.008 4.759 -1.664 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.756 4.868 -3.434 1.00 0.00 C ATOM 0 H LEU A 76 -1.445 7.100 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 76 0.383 7.209 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.275 5.713 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.597 5.494 -3.829 1.00 0.00 H new ATOM 0 HG LEU A 76 0.034 3.712 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.578 3.996 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.069 4.584 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.267 5.743 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.318 4.104 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.075 5.855 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.941 4.769 -4.504 1.00 0.00 H new ATOM 1212 N GLN A 77 1.353 8.593 -5.137 1.00 0.00 N ATOM 1213 CA GLN A 77 2.376 9.439 -5.740 1.00 0.00 C ATOM 1214 C GLN A 77 2.610 10.692 -4.902 1.00 0.00 C ATOM 1215 O GLN A 77 3.686 11.288 -4.945 1.00 0.00 O ATOM 1216 CB GLN A 77 1.971 9.831 -7.162 1.00 0.00 C ATOM 1217 CG GLN A 77 0.786 10.782 -7.216 1.00 0.00 C ATOM 1218 CD GLN A 77 0.710 11.544 -8.525 1.00 0.00 C ATOM 1219 OE1 GLN A 77 -0.182 11.312 -9.341 1.00 0.00 O ATOM 1220 NE2 GLN A 77 1.648 12.462 -8.732 1.00 0.00 N ATOM 0 H GLN A 77 0.525 8.455 -5.716 1.00 0.00 H new ATOM 0 HA GLN A 77 3.305 8.870 -5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.823 10.296 -7.658 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.728 8.929 -7.724 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.135 10.217 -7.075 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.855 11.491 -6.391 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.369 12.622 -8.029 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.647 13.007 -9.594 1.00 0.00 H new ATOM 1229 N PHE A 78 1.595 11.086 -4.140 1.00 0.00 N ATOM 1230 CA PHE A 78 1.689 12.269 -3.292 1.00 0.00 C ATOM 1231 C PHE A 78 2.771 12.093 -2.231 1.00 0.00 C ATOM 1232 O PHE A 78 3.366 13.066 -1.769 1.00 0.00 O ATOM 1233 CB PHE A 78 0.343 12.550 -2.622 1.00 0.00 C ATOM 1234 CG PHE A 78 0.349 13.778 -1.757 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.212 15.038 -2.318 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.492 13.673 -0.383 1.00 0.00 C ATOM 1237 CE1 PHE A 78 0.218 16.169 -1.525 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.499 14.801 0.416 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.361 16.051 -0.156 1.00 0.00 C ATOM 0 H PHE A 78 0.698 10.603 -4.092 1.00 0.00 H new ATOM 0 HA PHE A 78 1.957 13.117 -3.922 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.421 12.661 -3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.061 11.689 -2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.099 15.137 -3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.599 12.698 0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.111 17.145 -1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.612 14.705 1.486 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.365 16.934 0.466 1.00 0.00 H new ATOM 1249 N TYR A 79 3.021 10.845 -1.851 1.00 0.00 N ATOM 1250 CA TYR A 79 4.029 10.540 -0.842 1.00 0.00 C ATOM 1251 C TYR A 79 5.345 10.130 -1.495 1.00 0.00 C ATOM 1252 O TYR A 79 6.204 9.520 -0.857 1.00 0.00 O ATOM 1253 CB TYR A 79 3.535 9.426 0.082 1.00 0.00 C ATOM 1254 CG TYR A 79 2.431 9.860 1.018 1.00 0.00 C ATOM 1255 CD1 TYR A 79 1.100 9.824 0.618 1.00 0.00 C ATOM 1256 CD2 TYR A 79 2.717 10.307 2.302 1.00 0.00 C ATOM 1257 CE1 TYR A 79 0.087 10.221 1.470 1.00 0.00 C ATOM 1258 CE2 TYR A 79 1.710 10.704 3.161 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.397 10.660 2.740 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.608 11.056 3.592 1.00 0.00 O ATOM 0 H TYR A 79 2.540 10.028 -2.226 1.00 0.00 H new ATOM 0 HA TYR A 79 4.202 11.441 -0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.179 8.594 -0.525 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.374 9.055 0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.854 9.480 -0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.744 10.345 2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.942 10.188 1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 79 1.950 11.047 4.157 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.320 11.848 4.092 1.00 0.00 H new ATOM 1270 N SER A 80 5.497 10.470 -2.771 1.00 0.00 N ATOM 1271 CA SER A 80 6.707 10.135 -3.512 1.00 0.00 C ATOM 1272 C SER A 80 6.902 8.623 -3.579 1.00 0.00 C ATOM 1273 O SER A 80 8.031 8.132 -3.613 1.00 0.00 O ATOM 1274 CB SER A 80 7.927 10.790 -2.862 1.00 0.00 C ATOM 1275 OG SER A 80 8.130 12.100 -3.362 1.00 0.00 O ATOM 0 H SER A 80 4.797 10.977 -3.313 1.00 0.00 H new ATOM 0 HA SER A 80 6.598 10.515 -4.528 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.791 10.827 -1.781 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.813 10.184 -3.051 1.00 0.00 H new ATOM 0 HG SER A 80 8.915 12.497 -2.929 1.00 0.00 H new ATOM 1281 N VAL A 81 5.794 7.890 -3.598 1.00 0.00 N ATOM 1282 CA VAL A 81 5.841 6.434 -3.661 1.00 0.00 C ATOM 1283 C VAL A 81 6.070 5.954 -5.090 1.00 0.00 C ATOM 1284 O VAL A 81 5.314 6.295 -5.999 1.00 0.00 O ATOM 1285 CB VAL A 81 4.542 5.806 -3.123 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.533 4.305 -3.367 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.375 6.115 -1.642 1.00 0.00 C ATOM 0 H VAL A 81 4.852 8.281 -3.571 1.00 0.00 H new ATOM 0 HA VAL A 81 6.675 6.117 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 81 3.699 6.242 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.607 3.879 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.603 4.110 -4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.383 3.849 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.452 5.664 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.221 5.708 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.332 7.195 -1.498 1.00 0.00 H new ATOM 1297 N GLU A 82 7.118 5.158 -5.280 1.00 0.00 N ATOM 1298 CA GLU A 82 7.447 4.631 -6.599 1.00 0.00 C ATOM 1299 C GLU A 82 7.593 3.113 -6.558 1.00 0.00 C ATOM 1300 O GLU A 82 7.851 2.533 -5.504 1.00 0.00 O ATOM 1301 CB GLU A 82 8.739 5.265 -7.119 1.00 0.00 C ATOM 1302 CG GLU A 82 9.945 5.004 -6.232 1.00 0.00 C ATOM 1303 CD GLU A 82 11.259 5.160 -6.973 1.00 0.00 C ATOM 1304 OE1 GLU A 82 11.527 6.269 -7.479 1.00 0.00 O ATOM 1305 OE2 GLU A 82 12.019 4.172 -7.046 1.00 0.00 O ATOM 0 H GLU A 82 7.753 4.864 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 82 6.630 4.882 -7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.944 4.883 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.594 6.341 -7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.925 5.692 -5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.880 3.995 -5.824 1.00 0.00 H new ATOM 1312 N ASN A 83 7.427 2.476 -7.712 1.00 0.00 N ATOM 1313 CA ASN A 83 7.539 1.025 -7.808 1.00 0.00 C ATOM 1314 C ASN A 83 8.811 0.532 -7.125 1.00 0.00 C ATOM 1315 O ASN A 83 9.859 1.172 -7.203 1.00 0.00 O ATOM 1316 CB ASN A 83 7.532 0.588 -9.274 1.00 0.00 C ATOM 1317 CG ASN A 83 8.320 -0.688 -9.501 1.00 0.00 C ATOM 1318 OD1 ASN A 83 8.125 -1.683 -8.804 1.00 0.00 O ATOM 1319 ND2 ASN A 83 9.217 -0.663 -10.481 1.00 0.00 N ATOM 0 H ASN A 83 7.214 2.942 -8.594 1.00 0.00 H new ATOM 0 HA ASN A 83 6.681 0.585 -7.301 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.503 0.439 -9.601 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.950 1.384 -9.890 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.778 -1.491 -10.681 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.345 0.185 -11.034 1.00 0.00 H new ATOM 1326 N GLY A 84 8.712 -0.613 -6.456 1.00 0.00 N ATOM 1327 CA GLY A 84 9.861 -1.173 -5.769 1.00 0.00 C ATOM 1328 C GLY A 84 9.800 -0.962 -4.270 1.00 0.00 C ATOM 1329 O GLY A 84 10.482 -1.651 -3.511 1.00 0.00 O ATOM 0 H GLY A 84 7.856 -1.163 -6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.922 -2.241 -5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.771 -0.718 -6.160 1.00 0.00 H new ATOM 1333 N ASP A 85 8.983 -0.006 -3.841 1.00 0.00 N ATOM 1334 CA ASP A 85 8.837 0.295 -2.422 1.00 0.00 C ATOM 1335 C ASP A 85 8.090 -0.824 -1.703 1.00 0.00 C ATOM 1336 O ASP A 85 7.515 -1.708 -2.339 1.00 0.00 O ATOM 1337 CB ASP A 85 8.097 1.621 -2.234 1.00 0.00 C ATOM 1338 CG ASP A 85 7.304 1.663 -0.943 1.00 0.00 C ATOM 1339 OD1 ASP A 85 7.923 1.824 0.130 1.00 0.00 O ATOM 1340 OD2 ASP A 85 6.063 1.535 -1.004 1.00 0.00 O ATOM 0 H ASP A 85 8.412 0.574 -4.456 1.00 0.00 H new ATOM 0 HA ASP A 85 9.834 0.379 -1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.817 2.440 -2.242 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.424 1.781 -3.076 1.00 0.00 H new ATOM 1345 N CYS A 86 8.105 -0.781 -0.376 1.00 0.00 N ATOM 1346 CA CYS A 86 7.431 -1.793 0.430 1.00 0.00 C ATOM 1347 C CYS A 86 6.249 -1.191 1.182 1.00 0.00 C ATOM 1348 O CYS A 86 6.362 -0.122 1.784 1.00 0.00 O ATOM 1349 CB CYS A 86 8.413 -2.424 1.419 1.00 0.00 C ATOM 1350 SG CYS A 86 9.671 -3.467 0.646 1.00 0.00 S ATOM 0 H CYS A 86 8.576 -0.056 0.165 1.00 0.00 H new ATOM 0 HA CYS A 86 7.055 -2.566 -0.241 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.908 -1.631 1.979 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.854 -3.021 2.139 1.00 0.00 H new ATOM 0 HG CYS A 86 10.455 -3.953 1.562 1.00 0.00 H new ATOM 1356 N LEU A 87 5.116 -1.882 1.143 1.00 0.00 N ATOM 1357 CA LEU A 87 3.911 -1.415 1.820 1.00 0.00 C ATOM 1358 C LEU A 87 3.757 -2.084 3.182 1.00 0.00 C ATOM 1359 O LEU A 87 3.730 -3.312 3.283 1.00 0.00 O ATOM 1360 CB LEU A 87 2.677 -1.694 0.959 1.00 0.00 C ATOM 1361 CG LEU A 87 2.639 -1.001 -0.403 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.461 -1.502 -1.224 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.568 0.510 -0.231 1.00 0.00 C ATOM 0 H LEU A 87 5.006 -2.768 0.650 1.00 0.00 H new ATOM 0 HA LEU A 87 4.004 -0.340 1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.606 -2.770 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.792 -1.396 1.521 1.00 0.00 H new ATOM 0 HG LEU A 87 3.557 -1.243 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.450 -0.998 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.555 -2.577 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.532 -1.291 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.542 0.987 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.667 0.771 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.445 0.855 0.317 1.00 0.00 H new ATOM 1375 N LEU A 88 3.653 -1.271 4.227 1.00 0.00 N ATOM 1376 CA LEU A 88 3.498 -1.785 5.584 1.00 0.00 C ATOM 1377 C LEU A 88 2.085 -1.538 6.102 1.00 0.00 C ATOM 1378 O LEU A 88 1.717 -0.406 6.418 1.00 0.00 O ATOM 1379 CB LEU A 88 4.518 -1.130 6.517 1.00 0.00 C ATOM 1380 CG LEU A 88 5.981 -1.223 6.084 1.00 0.00 C ATOM 1381 CD1 LEU A 88 6.769 -0.031 6.605 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.599 -2.526 6.568 1.00 0.00 C ATOM 0 H LEU A 88 3.673 -0.253 4.161 1.00 0.00 H new ATOM 0 HA LEU A 88 3.673 -2.861 5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.258 -0.077 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.422 -1.584 7.503 1.00 0.00 H new ATOM 0 HG LEU A 88 6.019 -1.209 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.808 -0.115 6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.341 0.890 6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.723 -0.013 7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.641 -2.575 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.549 -2.570 7.656 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.051 -3.368 6.145 1.00 0.00 H new ATOM 1394 N VAL A 89 1.297 -2.605 6.189 1.00 0.00 N ATOM 1395 CA VAL A 89 -0.075 -2.504 6.672 1.00 0.00 C ATOM 1396 C VAL A 89 -0.141 -2.699 8.183 1.00 0.00 C ATOM 1397 O VAL A 89 0.321 -3.712 8.709 1.00 0.00 O ATOM 1398 CB VAL A 89 -0.987 -3.542 5.992 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.398 -3.464 6.554 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -0.993 -3.339 4.484 1.00 0.00 C ATOM 0 H VAL A 89 1.585 -3.549 5.931 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.426 -1.503 6.421 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.594 -4.537 6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.027 -4.205 6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.374 -3.663 7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.805 -2.468 6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.642 -4.081 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.361 -2.339 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.020 -3.451 4.098 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.718 -1.722 8.875 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.844 -1.785 10.326 1.00 0.00 C ATOM 1412 C ARG A 90 -2.236 -1.348 10.771 1.00 0.00 C ATOM 1413 O ARG A 90 -3.054 -0.924 9.954 1.00 0.00 O ATOM 1414 CB ARG A 90 0.216 -0.904 10.990 1.00 0.00 C ATOM 1415 CG ARG A 90 1.505 -1.640 11.314 1.00 0.00 C ATOM 1416 CD ARG A 90 2.692 -0.691 11.360 1.00 0.00 C ATOM 1417 NE ARG A 90 2.889 -0.124 12.691 1.00 0.00 N ATOM 1418 CZ ARG A 90 3.737 0.865 12.951 1.00 0.00 C ATOM 1419 NH1 ARG A 90 4.462 1.395 11.975 1.00 0.00 N ATOM 1420 NH2 ARG A 90 3.859 1.328 14.188 1.00 0.00 N ATOM 0 H ARG A 90 -1.106 -0.878 8.454 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.692 -2.819 10.634 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.442 -0.065 10.332 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.195 -0.487 11.909 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.405 -2.146 12.274 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.683 -2.411 10.565 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.593 -1.223 11.056 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.540 0.115 10.642 1.00 0.00 H new ATOM 0 HE ARG A 90 2.346 -0.508 13.464 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.369 1.043 11.022 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.112 2.154 12.177 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.301 0.925 14.941 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.510 2.087 14.386 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.498 -1.455 12.068 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.792 -1.071 12.621 1.00 0.00 C ATOM 1436 C TRP A 91 -3.788 -1.177 14.142 1.00 0.00 C ATOM 1437 O TRP A 91 -3.003 -1.930 14.718 1.00 0.00 O ATOM 1438 CB TRP A 91 -4.900 -1.951 12.039 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.812 -3.382 12.476 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.256 -3.908 13.655 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.243 -4.470 11.738 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -4.998 -5.257 13.695 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.378 -5.626 12.531 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.635 -4.580 10.485 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -3.925 -6.874 12.110 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.187 -5.818 10.068 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.334 -6.952 10.878 1.00 0.00 C ATOM 0 H TRP A 91 -1.832 -1.804 12.757 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.981 -0.033 12.349 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.868 -1.547 12.335 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.855 -1.907 10.951 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.739 -3.346 14.441 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -5.231 -5.882 14.467 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.517 -3.712 9.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -4.036 -7.749 12.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.715 -5.914 9.101 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -2.974 -7.906 10.523 1.00 0.00 H new