USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 535 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 16 CYS SG : rot 98:sc= 0.787 USER MOD Set 1.2: A 19 CYS SG : rot -148:sc= -0.553 USER MOD Single : A 1 TYR N :NH3+ 149:sc= 0.0268 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-0.34) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -89:sc= 0.683 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00794 K(o=-0.0079,f=-0.6) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -68:sc= 0.517 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0233 K(o=-0.023,f=-1.4!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.0646 X(o=-0.065,f=-0.39) USER MOD Single : A 35 GLN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0895 K(o=-0.089,f=-1.1) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -179:sc= -0.896 (180deg=-0.897) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.67! C(o=-1.7!,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ -109:sc= -0.499 (180deg=-3.97!) USER MOD Single : A 64 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.75) USER MOD Single : A 66 HIS : no HD1:sc= -0.782 K(o=-0.78,f=-0.042) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 2.508 22.014 0.279 1.00 0.00 N ATOM 2 CA TYR A 1 2.600 20.710 -0.427 1.00 0.00 C ATOM 3 C TYR A 1 3.096 19.610 0.505 1.00 0.00 C ATOM 4 O TYR A 1 3.760 19.882 1.505 1.00 0.00 O ATOM 5 CB TYR A 1 3.556 20.864 -1.612 1.00 0.00 C ATOM 6 CG TYR A 1 2.858 20.909 -2.953 1.00 0.00 C ATOM 7 CD1 TYR A 1 1.736 21.704 -3.147 1.00 0.00 C ATOM 8 CD2 TYR A 1 3.323 20.158 -4.024 1.00 0.00 C ATOM 9 CE1 TYR A 1 1.096 21.749 -4.371 1.00 0.00 C ATOM 10 CE2 TYR A 1 2.689 20.196 -5.251 1.00 0.00 C ATOM 11 CZ TYR A 1 1.576 20.993 -5.420 1.00 0.00 C ATOM 12 OH TYR A 1 0.942 21.034 -6.640 1.00 0.00 O ATOM 0 H1 TYR A 1 2.690 22.786 -0.393 1.00 0.00 H new ATOM 0 H2 TYR A 1 1.556 22.124 0.683 1.00 0.00 H new ATOM 0 H3 TYR A 1 3.214 22.046 1.042 1.00 0.00 H new ATOM 0 HA TYR A 1 1.608 20.423 -0.776 1.00 0.00 H new ATOM 0 HB2 TYR A 1 4.136 21.778 -1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 1 4.263 20.034 -1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 1 1.357 22.297 -2.328 1.00 0.00 H new ATOM 0 HD2 TYR A 1 4.195 19.534 -3.896 1.00 0.00 H new ATOM 0 HE1 TYR A 1 0.225 22.373 -4.505 1.00 0.00 H new ATOM 0 HE2 TYR A 1 3.063 19.605 -6.074 1.00 0.00 H new ATOM 0 HH TYR A 1 1.407 20.445 -7.270 1.00 0.00 H new ATOM 24 N HIS A 2 2.769 18.367 0.169 1.00 0.00 N ATOM 25 CA HIS A 2 3.180 17.223 0.974 1.00 0.00 C ATOM 26 C HIS A 2 4.373 16.514 0.342 1.00 0.00 C ATOM 27 O HIS A 2 4.795 16.853 -0.763 1.00 0.00 O ATOM 28 CB HIS A 2 2.016 16.243 1.133 1.00 0.00 C ATOM 29 CG HIS A 2 0.800 16.855 1.757 1.00 0.00 C ATOM 30 ND1 HIS A 2 -0.074 16.147 2.556 1.00 0.00 N ATOM 31 CD2 HIS A 2 0.313 18.118 1.697 1.00 0.00 C ATOM 32 CE1 HIS A 2 -1.046 16.947 2.959 1.00 0.00 C ATOM 33 NE2 HIS A 2 -0.834 18.147 2.453 1.00 0.00 N ATOM 0 H HIS A 2 2.220 18.126 -0.656 1.00 0.00 H new ATOM 0 HA HIS A 2 3.477 17.589 1.957 1.00 0.00 H new ATOM 0 HB2 HIS A 2 1.751 15.845 0.154 1.00 0.00 H new ATOM 0 HB3 HIS A 2 2.342 15.400 1.742 1.00 0.00 H new ATOM 0 HD2 HIS A 2 0.745 18.947 1.156 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -1.873 16.666 3.594 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -1.426 18.964 2.599 1.00 0.00 H new ATOM 42 N ALA A 3 4.915 15.530 1.053 1.00 0.00 N ATOM 43 CA ALA A 3 6.062 14.775 0.563 1.00 0.00 C ATOM 44 C ALA A 3 5.702 13.983 -0.690 1.00 0.00 C ATOM 45 O ALA A 3 4.537 13.654 -0.914 1.00 0.00 O ATOM 46 CB ALA A 3 6.584 13.845 1.647 1.00 0.00 C ATOM 0 H ALA A 3 4.578 15.237 1.970 1.00 0.00 H new ATOM 0 HA ALA A 3 6.847 15.484 0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.440 13.288 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.888 14.431 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 3 5.798 13.148 1.938 1.00 0.00 H new ATOM 52 N ASP A 4 6.709 13.682 -1.504 1.00 0.00 N ATOM 53 CA ASP A 4 6.495 12.929 -2.734 1.00 0.00 C ATOM 54 C ASP A 4 6.408 11.431 -2.448 1.00 0.00 C ATOM 55 O ASP A 4 5.468 10.763 -2.880 1.00 0.00 O ATOM 56 CB ASP A 4 7.621 13.206 -3.732 1.00 0.00 C ATOM 57 CG ASP A 4 7.172 14.085 -4.883 1.00 0.00 C ATOM 58 OD1 ASP A 4 6.232 14.883 -4.689 1.00 0.00 O ATOM 59 OD2 ASP A 4 7.762 13.976 -5.979 1.00 0.00 O ATOM 0 H ASP A 4 7.679 13.948 -1.334 1.00 0.00 H new ATOM 0 HA ASP A 4 5.549 13.253 -3.168 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.451 13.686 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.995 12.261 -4.125 1.00 0.00 H new ATOM 64 N PRO A 5 7.383 10.884 -1.701 1.00 0.00 N ATOM 65 CA PRO A 5 7.421 9.460 -1.359 1.00 0.00 C ATOM 66 C PRO A 5 6.406 9.098 -0.279 1.00 0.00 C ATOM 67 O PRO A 5 6.765 8.547 0.763 1.00 0.00 O ATOM 68 CB PRO A 5 8.853 9.242 -0.841 1.00 0.00 C ATOM 69 CG PRO A 5 9.584 10.519 -1.106 1.00 0.00 C ATOM 70 CD PRO A 5 8.541 11.596 -1.150 1.00 0.00 C ATOM 0 HA PRO A 5 7.168 8.834 -2.215 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.852 9.006 0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.330 8.406 -1.352 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.316 10.718 -0.324 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.130 10.467 -2.048 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.335 12.004 -0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.844 12.431 -1.782 1.00 0.00 H new ATOM 78 N SER A 6 5.139 9.414 -0.527 1.00 0.00 N ATOM 79 CA SER A 6 4.078 9.120 0.430 1.00 0.00 C ATOM 80 C SER A 6 3.560 7.697 0.254 1.00 0.00 C ATOM 81 O SER A 6 3.157 7.050 1.219 1.00 0.00 O ATOM 82 CB SER A 6 2.929 10.117 0.271 1.00 0.00 C ATOM 83 OG SER A 6 1.834 9.771 1.100 1.00 0.00 O ATOM 0 H SER A 6 4.822 9.873 -1.381 1.00 0.00 H new ATOM 0 HA SER A 6 4.495 9.212 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.276 11.119 0.522 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.607 10.142 -0.770 1.00 0.00 H new ATOM 0 HG SER A 6 1.114 10.425 0.981 1.00 0.00 H new ATOM 89 N LEU A 7 3.571 7.216 -0.986 1.00 0.00 N ATOM 90 CA LEU A 7 3.094 5.871 -1.284 1.00 0.00 C ATOM 91 C LEU A 7 4.087 4.816 -0.805 1.00 0.00 C ATOM 92 O LEU A 7 3.783 4.022 0.085 1.00 0.00 O ATOM 93 CB LEU A 7 2.856 5.708 -2.790 1.00 0.00 C ATOM 94 CG LEU A 7 1.778 4.686 -3.178 1.00 0.00 C ATOM 95 CD1 LEU A 7 1.911 4.299 -4.638 1.00 0.00 C ATOM 96 CD2 LEU A 7 1.863 3.448 -2.293 1.00 0.00 C ATOM 0 H LEU A 7 3.904 7.736 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 7 2.153 5.728 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.580 6.678 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.795 5.417 -3.260 1.00 0.00 H new ATOM 0 HG LEU A 7 0.803 5.149 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.138 3.574 -4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.797 5.186 -5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.893 3.858 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.090 2.738 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.843 2.985 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.717 3.735 -1.252 1.00 0.00 H new ATOM 108 N VAL A 8 5.269 4.805 -1.412 1.00 0.00 N ATOM 109 CA VAL A 8 6.306 3.835 -1.071 1.00 0.00 C ATOM 110 C VAL A 8 6.444 3.663 0.441 1.00 0.00 C ATOM 111 O VAL A 8 6.679 2.558 0.930 1.00 0.00 O ATOM 112 CB VAL A 8 7.669 4.245 -1.656 1.00 0.00 C ATOM 113 CG1 VAL A 8 7.699 4.003 -3.158 1.00 0.00 C ATOM 114 CG2 VAL A 8 7.971 5.703 -1.338 1.00 0.00 C ATOM 0 H VAL A 8 5.535 5.461 -2.147 1.00 0.00 H new ATOM 0 HA VAL A 8 5.997 2.885 -1.507 1.00 0.00 H new ATOM 0 HB VAL A 8 8.442 3.629 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.670 4.299 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.531 2.945 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.917 4.592 -3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.939 5.974 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.196 6.337 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.994 5.842 -0.257 1.00 0.00 H new ATOM 124 N SER A 9 6.292 4.761 1.175 1.00 0.00 N ATOM 125 CA SER A 9 6.404 4.727 2.629 1.00 0.00 C ATOM 126 C SER A 9 5.345 3.815 3.239 1.00 0.00 C ATOM 127 O SER A 9 5.564 3.211 4.290 1.00 0.00 O ATOM 128 CB SER A 9 6.269 6.138 3.204 1.00 0.00 C ATOM 129 OG SER A 9 5.487 6.963 2.357 1.00 0.00 O ATOM 0 H SER A 9 6.091 5.683 0.788 1.00 0.00 H new ATOM 0 HA SER A 9 7.387 4.329 2.882 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.811 6.089 4.192 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.258 6.578 3.332 1.00 0.00 H new ATOM 0 HG SER A 9 6.067 7.397 1.696 1.00 0.00 H new ATOM 135 N PHE A 10 4.197 3.719 2.578 1.00 0.00 N ATOM 136 CA PHE A 10 3.103 2.887 3.066 1.00 0.00 C ATOM 137 C PHE A 10 3.115 1.512 2.408 1.00 0.00 C ATOM 138 O PHE A 10 2.997 0.491 3.085 1.00 0.00 O ATOM 139 CB PHE A 10 1.759 3.574 2.813 1.00 0.00 C ATOM 140 CG PHE A 10 1.208 4.281 4.017 1.00 0.00 C ATOM 141 CD1 PHE A 10 0.657 3.563 5.066 1.00 0.00 C ATOM 142 CD2 PHE A 10 1.241 5.664 4.099 1.00 0.00 C ATOM 143 CE1 PHE A 10 0.148 4.213 6.176 1.00 0.00 C ATOM 144 CE2 PHE A 10 0.733 6.318 5.206 1.00 0.00 C ATOM 145 CZ PHE A 10 0.187 5.592 6.245 1.00 0.00 C ATOM 0 H PHE A 10 4.000 4.206 1.704 1.00 0.00 H new ATOM 0 HA PHE A 10 3.241 2.752 4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.875 4.293 2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.037 2.829 2.478 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.625 2.485 5.017 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.668 6.237 3.289 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.279 3.643 6.988 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.763 7.396 5.258 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.209 6.101 7.111 1.00 0.00 H new ATOM 155 N LEU A 11 3.258 1.490 1.086 1.00 0.00 N ATOM 156 CA LEU A 11 3.279 0.234 0.343 1.00 0.00 C ATOM 157 C LEU A 11 4.237 -0.762 0.982 1.00 0.00 C ATOM 158 O LEU A 11 3.854 -1.884 1.314 1.00 0.00 O ATOM 159 CB LEU A 11 3.678 0.484 -1.113 1.00 0.00 C ATOM 160 CG LEU A 11 3.268 -0.614 -2.097 1.00 0.00 C ATOM 161 CD1 LEU A 11 4.170 -1.830 -1.946 1.00 0.00 C ATOM 162 CD2 LEU A 11 1.811 -0.999 -1.891 1.00 0.00 C ATOM 0 H LEU A 11 3.361 2.325 0.509 1.00 0.00 H new ATOM 0 HA LEU A 11 2.275 -0.190 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.235 1.425 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.760 0.607 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 11 3.380 -0.228 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.864 -2.600 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.203 -1.544 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.091 -2.218 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.538 -1.781 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.672 -1.366 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.178 -0.126 -2.052 1.00 0.00 H new ATOM 174 N THR A 12 5.479 -0.340 1.163 1.00 0.00 N ATOM 175 CA THR A 12 6.485 -1.184 1.789 1.00 0.00 C ATOM 176 C THR A 12 6.312 -1.177 3.302 1.00 0.00 C ATOM 177 O THR A 12 6.357 -2.226 3.948 1.00 0.00 O ATOM 178 CB THR A 12 7.889 -0.704 1.423 1.00 0.00 C ATOM 179 OG1 THR A 12 8.063 -0.688 0.017 1.00 0.00 O ATOM 180 CG2 THR A 12 8.987 -1.560 2.014 1.00 0.00 C ATOM 0 H THR A 12 5.815 0.582 0.885 1.00 0.00 H new ATOM 0 HA THR A 12 6.356 -2.202 1.422 1.00 0.00 H new ATOM 0 HB THR A 12 7.970 0.299 1.841 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.967 -0.376 -0.197 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.958 -1.164 1.715 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.910 -1.551 3.101 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.885 -2.583 1.652 1.00 0.00 H new ATOM 188 N GLY A 13 6.093 0.013 3.856 1.00 0.00 N ATOM 189 CA GLY A 13 5.901 0.144 5.287 1.00 0.00 C ATOM 190 C GLY A 13 4.868 -0.827 5.818 1.00 0.00 C ATOM 191 O GLY A 13 4.931 -1.240 6.976 1.00 0.00 O ATOM 0 H GLY A 13 6.045 0.889 3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.850 -0.024 5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.591 1.163 5.518 1.00 0.00 H new ATOM 195 N LEU A 14 3.916 -1.197 4.968 1.00 0.00 N ATOM 196 CA LEU A 14 2.884 -2.143 5.348 1.00 0.00 C ATOM 197 C LEU A 14 3.500 -3.440 5.865 1.00 0.00 C ATOM 198 O LEU A 14 2.860 -4.201 6.591 1.00 0.00 O ATOM 199 CB LEU A 14 1.992 -2.440 4.140 1.00 0.00 C ATOM 200 CG LEU A 14 0.474 -2.428 4.390 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.133 -2.779 5.833 1.00 0.00 C ATOM 202 CD2 LEU A 14 -0.109 -1.075 4.015 1.00 0.00 C ATOM 0 H LEU A 14 3.841 -0.853 4.011 1.00 0.00 H new ATOM 0 HA LEU A 14 2.287 -1.704 6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.216 -1.710 3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.265 -3.419 3.746 1.00 0.00 H new ATOM 0 HG LEU A 14 0.028 -3.195 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.949 -2.759 5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.509 -3.776 6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.595 -2.053 6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.184 -1.079 4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.358 -0.297 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.080 -0.877 2.960 1.00 0.00 H new ATOM 214 N GLY A 15 4.749 -3.688 5.479 1.00 0.00 N ATOM 215 CA GLY A 15 5.428 -4.901 5.890 1.00 0.00 C ATOM 216 C GLY A 15 5.722 -5.815 4.717 1.00 0.00 C ATOM 217 O GLY A 15 5.924 -7.017 4.892 1.00 0.00 O ATOM 0 H GLY A 15 5.302 -3.068 4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.361 -4.642 6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.813 -5.431 6.617 1.00 0.00 H new ATOM 221 N CYS A 16 5.737 -5.242 3.515 1.00 0.00 N ATOM 222 CA CYS A 16 6.003 -6.011 2.305 1.00 0.00 C ATOM 223 C CYS A 16 6.990 -5.277 1.400 1.00 0.00 C ATOM 224 O CYS A 16 6.590 -4.591 0.460 1.00 0.00 O ATOM 225 CB CYS A 16 4.700 -6.273 1.547 1.00 0.00 C ATOM 226 SG CYS A 16 3.559 -4.870 1.534 1.00 0.00 S ATOM 0 H CYS A 16 5.568 -4.249 3.355 1.00 0.00 H new ATOM 0 HA CYS A 16 6.444 -6.963 2.599 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.939 -6.543 0.518 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.198 -7.131 1.994 1.00 0.00 H new ATOM 0 HG CYS A 16 3.686 -4.218 0.417 1.00 0.00 H new ATOM 232 N PRO A 17 8.300 -5.425 1.667 1.00 0.00 N ATOM 233 CA PRO A 17 9.345 -4.764 0.890 1.00 0.00 C ATOM 234 C PRO A 17 9.778 -5.568 -0.334 1.00 0.00 C ATOM 235 O PRO A 17 10.875 -5.369 -0.858 1.00 0.00 O ATOM 236 CB PRO A 17 10.486 -4.666 1.896 1.00 0.00 C ATOM 237 CG PRO A 17 10.337 -5.880 2.753 1.00 0.00 C ATOM 238 CD PRO A 17 8.864 -6.217 2.777 1.00 0.00 C ATOM 0 HA PRO A 17 9.014 -3.809 0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.455 -4.650 1.397 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.416 -3.753 2.487 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.917 -6.711 2.352 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.707 -5.690 3.761 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.696 -7.284 2.632 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.408 -5.949 3.730 1.00 0.00 H new ATOM 246 N ASN A 18 8.917 -6.473 -0.788 1.00 0.00 N ATOM 247 CA ASN A 18 9.222 -7.297 -1.952 1.00 0.00 C ATOM 248 C ASN A 18 8.008 -7.437 -2.869 1.00 0.00 C ATOM 249 O ASN A 18 7.962 -8.328 -3.717 1.00 0.00 O ATOM 250 CB ASN A 18 9.698 -8.681 -1.510 1.00 0.00 C ATOM 251 CG ASN A 18 11.117 -8.661 -0.978 1.00 0.00 C ATOM 252 OD1 ASN A 18 11.992 -7.996 -1.534 1.00 0.00 O ATOM 253 ND2 ASN A 18 11.352 -9.390 0.106 1.00 0.00 N ATOM 0 H ASN A 18 8.005 -6.654 -0.369 1.00 0.00 H new ATOM 0 HA ASN A 18 10.016 -6.802 -2.511 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.029 -9.063 -0.739 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.639 -9.369 -2.353 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.288 -9.414 0.511 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.597 -9.926 0.534 1.00 0.00 H new ATOM 260 N CYS A 19 7.029 -6.551 -2.703 1.00 0.00 N ATOM 261 CA CYS A 19 5.824 -6.586 -3.524 1.00 0.00 C ATOM 262 C CYS A 19 5.706 -5.331 -4.385 1.00 0.00 C ATOM 263 O CYS A 19 5.094 -5.356 -5.451 1.00 0.00 O ATOM 264 CB CYS A 19 4.583 -6.731 -2.638 1.00 0.00 C ATOM 265 SG CYS A 19 4.201 -5.262 -1.656 1.00 0.00 S ATOM 0 H CYS A 19 7.047 -5.803 -2.010 1.00 0.00 H new ATOM 0 HA CYS A 19 5.894 -7.449 -4.187 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.725 -6.967 -3.268 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.727 -7.577 -1.966 1.00 0.00 H new ATOM 0 HG CYS A 19 3.653 -5.621 -0.533 1.00 0.00 H new ATOM 271 N ILE A 20 6.298 -4.238 -3.915 1.00 0.00 N ATOM 272 CA ILE A 20 6.263 -2.975 -4.643 1.00 0.00 C ATOM 273 C ILE A 20 6.648 -3.170 -6.106 1.00 0.00 C ATOM 274 O ILE A 20 6.027 -2.599 -7.002 1.00 0.00 O ATOM 275 CB ILE A 20 7.210 -1.941 -4.011 1.00 0.00 C ATOM 276 CG1 ILE A 20 7.110 -0.603 -4.747 1.00 0.00 C ATOM 277 CG2 ILE A 20 8.639 -2.459 -4.032 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.831 0.571 -3.833 1.00 0.00 C ATOM 0 H ILE A 20 6.808 -4.202 -3.032 1.00 0.00 H new ATOM 0 HA ILE A 20 5.239 -2.606 -4.587 1.00 0.00 H new ATOM 0 HB ILE A 20 6.914 -1.782 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.042 -0.422 -5.283 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.319 -0.667 -5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.301 -1.719 -3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.697 -3.389 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.945 -2.641 -5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.773 1.486 -4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.885 0.413 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.634 0.661 -3.101 1.00 0.00 H new ATOM 290 N GLU A 21 7.674 -3.979 -6.340 1.00 0.00 N ATOM 291 CA GLU A 21 8.140 -4.252 -7.694 1.00 0.00 C ATOM 292 C GLU A 21 7.007 -4.789 -8.560 1.00 0.00 C ATOM 293 O GLU A 21 6.859 -4.400 -9.718 1.00 0.00 O ATOM 294 CB GLU A 21 9.294 -5.254 -7.664 1.00 0.00 C ATOM 295 CG GLU A 21 9.008 -6.485 -6.819 1.00 0.00 C ATOM 296 CD GLU A 21 10.172 -6.862 -5.924 1.00 0.00 C ATOM 297 OE1 GLU A 21 10.233 -6.356 -4.784 1.00 0.00 O ATOM 298 OE2 GLU A 21 11.024 -7.662 -6.365 1.00 0.00 O ATOM 0 H GLU A 21 8.200 -4.458 -5.609 1.00 0.00 H new ATOM 0 HA GLU A 21 8.492 -3.316 -8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.519 -5.567 -8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.185 -4.758 -7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.126 -6.302 -6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.772 -7.324 -7.474 1.00 0.00 H new ATOM 305 N TYR A 22 6.210 -5.686 -7.990 1.00 0.00 N ATOM 306 CA TYR A 22 5.084 -6.272 -8.708 1.00 0.00 C ATOM 307 C TYR A 22 3.946 -5.267 -8.835 1.00 0.00 C ATOM 308 O TYR A 22 3.189 -5.287 -9.806 1.00 0.00 O ATOM 309 CB TYR A 22 4.592 -7.530 -7.990 1.00 0.00 C ATOM 310 CG TYR A 22 5.668 -8.572 -7.788 1.00 0.00 C ATOM 311 CD1 TYR A 22 6.573 -8.469 -6.738 1.00 0.00 C ATOM 312 CD2 TYR A 22 5.780 -9.659 -8.646 1.00 0.00 C ATOM 313 CE1 TYR A 22 7.558 -9.419 -6.550 1.00 0.00 C ATOM 314 CE2 TYR A 22 6.763 -10.614 -8.464 1.00 0.00 C ATOM 315 CZ TYR A 22 7.650 -10.489 -7.415 1.00 0.00 C ATOM 316 OH TYR A 22 8.630 -11.437 -7.231 1.00 0.00 O ATOM 0 H TYR A 22 6.323 -6.023 -7.034 1.00 0.00 H new ATOM 0 HA TYR A 22 5.422 -6.544 -9.708 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.184 -7.248 -7.019 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.776 -7.969 -8.563 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.505 -7.633 -6.058 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.088 -9.760 -9.469 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.253 -9.324 -5.729 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.836 -11.453 -9.140 1.00 0.00 H new ATOM 0 HH TYR A 22 8.555 -12.124 -7.926 1.00 0.00 H new ATOM 326 N PHE A 23 3.838 -4.382 -7.850 1.00 0.00 N ATOM 327 CA PHE A 23 2.800 -3.360 -7.850 1.00 0.00 C ATOM 328 C PHE A 23 3.152 -2.232 -8.815 1.00 0.00 C ATOM 329 O PHE A 23 2.351 -1.861 -9.671 1.00 0.00 O ATOM 330 CB PHE A 23 2.610 -2.800 -6.438 1.00 0.00 C ATOM 331 CG PHE A 23 1.741 -3.655 -5.563 1.00 0.00 C ATOM 332 CD1 PHE A 23 0.364 -3.661 -5.725 1.00 0.00 C ATOM 333 CD2 PHE A 23 2.299 -4.453 -4.576 1.00 0.00 C ATOM 334 CE1 PHE A 23 -0.439 -4.446 -4.919 1.00 0.00 C ATOM 335 CE2 PHE A 23 1.501 -5.240 -3.768 1.00 0.00 C ATOM 336 CZ PHE A 23 0.131 -5.236 -3.940 1.00 0.00 C ATOM 0 H PHE A 23 4.458 -4.353 -7.041 1.00 0.00 H new ATOM 0 HA PHE A 23 1.868 -3.819 -8.180 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.586 -2.687 -5.967 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.173 -1.804 -6.507 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.086 -3.045 -6.490 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.370 -4.460 -4.437 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.510 -4.442 -5.055 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.948 -5.857 -3.003 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.495 -5.850 -3.309 1.00 0.00 H new ATOM 346 N THR A 24 4.361 -1.698 -8.673 1.00 0.00 N ATOM 347 CA THR A 24 4.824 -0.614 -9.532 1.00 0.00 C ATOM 348 C THR A 24 4.615 -0.951 -11.004 1.00 0.00 C ATOM 349 O THR A 24 4.455 -0.060 -11.839 1.00 0.00 O ATOM 350 CB THR A 24 6.304 -0.327 -9.271 1.00 0.00 C ATOM 351 OG1 THR A 24 7.078 -1.502 -9.446 1.00 0.00 O ATOM 352 CG2 THR A 24 6.578 0.200 -7.880 1.00 0.00 C ATOM 0 H THR A 24 5.038 -1.998 -7.971 1.00 0.00 H new ATOM 0 HA THR A 24 4.238 0.274 -9.296 1.00 0.00 H new ATOM 0 HB THR A 24 6.581 0.442 -9.992 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.867 -2.142 -8.735 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.646 0.382 -7.764 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.033 1.132 -7.730 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.252 -0.533 -7.142 1.00 0.00 H new ATOM 360 N SER A 25 4.621 -2.242 -11.318 1.00 0.00 N ATOM 361 CA SER A 25 4.445 -2.699 -12.691 1.00 0.00 C ATOM 362 C SER A 25 3.182 -2.109 -13.315 1.00 0.00 C ATOM 363 O SER A 25 3.077 -2.002 -14.537 1.00 0.00 O ATOM 364 CB SER A 25 4.380 -4.227 -12.735 1.00 0.00 C ATOM 365 OG SER A 25 4.688 -4.715 -14.029 1.00 0.00 O ATOM 0 H SER A 25 4.746 -2.992 -10.638 1.00 0.00 H new ATOM 0 HA SER A 25 5.303 -2.356 -13.269 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.079 -4.645 -12.010 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.383 -4.560 -12.445 1.00 0.00 H new ATOM 0 HG SER A 25 4.641 -5.694 -14.029 1.00 0.00 H new ATOM 371 N GLN A 26 2.226 -1.732 -12.473 1.00 0.00 N ATOM 372 CA GLN A 26 0.967 -1.168 -12.951 1.00 0.00 C ATOM 373 C GLN A 26 0.934 0.343 -12.754 1.00 0.00 C ATOM 374 O GLN A 26 0.418 1.080 -13.595 1.00 0.00 O ATOM 375 CB GLN A 26 -0.224 -1.806 -12.226 1.00 0.00 C ATOM 376 CG GLN A 26 0.035 -3.221 -11.725 1.00 0.00 C ATOM 377 CD GLN A 26 -0.005 -4.251 -12.837 1.00 0.00 C ATOM 378 OE1 GLN A 26 -0.630 -4.037 -13.875 1.00 0.00 O ATOM 379 NE2 GLN A 26 0.661 -5.378 -12.620 1.00 0.00 N ATOM 0 H GLN A 26 2.298 -1.806 -11.458 1.00 0.00 H new ATOM 0 HA GLN A 26 0.894 -1.385 -14.017 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.499 -1.177 -11.379 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.080 -1.823 -12.901 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.009 -3.257 -11.237 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.709 -3.477 -10.971 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.165 -5.512 -11.744 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.669 -6.111 -13.330 1.00 0.00 H new ATOM 388 N GLY A 27 1.474 0.797 -11.629 1.00 0.00 N ATOM 389 CA GLY A 27 1.479 2.216 -11.322 1.00 0.00 C ATOM 390 C GLY A 27 1.186 2.478 -9.863 1.00 0.00 C ATOM 391 O GLY A 27 0.371 3.338 -9.529 1.00 0.00 O ATOM 0 H GLY A 27 1.910 0.206 -10.921 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.450 2.640 -11.579 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.737 2.723 -11.938 1.00 0.00 H new ATOM 395 N LEU A 28 1.860 1.739 -8.992 1.00 0.00 N ATOM 396 CA LEU A 28 1.670 1.890 -7.559 1.00 0.00 C ATOM 397 C LEU A 28 2.773 2.751 -6.959 1.00 0.00 C ATOM 398 O LEU A 28 3.335 2.432 -5.912 1.00 0.00 O ATOM 399 CB LEU A 28 1.624 0.521 -6.879 1.00 0.00 C ATOM 400 CG LEU A 28 0.238 0.095 -6.390 1.00 0.00 C ATOM 401 CD1 LEU A 28 -0.164 0.901 -5.164 1.00 0.00 C ATOM 402 CD2 LEU A 28 -0.791 0.264 -7.497 1.00 0.00 C ATOM 0 H LEU A 28 2.543 1.029 -9.255 1.00 0.00 H new ATOM 0 HA LEU A 28 0.717 2.391 -7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.994 -0.229 -7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.307 0.529 -6.030 1.00 0.00 H new ATOM 0 HG LEU A 28 0.278 -0.958 -6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.152 0.586 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.560 0.735 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.188 1.961 -5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.771 -0.043 -7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.829 1.310 -7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.511 -0.353 -8.351 1.00 0.00 H new ATOM 414 N GLN A 29 3.072 3.849 -7.642 1.00 0.00 N ATOM 415 CA GLN A 29 4.058 4.810 -7.170 1.00 0.00 C ATOM 416 C GLN A 29 3.366 6.084 -6.680 1.00 0.00 C ATOM 417 O GLN A 29 3.978 6.916 -6.010 1.00 0.00 O ATOM 418 CB GLN A 29 5.052 5.146 -8.284 1.00 0.00 C ATOM 419 CG GLN A 29 4.425 5.873 -9.462 1.00 0.00 C ATOM 420 CD GLN A 29 5.081 5.520 -10.783 1.00 0.00 C ATOM 421 OE1 GLN A 29 4.843 4.448 -11.339 1.00 0.00 O ATOM 422 NE2 GLN A 29 5.911 6.422 -11.291 1.00 0.00 N ATOM 0 H GLN A 29 2.641 4.096 -8.533 1.00 0.00 H new ATOM 0 HA GLN A 29 4.604 4.365 -6.338 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.852 5.762 -7.872 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.511 4.224 -8.640 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.364 5.629 -9.511 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.498 6.949 -9.301 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.078 7.297 -10.795 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.382 6.240 -12.177 1.00 0.00 H new ATOM 431 N SER A 30 2.083 6.228 -7.021 1.00 0.00 N ATOM 432 CA SER A 30 1.292 7.374 -6.596 1.00 0.00 C ATOM 433 C SER A 30 0.015 6.897 -5.926 1.00 0.00 C ATOM 434 O SER A 30 -0.909 6.437 -6.594 1.00 0.00 O ATOM 435 CB SER A 30 0.959 8.269 -7.791 1.00 0.00 C ATOM 436 OG SER A 30 1.883 8.075 -8.847 1.00 0.00 O ATOM 0 H SER A 30 1.571 5.557 -7.594 1.00 0.00 H new ATOM 0 HA SER A 30 1.874 7.957 -5.882 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.050 8.052 -8.142 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.971 9.314 -7.481 1.00 0.00 H new ATOM 0 HG SER A 30 1.647 8.657 -9.599 1.00 0.00 H new ATOM 442 N ILE A 31 -0.019 6.972 -4.599 1.00 0.00 N ATOM 443 CA ILE A 31 -1.165 6.490 -3.833 1.00 0.00 C ATOM 444 C ILE A 31 -2.492 6.900 -4.478 1.00 0.00 C ATOM 445 O ILE A 31 -3.500 6.208 -4.344 1.00 0.00 O ATOM 446 CB ILE A 31 -1.115 6.972 -2.366 1.00 0.00 C ATOM 447 CG1 ILE A 31 -2.001 6.080 -1.494 1.00 0.00 C ATOM 448 CG2 ILE A 31 -1.537 8.430 -2.245 1.00 0.00 C ATOM 449 CD1 ILE A 31 -1.227 5.273 -0.476 1.00 0.00 C ATOM 0 H ILE A 31 0.733 7.362 -4.031 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.106 5.402 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.085 6.899 -2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.730 6.702 -0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.561 5.400 -2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.490 8.737 -1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.866 9.053 -2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.557 8.545 -2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.918 4.664 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.516 4.625 -0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.688 5.947 0.189 1.00 0.00 H new ATOM 461 N TYR A 32 -2.483 8.028 -5.179 1.00 0.00 N ATOM 462 CA TYR A 32 -3.682 8.506 -5.856 1.00 0.00 C ATOM 463 C TYR A 32 -4.212 7.450 -6.822 1.00 0.00 C ATOM 464 O TYR A 32 -5.392 7.455 -7.173 1.00 0.00 O ATOM 465 CB TYR A 32 -3.388 9.805 -6.608 1.00 0.00 C ATOM 466 CG TYR A 32 -4.535 10.791 -6.582 1.00 0.00 C ATOM 467 CD1 TYR A 32 -4.762 11.593 -5.471 1.00 0.00 C ATOM 468 CD2 TYR A 32 -5.395 10.915 -7.667 1.00 0.00 C ATOM 469 CE1 TYR A 32 -5.811 12.493 -5.443 1.00 0.00 C ATOM 470 CE2 TYR A 32 -6.445 11.812 -7.646 1.00 0.00 C ATOM 471 CZ TYR A 32 -6.649 12.599 -6.532 1.00 0.00 C ATOM 472 OH TYR A 32 -7.695 13.493 -6.507 1.00 0.00 O ATOM 0 H TYR A 32 -1.664 8.625 -5.293 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.445 8.701 -5.102 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.506 10.275 -6.174 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.146 9.569 -7.644 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.108 11.512 -4.615 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.240 10.300 -8.541 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.973 13.110 -4.572 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.103 11.897 -8.498 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.188 13.444 -7.353 1.00 0.00 H new ATOM 482 N HIS A 33 -3.334 6.544 -7.247 1.00 0.00 N ATOM 483 CA HIS A 33 -3.720 5.475 -8.163 1.00 0.00 C ATOM 484 C HIS A 33 -4.301 4.276 -7.412 1.00 0.00 C ATOM 485 O HIS A 33 -4.857 3.364 -8.025 1.00 0.00 O ATOM 486 CB HIS A 33 -2.514 5.030 -8.993 1.00 0.00 C ATOM 487 CG HIS A 33 -2.868 4.103 -10.115 1.00 0.00 C ATOM 488 ND1 HIS A 33 -2.430 2.797 -10.179 1.00 0.00 N ATOM 489 CD2 HIS A 33 -3.622 4.300 -11.223 1.00 0.00 C ATOM 490 CE1 HIS A 33 -2.899 2.231 -11.277 1.00 0.00 C ATOM 491 NE2 HIS A 33 -3.624 3.121 -11.927 1.00 0.00 N ATOM 0 H HIS A 33 -2.352 6.529 -6.972 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.492 5.868 -8.824 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.020 5.911 -9.403 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.795 4.537 -8.339 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.127 5.213 -11.501 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.719 1.213 -11.589 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.108 2.959 -12.810 1.00 0.00 H new ATOM 500 N LEU A 34 -4.156 4.269 -6.088 1.00 0.00 N ATOM 501 CA LEU A 34 -4.663 3.175 -5.268 1.00 0.00 C ATOM 502 C LEU A 34 -5.643 3.678 -4.213 1.00 0.00 C ATOM 503 O LEU A 34 -5.964 2.967 -3.261 1.00 0.00 O ATOM 504 CB LEU A 34 -3.501 2.456 -4.588 1.00 0.00 C ATOM 505 CG LEU A 34 -2.302 3.343 -4.248 1.00 0.00 C ATOM 506 CD1 LEU A 34 -1.415 2.676 -3.212 1.00 0.00 C ATOM 507 CD2 LEU A 34 -1.502 3.660 -5.504 1.00 0.00 C ATOM 0 H LEU A 34 -3.691 5.009 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.193 2.483 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.866 1.996 -3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.164 1.648 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.677 4.276 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.569 3.325 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.989 2.497 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.050 1.726 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.653 4.292 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.142 2.733 -5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.138 4.183 -6.218 1.00 0.00 H new ATOM 519 N GLN A 35 -6.111 4.908 -4.384 1.00 0.00 N ATOM 520 CA GLN A 35 -7.051 5.508 -3.446 1.00 0.00 C ATOM 521 C GLN A 35 -8.327 4.681 -3.339 1.00 0.00 C ATOM 522 O GLN A 35 -9.035 4.743 -2.334 1.00 0.00 O ATOM 523 CB GLN A 35 -7.393 6.932 -3.887 1.00 0.00 C ATOM 524 CG GLN A 35 -8.104 7.745 -2.818 1.00 0.00 C ATOM 525 CD GLN A 35 -7.198 8.772 -2.168 1.00 0.00 C ATOM 526 OE1 GLN A 35 -7.431 9.976 -2.273 1.00 0.00 O ATOM 527 NE2 GLN A 35 -6.160 8.300 -1.487 1.00 0.00 N ATOM 0 H GLN A 35 -5.854 5.511 -5.166 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.578 5.534 -2.464 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.475 7.446 -4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.022 6.887 -4.776 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.961 8.251 -3.262 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.492 7.072 -2.053 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.005 7.294 -1.426 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.518 8.944 -1.025 1.00 0.00 H new ATOM 536 N ASN A 36 -8.618 3.914 -4.383 1.00 0.00 N ATOM 537 CA ASN A 36 -9.820 3.092 -4.413 1.00 0.00 C ATOM 538 C ASN A 36 -9.479 1.603 -4.447 1.00 0.00 C ATOM 539 O ASN A 36 -10.322 0.760 -4.138 1.00 0.00 O ATOM 540 CB ASN A 36 -10.674 3.458 -5.629 1.00 0.00 C ATOM 541 CG ASN A 36 -11.693 4.533 -5.317 1.00 0.00 C ATOM 542 OD1 ASN A 36 -12.732 4.266 -4.713 1.00 0.00 O ATOM 543 ND2 ASN A 36 -11.400 5.758 -5.732 1.00 0.00 N ATOM 0 H ASN A 36 -8.038 3.845 -5.219 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.382 3.288 -3.500 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -10.025 3.800 -6.436 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.189 2.567 -5.989 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -12.048 6.525 -5.554 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -10.527 5.933 -6.229 1.00 0.00 H new ATOM 550 N LEU A 37 -8.242 1.282 -4.820 1.00 0.00 N ATOM 551 CA LEU A 37 -7.803 -0.110 -4.896 1.00 0.00 C ATOM 552 C LEU A 37 -8.189 -0.877 -3.632 1.00 0.00 C ATOM 553 O LEU A 37 -8.159 -0.332 -2.529 1.00 0.00 O ATOM 554 CB LEU A 37 -6.289 -0.180 -5.108 1.00 0.00 C ATOM 555 CG LEU A 37 -5.848 -0.897 -6.388 1.00 0.00 C ATOM 556 CD1 LEU A 37 -4.715 -0.138 -7.061 1.00 0.00 C ATOM 557 CD2 LEU A 37 -5.428 -2.326 -6.080 1.00 0.00 C ATOM 0 H LEU A 37 -7.528 1.964 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.304 -0.574 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.892 0.835 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.840 -0.686 -4.253 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.694 -0.929 -7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.415 -0.662 -7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.052 0.867 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.866 -0.074 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.118 -2.820 -7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.597 -2.317 -5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.268 -2.866 -5.643 1.00 0.00 H new ATOM 569 N THR A 38 -8.559 -2.142 -3.805 1.00 0.00 N ATOM 570 CA THR A 38 -8.963 -2.981 -2.683 1.00 0.00 C ATOM 571 C THR A 38 -8.368 -4.374 -2.795 1.00 0.00 C ATOM 572 O THR A 38 -7.749 -4.719 -3.800 1.00 0.00 O ATOM 573 CB THR A 38 -10.485 -3.102 -2.633 1.00 0.00 C ATOM 574 OG1 THR A 38 -11.093 -2.176 -3.516 1.00 0.00 O ATOM 575 CG2 THR A 38 -11.053 -2.870 -1.253 1.00 0.00 C ATOM 0 H THR A 38 -8.587 -2.608 -4.712 1.00 0.00 H new ATOM 0 HA THR A 38 -8.595 -2.508 -1.772 1.00 0.00 H new ATOM 0 HB THR A 38 -10.706 -4.127 -2.931 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.067 -2.271 -3.470 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.138 -2.970 -1.285 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.641 -3.605 -0.562 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.791 -1.867 -0.915 1.00 0.00 H new ATOM 583 N ILE A 39 -8.615 -5.192 -1.780 1.00 0.00 N ATOM 584 CA ILE A 39 -8.169 -6.573 -1.800 1.00 0.00 C ATOM 585 C ILE A 39 -8.709 -7.261 -3.041 1.00 0.00 C ATOM 586 O ILE A 39 -8.051 -8.110 -3.642 1.00 0.00 O ATOM 587 CB ILE A 39 -8.642 -7.338 -0.553 1.00 0.00 C ATOM 588 CG1 ILE A 39 -8.094 -8.768 -0.558 1.00 0.00 C ATOM 589 CG2 ILE A 39 -10.162 -7.352 -0.485 1.00 0.00 C ATOM 590 CD1 ILE A 39 -6.612 -8.851 -0.855 1.00 0.00 C ATOM 0 H ILE A 39 -9.120 -4.921 -0.936 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.079 -6.574 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.259 -6.827 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.287 -9.225 0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.637 -9.353 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.481 -7.897 0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.533 -6.328 -0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.561 -7.840 -1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.296 -9.894 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.414 -8.424 -1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.058 -8.294 -0.099 1.00 0.00 H new ATOM 602 N GLU A 40 -9.905 -6.846 -3.433 1.00 0.00 N ATOM 603 CA GLU A 40 -10.557 -7.381 -4.618 1.00 0.00 C ATOM 604 C GLU A 40 -9.676 -7.194 -5.848 1.00 0.00 C ATOM 605 O GLU A 40 -9.538 -8.098 -6.672 1.00 0.00 O ATOM 606 CB GLU A 40 -11.907 -6.697 -4.835 1.00 0.00 C ATOM 607 CG GLU A 40 -12.879 -6.890 -3.683 1.00 0.00 C ATOM 608 CD GLU A 40 -14.034 -7.805 -4.040 1.00 0.00 C ATOM 609 OE1 GLU A 40 -13.780 -8.984 -4.361 1.00 0.00 O ATOM 610 OE2 GLU A 40 -15.193 -7.341 -3.996 1.00 0.00 O ATOM 0 H GLU A 40 -10.447 -6.134 -2.942 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.720 -8.448 -4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.744 -5.630 -4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.358 -7.084 -5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.345 -7.303 -2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.270 -5.920 -3.377 1.00 0.00 H new ATOM 617 N ASP A 41 -9.082 -6.010 -5.965 1.00 0.00 N ATOM 618 CA ASP A 41 -8.209 -5.701 -7.092 1.00 0.00 C ATOM 619 C ASP A 41 -6.790 -6.192 -6.827 1.00 0.00 C ATOM 620 O ASP A 41 -6.050 -6.521 -7.754 1.00 0.00 O ATOM 621 CB ASP A 41 -8.198 -4.194 -7.359 1.00 0.00 C ATOM 622 CG ASP A 41 -9.484 -3.709 -7.998 1.00 0.00 C ATOM 623 OD1 ASP A 41 -10.529 -3.720 -7.313 1.00 0.00 O ATOM 624 OD2 ASP A 41 -9.447 -3.316 -9.184 1.00 0.00 O ATOM 0 H ASP A 41 -9.189 -5.250 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.596 -6.215 -7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.040 -3.663 -6.420 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.358 -3.949 -8.009 1.00 0.00 H new ATOM 629 N LEU A 42 -6.421 -6.241 -5.552 1.00 0.00 N ATOM 630 CA LEU A 42 -5.097 -6.698 -5.153 1.00 0.00 C ATOM 631 C LEU A 42 -4.795 -8.058 -5.771 1.00 0.00 C ATOM 632 O LEU A 42 -3.718 -8.276 -6.325 1.00 0.00 O ATOM 633 CB LEU A 42 -5.010 -6.791 -3.623 1.00 0.00 C ATOM 634 CG LEU A 42 -4.710 -5.483 -2.858 1.00 0.00 C ATOM 635 CD1 LEU A 42 -3.300 -5.521 -2.290 1.00 0.00 C ATOM 636 CD2 LEU A 42 -4.900 -4.239 -3.723 1.00 0.00 C ATOM 0 H LEU A 42 -7.023 -5.969 -4.775 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.360 -5.978 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.954 -7.191 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.236 -7.516 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.431 -5.415 -2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.099 -4.594 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.206 -6.365 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.583 -5.632 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.676 -3.349 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.229 -4.286 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.932 -4.193 -4.072 1.00 0.00 H new ATOM 648 N GLY A 43 -5.763 -8.965 -5.681 1.00 0.00 N ATOM 649 CA GLY A 43 -5.599 -10.287 -6.253 1.00 0.00 C ATOM 650 C GLY A 43 -5.655 -10.282 -7.772 1.00 0.00 C ATOM 651 O GLY A 43 -5.446 -11.315 -8.407 1.00 0.00 O ATOM 0 H GLY A 43 -6.659 -8.806 -5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.644 -10.702 -5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.378 -10.944 -5.867 1.00 0.00 H new ATOM 655 N ALA A 44 -5.950 -9.122 -8.357 1.00 0.00 N ATOM 656 CA ALA A 44 -6.009 -8.996 -9.807 1.00 0.00 C ATOM 657 C ALA A 44 -4.609 -8.840 -10.379 1.00 0.00 C ATOM 658 O ALA A 44 -4.245 -9.492 -11.358 1.00 0.00 O ATOM 659 CB ALA A 44 -6.882 -7.816 -10.206 1.00 0.00 C ATOM 0 H ALA A 44 -6.151 -8.261 -7.849 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.453 -9.904 -10.216 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.914 -7.738 -11.293 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.892 -7.964 -9.823 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.467 -6.899 -9.788 1.00 0.00 H new ATOM 665 N LEU A 45 -3.816 -7.987 -9.739 1.00 0.00 N ATOM 666 CA LEU A 45 -2.444 -7.754 -10.151 1.00 0.00 C ATOM 667 C LEU A 45 -1.699 -9.066 -10.356 1.00 0.00 C ATOM 668 O LEU A 45 -0.769 -9.144 -11.155 1.00 0.00 O ATOM 669 CB LEU A 45 -1.737 -6.927 -9.088 1.00 0.00 C ATOM 670 CG LEU A 45 -2.023 -5.428 -9.149 1.00 0.00 C ATOM 671 CD1 LEU A 45 -3.519 -5.166 -9.071 1.00 0.00 C ATOM 672 CD2 LEU A 45 -1.294 -4.702 -8.032 1.00 0.00 C ATOM 0 H LEU A 45 -4.107 -7.443 -8.927 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.454 -7.218 -11.100 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.028 -7.299 -8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.662 -7.082 -9.182 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.658 -5.046 -10.102 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.703 -4.093 -9.116 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.018 -5.655 -9.907 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.909 -5.562 -8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.509 -3.635 -8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.628 -5.087 -7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.221 -4.862 -8.134 1.00 0.00 H new ATOM 684 N LYS A 46 -2.132 -10.084 -9.623 1.00 0.00 N ATOM 685 CA LYS A 46 -1.523 -11.414 -9.660 1.00 0.00 C ATOM 686 C LYS A 46 -0.305 -11.491 -8.748 1.00 0.00 C ATOM 687 O LYS A 46 0.558 -12.353 -8.914 1.00 0.00 O ATOM 688 CB LYS A 46 -1.129 -11.829 -11.075 1.00 0.00 C ATOM 689 CG LYS A 46 -0.663 -13.265 -11.131 1.00 0.00 C ATOM 690 CD LYS A 46 -1.531 -14.104 -12.055 1.00 0.00 C ATOM 691 CE LYS A 46 -1.529 -15.568 -11.646 1.00 0.00 C ATOM 692 NZ LYS A 46 -2.236 -16.423 -12.640 1.00 0.00 N ATOM 0 H LYS A 46 -2.921 -10.013 -8.981 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.283 -12.109 -9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.981 -11.697 -11.742 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.336 -11.175 -11.438 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.371 -13.299 -11.474 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.680 -13.692 -10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.552 -13.723 -12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.169 -14.011 -13.079 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.501 -15.913 -11.536 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.006 -15.673 -10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.213 -17.414 -12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.224 -16.110 -12.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.766 -16.343 -13.564 1.00 0.00 H new ATOM 706 N ILE A 47 -0.254 -10.594 -7.778 1.00 0.00 N ATOM 707 CA ILE A 47 0.837 -10.566 -6.811 1.00 0.00 C ATOM 708 C ILE A 47 0.573 -11.556 -5.679 1.00 0.00 C ATOM 709 O ILE A 47 -0.554 -11.666 -5.198 1.00 0.00 O ATOM 710 CB ILE A 47 1.028 -9.157 -6.211 1.00 0.00 C ATOM 711 CG1 ILE A 47 0.830 -8.088 -7.287 1.00 0.00 C ATOM 712 CG2 ILE A 47 2.405 -9.027 -5.580 1.00 0.00 C ATOM 713 CD1 ILE A 47 0.929 -6.672 -6.762 1.00 0.00 C ATOM 0 H ILE A 47 -0.959 -9.870 -7.637 1.00 0.00 H new ATOM 0 HA ILE A 47 1.746 -10.846 -7.343 1.00 0.00 H new ATOM 0 HB ILE A 47 0.279 -9.009 -5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.576 -8.229 -8.069 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.147 -8.227 -7.750 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.521 -8.027 -5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.513 -9.766 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.170 -9.195 -6.338 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.778 -5.969 -7.581 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.165 -6.512 -6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.915 -6.514 -6.325 1.00 0.00 H new ATOM 725 N PRO A 48 1.606 -12.300 -5.244 1.00 0.00 N ATOM 726 CA PRO A 48 1.476 -13.285 -4.170 1.00 0.00 C ATOM 727 C PRO A 48 0.542 -12.819 -3.057 1.00 0.00 C ATOM 728 O PRO A 48 0.366 -11.620 -2.842 1.00 0.00 O ATOM 729 CB PRO A 48 2.909 -13.410 -3.660 1.00 0.00 C ATOM 730 CG PRO A 48 3.753 -13.186 -4.870 1.00 0.00 C ATOM 731 CD PRO A 48 2.988 -12.239 -5.763 1.00 0.00 C ATOM 0 HA PRO A 48 1.041 -14.223 -4.515 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.121 -12.673 -2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.092 -14.392 -3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.719 -12.763 -4.595 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.951 -14.127 -5.383 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.390 -11.227 -5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.037 -12.547 -6.807 1.00 0.00 H new ATOM 739 N GLU A 49 -0.066 -13.776 -2.363 1.00 0.00 N ATOM 740 CA GLU A 49 -1.001 -13.461 -1.287 1.00 0.00 C ATOM 741 C GLU A 49 -0.293 -13.390 0.063 1.00 0.00 C ATOM 742 O GLU A 49 -0.925 -13.524 1.110 1.00 0.00 O ATOM 743 CB GLU A 49 -2.123 -14.505 -1.238 1.00 0.00 C ATOM 744 CG GLU A 49 -1.705 -15.842 -0.641 1.00 0.00 C ATOM 745 CD GLU A 49 -0.905 -16.691 -1.610 1.00 0.00 C ATOM 746 OE1 GLU A 49 -0.909 -16.377 -2.818 1.00 0.00 O ATOM 747 OE2 GLU A 49 -0.274 -17.670 -1.159 1.00 0.00 O ATOM 0 H GLU A 49 0.071 -14.774 -2.525 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.431 -12.481 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.953 -14.103 -0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.494 -14.671 -2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.112 -15.665 0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.594 -16.391 -0.332 1.00 0.00 H new ATOM 754 N GLN A 50 1.019 -13.180 0.035 1.00 0.00 N ATOM 755 CA GLN A 50 1.798 -13.093 1.263 1.00 0.00 C ATOM 756 C GLN A 50 1.280 -11.971 2.155 1.00 0.00 C ATOM 757 O GLN A 50 1.143 -12.141 3.367 1.00 0.00 O ATOM 758 CB GLN A 50 3.275 -12.867 0.938 1.00 0.00 C ATOM 759 CG GLN A 50 3.884 -13.970 0.088 1.00 0.00 C ATOM 760 CD GLN A 50 5.070 -13.496 -0.722 1.00 0.00 C ATOM 761 OE1 GLN A 50 5.085 -12.374 -1.230 1.00 0.00 O ATOM 762 NE2 GLN A 50 6.075 -14.352 -0.847 1.00 0.00 N ATOM 0 H GLN A 50 1.562 -13.067 -0.821 1.00 0.00 H new ATOM 0 HA GLN A 50 1.694 -14.035 1.801 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.383 -11.916 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.835 -12.785 1.869 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.195 -14.791 0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.124 -14.365 -0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.019 -15.271 -0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.904 -14.091 -1.381 1.00 0.00 H new ATOM 771 N TYR A 51 1.003 -10.820 1.550 1.00 0.00 N ATOM 772 CA TYR A 51 0.503 -9.669 2.295 1.00 0.00 C ATOM 773 C TYR A 51 -0.571 -8.922 1.509 1.00 0.00 C ATOM 774 O TYR A 51 -0.701 -7.703 1.627 1.00 0.00 O ATOM 775 CB TYR A 51 1.652 -8.719 2.637 1.00 0.00 C ATOM 776 CG TYR A 51 2.908 -9.426 3.094 1.00 0.00 C ATOM 777 CD1 TYR A 51 2.985 -9.999 4.358 1.00 0.00 C ATOM 778 CD2 TYR A 51 4.018 -9.518 2.264 1.00 0.00 C ATOM 779 CE1 TYR A 51 4.132 -10.644 4.780 1.00 0.00 C ATOM 780 CE2 TYR A 51 5.169 -10.160 2.679 1.00 0.00 C ATOM 781 CZ TYR A 51 5.221 -10.721 3.937 1.00 0.00 C ATOM 782 OH TYR A 51 6.365 -11.362 4.353 1.00 0.00 O ATOM 0 H TYR A 51 1.116 -10.659 0.549 1.00 0.00 H new ATOM 0 HA TYR A 51 0.055 -10.039 3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.884 -8.114 1.761 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.325 -8.035 3.420 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.135 -9.939 5.021 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.981 -9.080 1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.175 -11.085 5.765 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.023 -10.222 2.021 1.00 0.00 H new ATOM 0 HH TYR A 51 7.037 -11.328 3.640 1.00 0.00 H new ATOM 792 N ARG A 52 -1.340 -9.653 0.708 1.00 0.00 N ATOM 793 CA ARG A 52 -2.402 -9.046 -0.088 1.00 0.00 C ATOM 794 C ARG A 52 -3.360 -8.259 0.799 1.00 0.00 C ATOM 795 O ARG A 52 -3.512 -7.047 0.646 1.00 0.00 O ATOM 796 CB ARG A 52 -3.171 -10.120 -0.861 1.00 0.00 C ATOM 797 CG ARG A 52 -3.592 -9.688 -2.259 1.00 0.00 C ATOM 798 CD ARG A 52 -3.842 -10.887 -3.161 1.00 0.00 C ATOM 799 NE ARG A 52 -5.252 -11.271 -3.184 1.00 0.00 N ATOM 800 CZ ARG A 52 -5.823 -12.054 -2.272 1.00 0.00 C ATOM 801 NH1 ARG A 52 -5.110 -12.539 -1.263 1.00 0.00 N ATOM 802 NH2 ARG A 52 -7.111 -12.353 -2.368 1.00 0.00 N ATOM 0 H ARG A 52 -1.249 -10.662 0.593 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.942 -8.359 -0.798 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.551 -11.013 -0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.059 -10.397 -0.293 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.497 -9.083 -2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.817 -9.058 -2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.513 -10.653 -4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.242 -11.730 -2.818 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.833 -10.918 -3.944 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.119 -12.312 -1.184 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.553 -13.139 -0.567 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.664 -11.983 -3.141 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.549 -12.953 -1.669 1.00 0.00 H new ATOM 816 N MET A 53 -4.003 -8.956 1.731 1.00 0.00 N ATOM 817 CA MET A 53 -4.945 -8.323 2.647 1.00 0.00 C ATOM 818 C MET A 53 -4.276 -7.186 3.410 1.00 0.00 C ATOM 819 O MET A 53 -4.857 -6.114 3.585 1.00 0.00 O ATOM 820 CB MET A 53 -5.502 -9.353 3.631 1.00 0.00 C ATOM 821 CG MET A 53 -6.698 -10.123 3.095 1.00 0.00 C ATOM 822 SD MET A 53 -6.526 -11.905 3.303 1.00 0.00 S ATOM 823 CE MET A 53 -5.854 -12.368 1.709 1.00 0.00 C ATOM 0 H MET A 53 -3.889 -9.960 1.872 1.00 0.00 H new ATOM 0 HA MET A 53 -5.766 -7.911 2.059 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.713 -10.059 3.890 1.00 0.00 H new ATOM 0 HB3 MET A 53 -5.790 -8.845 4.551 1.00 0.00 H new ATOM 0 HG2 MET A 53 -7.600 -9.787 3.606 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.827 -9.895 2.037 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.708 -13.448 1.675 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.547 -12.070 0.922 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.897 -11.868 1.558 1.00 0.00 H new ATOM 833 N THR A 54 -3.052 -7.429 3.867 1.00 0.00 N ATOM 834 CA THR A 54 -2.300 -6.427 4.614 1.00 0.00 C ATOM 835 C THR A 54 -2.275 -5.097 3.868 1.00 0.00 C ATOM 836 O THR A 54 -2.584 -4.048 4.436 1.00 0.00 O ATOM 837 CB THR A 54 -0.872 -6.917 4.859 1.00 0.00 C ATOM 838 OG1 THR A 54 -0.875 -8.092 5.650 1.00 0.00 O ATOM 839 CG2 THR A 54 0.003 -5.897 5.554 1.00 0.00 C ATOM 0 H THR A 54 -2.559 -8.312 3.733 1.00 0.00 H new ATOM 0 HA THR A 54 -2.795 -6.273 5.573 1.00 0.00 H new ATOM 0 HB THR A 54 -0.459 -7.108 3.868 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.047 -8.391 5.795 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.001 -6.311 5.696 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.067 -4.996 4.944 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.428 -5.648 6.524 1.00 0.00 H new ATOM 847 N ILE A 55 -1.909 -5.146 2.591 1.00 0.00 N ATOM 848 CA ILE A 55 -1.850 -3.945 1.767 1.00 0.00 C ATOM 849 C ILE A 55 -3.227 -3.309 1.629 1.00 0.00 C ATOM 850 O ILE A 55 -3.359 -2.084 1.624 1.00 0.00 O ATOM 851 CB ILE A 55 -1.293 -4.251 0.365 1.00 0.00 C ATOM 852 CG1 ILE A 55 0.074 -4.927 0.473 1.00 0.00 C ATOM 853 CG2 ILE A 55 -1.196 -2.975 -0.457 1.00 0.00 C ATOM 854 CD1 ILE A 55 0.292 -6.020 -0.551 1.00 0.00 C ATOM 0 H ILE A 55 -1.649 -6.004 2.105 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.179 -3.248 2.269 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.976 -4.934 -0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.853 -4.173 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.183 -5.349 1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.800 -3.208 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.186 -2.531 -0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.532 -2.270 0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.282 -6.454 -0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.465 -6.794 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.215 -5.600 -1.554 1.00 0.00 H new ATOM 866 N TRP A 56 -4.252 -4.148 1.520 1.00 0.00 N ATOM 867 CA TRP A 56 -5.621 -3.670 1.396 1.00 0.00 C ATOM 868 C TRP A 56 -6.020 -2.869 2.635 1.00 0.00 C ATOM 869 O TRP A 56 -6.452 -1.721 2.533 1.00 0.00 O ATOM 870 CB TRP A 56 -6.565 -4.861 1.189 1.00 0.00 C ATOM 871 CG TRP A 56 -8.015 -4.544 1.401 1.00 0.00 C ATOM 872 CD1 TRP A 56 -8.691 -3.442 0.961 1.00 0.00 C ATOM 873 CD2 TRP A 56 -8.963 -5.339 2.116 1.00 0.00 C ATOM 874 NE1 TRP A 56 -10.005 -3.511 1.358 1.00 0.00 N ATOM 875 CE2 TRP A 56 -10.194 -4.664 2.066 1.00 0.00 C ATOM 876 CE3 TRP A 56 -8.890 -6.561 2.788 1.00 0.00 C ATOM 877 CZ2 TRP A 56 -11.343 -5.164 2.663 1.00 0.00 C ATOM 878 CZ3 TRP A 56 -10.034 -7.061 3.384 1.00 0.00 C ATOM 879 CH2 TRP A 56 -11.247 -6.362 3.318 1.00 0.00 C ATOM 0 H TRP A 56 -4.158 -5.164 1.515 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.694 -3.010 0.532 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -6.433 -5.242 0.176 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.277 -5.661 1.871 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.258 -2.636 0.387 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -10.722 -2.815 1.157 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -7.959 -7.105 2.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -12.279 -4.627 2.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -9.992 -8.004 3.908 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -12.123 -6.777 3.793 1.00 0.00 H new ATOM 890 N ARG A 57 -5.868 -3.485 3.802 1.00 0.00 N ATOM 891 CA ARG A 57 -6.209 -2.831 5.060 1.00 0.00 C ATOM 892 C ARG A 57 -5.482 -1.498 5.193 1.00 0.00 C ATOM 893 O ARG A 57 -6.030 -0.529 5.717 1.00 0.00 O ATOM 894 CB ARG A 57 -5.859 -3.736 6.245 1.00 0.00 C ATOM 895 CG ARG A 57 -6.181 -5.203 6.008 1.00 0.00 C ATOM 896 CD ARG A 57 -6.901 -5.816 7.198 1.00 0.00 C ATOM 897 NE ARG A 57 -6.036 -5.912 8.370 1.00 0.00 N ATOM 898 CZ ARG A 57 -6.405 -6.481 9.513 1.00 0.00 C ATOM 899 NH1 ARG A 57 -7.618 -7.002 9.637 1.00 0.00 N ATOM 900 NH2 ARG A 57 -5.561 -6.529 10.535 1.00 0.00 N ATOM 0 H ARG A 57 -5.511 -4.435 3.903 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.283 -2.643 5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.796 -3.637 6.465 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.400 -3.392 7.126 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.801 -5.301 5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.259 -5.752 5.817 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.776 -5.214 7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.262 -6.809 6.931 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.096 -5.521 8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.271 -6.967 8.854 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.898 -7.438 10.515 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.627 -6.129 10.444 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.846 -6.966 11.412 1.00 0.00 H new ATOM 914 N GLY A 58 -4.244 -1.457 4.713 1.00 0.00 N ATOM 915 CA GLY A 58 -3.467 -0.235 4.773 1.00 0.00 C ATOM 916 C GLY A 58 -3.932 0.787 3.756 1.00 0.00 C ATOM 917 O GLY A 58 -3.854 1.992 3.992 1.00 0.00 O ATOM 0 H GLY A 58 -3.765 -2.249 4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.539 0.191 5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.416 -0.466 4.600 1.00 0.00 H new ATOM 921 N LEU A 59 -4.426 0.299 2.622 1.00 0.00 N ATOM 922 CA LEU A 59 -4.917 1.169 1.565 1.00 0.00 C ATOM 923 C LEU A 59 -6.259 1.780 1.947 1.00 0.00 C ATOM 924 O LEU A 59 -6.538 2.936 1.627 1.00 0.00 O ATOM 925 CB LEU A 59 -5.052 0.386 0.258 1.00 0.00 C ATOM 926 CG LEU A 59 -4.512 1.100 -0.981 1.00 0.00 C ATOM 927 CD1 LEU A 59 -3.019 1.354 -0.844 1.00 0.00 C ATOM 928 CD2 LEU A 59 -4.806 0.288 -2.233 1.00 0.00 C ATOM 0 H LEU A 59 -4.496 -0.697 2.414 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.198 1.976 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.531 -0.565 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.105 0.156 0.097 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.015 2.063 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.653 1.863 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.835 1.977 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.497 0.404 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.415 0.811 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.331 -0.690 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.883 0.160 -2.339 1.00 0.00 H new ATOM 940 N GLN A 60 -7.088 1.002 2.637 1.00 0.00 N ATOM 941 CA GLN A 60 -8.387 1.491 3.077 1.00 0.00 C ATOM 942 C GLN A 60 -8.213 2.548 4.161 1.00 0.00 C ATOM 943 O GLN A 60 -9.053 3.434 4.319 1.00 0.00 O ATOM 944 CB GLN A 60 -9.249 0.340 3.598 1.00 0.00 C ATOM 945 CG GLN A 60 -8.587 -0.465 4.705 1.00 0.00 C ATOM 946 CD GLN A 60 -9.474 -1.582 5.222 1.00 0.00 C ATOM 947 OE1 GLN A 60 -9.853 -1.596 6.393 1.00 0.00 O ATOM 948 NE2 GLN A 60 -9.808 -2.524 4.349 1.00 0.00 N ATOM 0 H GLN A 60 -6.884 0.038 2.901 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.892 1.941 2.222 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.192 0.742 3.967 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.489 -0.327 2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.654 -0.889 4.333 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.329 0.200 5.529 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.470 -2.471 3.388 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.402 -3.301 4.639 1.00 0.00 H new ATOM 957 N ASP A 61 -7.105 2.458 4.891 1.00 0.00 N ATOM 958 CA ASP A 61 -6.801 3.423 5.937 1.00 0.00 C ATOM 959 C ASP A 61 -6.667 4.820 5.344 1.00 0.00 C ATOM 960 O ASP A 61 -6.939 5.820 6.009 1.00 0.00 O ATOM 961 CB ASP A 61 -5.510 3.034 6.660 1.00 0.00 C ATOM 962 CG ASP A 61 -5.730 2.775 8.137 1.00 0.00 C ATOM 963 OD1 ASP A 61 -6.569 3.473 8.745 1.00 0.00 O ATOM 964 OD2 ASP A 61 -5.064 1.873 8.688 1.00 0.00 O ATOM 0 H ASP A 61 -6.404 1.726 4.776 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.620 3.423 6.657 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.092 2.141 6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.775 3.830 6.539 1.00 0.00 H new ATOM 969 N LEU A 62 -6.253 4.879 4.081 1.00 0.00 N ATOM 970 CA LEU A 62 -6.104 6.149 3.383 1.00 0.00 C ATOM 971 C LEU A 62 -7.463 6.804 3.176 1.00 0.00 C ATOM 972 O LEU A 62 -7.596 8.025 3.243 1.00 0.00 O ATOM 973 CB LEU A 62 -5.424 5.932 2.030 1.00 0.00 C ATOM 974 CG LEU A 62 -4.181 5.042 2.064 1.00 0.00 C ATOM 975 CD1 LEU A 62 -3.955 4.393 0.708 1.00 0.00 C ATOM 976 CD2 LEU A 62 -2.965 5.850 2.485 1.00 0.00 C ATOM 0 H LEU A 62 -6.015 4.060 3.521 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.484 6.806 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.148 5.493 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.145 6.903 1.621 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.338 4.251 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.066 3.763 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.820 3.783 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.816 5.167 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.088 5.204 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.803 6.660 1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.131 6.267 3.478 1.00 0.00 H new ATOM 988 N LYS A 63 -8.472 5.973 2.938 1.00 0.00 N ATOM 989 CA LYS A 63 -9.831 6.455 2.720 1.00 0.00 C ATOM 990 C LYS A 63 -10.624 6.480 4.024 1.00 0.00 C ATOM 991 O LYS A 63 -11.836 6.264 4.027 1.00 0.00 O ATOM 992 CB LYS A 63 -10.548 5.568 1.699 1.00 0.00 C ATOM 993 CG LYS A 63 -11.819 6.185 1.134 1.00 0.00 C ATOM 994 CD LYS A 63 -11.609 7.636 0.729 1.00 0.00 C ATOM 995 CE LYS A 63 -10.432 7.788 -0.221 1.00 0.00 C ATOM 996 NZ LYS A 63 -10.839 8.399 -1.516 1.00 0.00 N ATOM 0 H LYS A 63 -8.374 4.959 2.891 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.767 7.473 2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.865 5.350 0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.795 4.616 2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.149 5.610 0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.614 6.126 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.513 8.016 0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.439 8.242 1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.665 8.406 0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.986 6.811 -0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.802 7.680 -2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.809 8.767 -1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.191 9.178 -1.751 1.00 0.00 H new ATOM 1010 N GLN A 64 -9.935 6.743 5.130 1.00 0.00 N ATOM 1011 CA GLN A 64 -10.581 6.792 6.436 1.00 0.00 C ATOM 1012 C GLN A 64 -11.767 7.751 6.420 1.00 0.00 C ATOM 1013 O GLN A 64 -12.915 7.332 6.275 1.00 0.00 O ATOM 1014 CB GLN A 64 -9.576 7.220 7.507 1.00 0.00 C ATOM 1015 CG GLN A 64 -8.823 6.057 8.132 1.00 0.00 C ATOM 1016 CD GLN A 64 -9.431 5.609 9.446 1.00 0.00 C ATOM 1017 OE1 GLN A 64 -9.840 6.430 10.267 1.00 0.00 O ATOM 1018 NE2 GLN A 64 -9.492 4.299 9.653 1.00 0.00 N ATOM 0 H GLN A 64 -8.932 6.925 5.148 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.949 5.793 6.671 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -8.859 7.911 7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.102 7.765 8.291 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.814 5.219 7.436 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.785 6.347 8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.141 3.654 8.945 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.890 3.938 10.520 1.00 0.00 H new ATOM 1027 N GLY A 65 -11.482 9.042 6.565 1.00 0.00 N ATOM 1028 CA GLY A 65 -12.536 10.038 6.560 1.00 0.00 C ATOM 1029 C GLY A 65 -12.361 11.061 5.455 1.00 0.00 C ATOM 1030 O GLY A 65 -11.751 12.110 5.661 1.00 0.00 O ATOM 0 H GLY A 65 -10.540 9.415 6.686 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.500 9.542 6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.555 10.548 7.523 1.00 0.00 H new ATOM 1034 N HIS A 66 -12.898 10.756 4.277 1.00 0.00 N ATOM 1035 CA HIS A 66 -12.796 11.657 3.135 1.00 0.00 C ATOM 1036 C HIS A 66 -14.159 11.874 2.486 1.00 0.00 C ATOM 1037 O HIS A 66 -14.907 10.923 2.260 1.00 0.00 O ATOM 1038 CB HIS A 66 -11.811 11.100 2.104 1.00 0.00 C ATOM 1039 CG HIS A 66 -11.448 12.080 1.033 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -10.155 12.504 0.806 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -12.217 12.721 0.121 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -10.145 13.363 -0.197 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -11.382 13.511 -0.630 1.00 0.00 N ATOM 0 H HIS A 66 -13.408 9.893 4.089 1.00 0.00 H new ATOM 0 HA HIS A 66 -12.430 12.618 3.497 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.903 10.781 2.616 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -12.244 10.213 1.642 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.287 12.628 0.006 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.272 13.860 -0.595 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.672 14.115 -1.399 1.00 0.00 H new ATOM 1052 N ASP A 67 -14.472 13.131 2.188 1.00 0.00 N ATOM 1053 CA ASP A 67 -15.734 13.484 1.558 1.00 0.00 C ATOM 1054 C ASP A 67 -15.825 14.983 1.340 1.00 0.00 C ATOM 1055 O ASP A 67 -15.382 15.776 2.169 1.00 0.00 O ATOM 1056 CB ASP A 67 -16.911 13.013 2.392 1.00 0.00 C ATOM 1057 CG ASP A 67 -18.231 13.153 1.661 1.00 0.00 C ATOM 1058 OD1 ASP A 67 -18.328 12.673 0.512 1.00 0.00 O ATOM 1059 OD2 ASP A 67 -19.168 13.745 2.237 1.00 0.00 O ATOM 0 H ASP A 67 -13.862 13.926 2.376 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.771 12.983 0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -16.762 11.970 2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -16.949 13.587 3.318 1.00 0.00 H new ATOM 1064 N TYR A 68 -16.398 15.358 0.211 1.00 0.00 N ATOM 1065 CA TYR A 68 -16.565 16.762 -0.133 1.00 0.00 C ATOM 1066 C TYR A 68 -15.221 17.488 -0.098 1.00 0.00 C ATOM 1067 O TYR A 68 -14.469 17.387 -1.090 1.00 0.00 O ATOM 1068 CB TYR A 68 -17.558 17.412 0.836 1.00 0.00 C ATOM 1069 CG TYR A 68 -17.544 18.927 0.828 1.00 0.00 C ATOM 1070 CD1 TYR A 68 -17.321 19.632 -0.348 1.00 0.00 C ATOM 1071 CD2 TYR A 68 -17.750 19.649 1.997 1.00 0.00 C ATOM 1072 CE1 TYR A 68 -17.306 21.014 -0.359 1.00 0.00 C ATOM 1073 CE2 TYR A 68 -17.737 21.030 1.994 1.00 0.00 C ATOM 1074 CZ TYR A 68 -17.515 21.708 0.814 1.00 0.00 C ATOM 1075 OH TYR A 68 -17.500 23.084 0.806 1.00 0.00 O ATOM 1076 OXT TYR A 68 -14.933 18.151 0.922 1.00 0.00 O ATOM 0 H TYR A 68 -16.758 14.708 -0.488 1.00 0.00 H new ATOM 0 HA TYR A 68 -16.959 16.836 -1.147 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -18.563 17.069 0.590 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -17.341 17.065 1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -17.157 19.092 -1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -17.923 19.122 2.923 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -17.131 21.548 -1.282 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -17.900 21.576 2.911 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.665 23.418 1.712 1.00 0.00 H new TER 1086 TYR A 68