USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 665 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -5.36! C(o=-5.4!,f=-12!) USER MOD Single : A 16 THR OG1 : rot 110:sc= -0.644 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -145:sc= -0.905 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.391) USER MOD Single : A 41 TYR OH : rot 57:sc= 0.0635 USER MOD Single : A 43 LYS NZ :NH3+ 145:sc= -1.76 (180deg=-3.2) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.09 K(o=1.1,f=-0.064) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc=-0.00433 USER MOD Single : A 69 LYS NZ :NH3+ 145:sc= -0.954 (180deg=-3.39!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -149:sc= 2.04 (180deg=0.799) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.3) USER MOD Single : A 84 HIS : no HE2:sc= -4.91! C(o=-4.9!,f=-3.1!) USER MOD Single : A 89 ASN : amide:sc= -0.492 X(o=-0.49,f=0) USER MOD ----------------------------------------------------------------- ATOM 51 N PRO A 4 8.199 -9.532 -2.683 1.00 0.00 N ATOM 52 CA PRO A 4 7.593 -8.904 -3.862 1.00 0.00 C ATOM 53 C PRO A 4 8.236 -7.561 -4.180 1.00 0.00 C ATOM 54 O PRO A 4 8.533 -6.778 -3.279 1.00 0.00 O ATOM 55 CB PRO A 4 6.124 -8.719 -3.463 1.00 0.00 C ATOM 56 CG PRO A 4 6.113 -8.797 -1.973 1.00 0.00 C ATOM 57 CD PRO A 4 7.222 -9.738 -1.604 1.00 0.00 C ATOM 0 HA PRO A 4 7.722 -9.508 -4.760 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.739 -7.760 -3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.495 -9.493 -3.903 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.270 -7.814 -1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.153 -9.162 -1.608 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.643 -9.502 -0.627 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.878 -10.771 -1.562 1.00 0.00 H new ATOM 65 N ALA A 5 8.449 -7.295 -5.465 1.00 0.00 N ATOM 66 CA ALA A 5 9.056 -6.042 -5.891 1.00 0.00 C ATOM 67 C ALA A 5 8.034 -4.914 -5.886 1.00 0.00 C ATOM 68 O ALA A 5 7.841 -4.232 -6.892 1.00 0.00 O ATOM 69 CB ALA A 5 9.673 -6.183 -7.275 1.00 0.00 C ATOM 0 H ALA A 5 8.210 -7.930 -6.227 1.00 0.00 H new ATOM 0 HA ALA A 5 9.846 -5.797 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.120 -5.235 -7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.441 -6.956 -7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.900 -6.460 -7.992 1.00 0.00 H new ATOM 75 N PHE A 6 7.377 -4.725 -4.747 1.00 0.00 N ATOM 76 CA PHE A 6 6.373 -3.682 -4.612 1.00 0.00 C ATOM 77 C PHE A 6 6.967 -2.311 -4.909 1.00 0.00 C ATOM 78 O PHE A 6 8.184 -2.126 -4.874 1.00 0.00 O ATOM 79 CB PHE A 6 5.780 -3.703 -3.204 1.00 0.00 C ATOM 80 CG PHE A 6 6.757 -3.305 -2.135 1.00 0.00 C ATOM 81 CD1 PHE A 6 6.896 -1.977 -1.764 1.00 0.00 C ATOM 82 CD2 PHE A 6 7.536 -4.259 -1.501 1.00 0.00 C ATOM 83 CE1 PHE A 6 7.794 -1.608 -0.781 1.00 0.00 C ATOM 84 CE2 PHE A 6 8.435 -3.896 -0.517 1.00 0.00 C ATOM 85 CZ PHE A 6 8.564 -2.569 -0.157 1.00 0.00 C ATOM 0 H PHE A 6 7.523 -5.282 -3.905 1.00 0.00 H new ATOM 0 HA PHE A 6 5.582 -3.875 -5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.923 -3.031 -3.170 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.408 -4.705 -2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 6 6.295 -1.222 -2.249 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.439 -5.298 -1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.893 -0.570 -0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 6 9.036 -4.649 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.267 -2.283 0.612 1.00 0.00 H new ATOM 95 N ASP A 7 6.097 -1.353 -5.195 1.00 0.00 N ATOM 96 CA ASP A 7 6.522 0.006 -5.495 1.00 0.00 C ATOM 97 C ASP A 7 5.469 1.003 -5.032 1.00 0.00 C ATOM 98 O ASP A 7 4.273 0.710 -5.056 1.00 0.00 O ATOM 99 CB ASP A 7 6.773 0.167 -6.996 1.00 0.00 C ATOM 100 CG ASP A 7 8.161 0.696 -7.297 1.00 0.00 C ATOM 101 OD1 ASP A 7 8.558 1.706 -6.680 1.00 0.00 O ATOM 102 OD2 ASP A 7 8.851 0.099 -8.149 1.00 0.00 O ATOM 0 H ASP A 7 5.087 -1.493 -5.226 1.00 0.00 H new ATOM 0 HA ASP A 7 7.452 0.203 -4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.639 -0.796 -7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.030 0.846 -7.415 1.00 0.00 H new ATOM 107 N LEU A 8 5.913 2.179 -4.605 1.00 0.00 N ATOM 108 CA LEU A 8 4.993 3.204 -4.134 1.00 0.00 C ATOM 109 C LEU A 8 5.126 4.488 -4.944 1.00 0.00 C ATOM 110 O LEU A 8 6.229 4.927 -5.267 1.00 0.00 O ATOM 111 CB LEU A 8 5.232 3.506 -2.651 1.00 0.00 C ATOM 112 CG LEU A 8 5.961 2.413 -1.867 1.00 0.00 C ATOM 113 CD1 LEU A 8 6.886 3.032 -0.831 1.00 0.00 C ATOM 114 CD2 LEU A 8 4.960 1.480 -1.200 1.00 0.00 C ATOM 0 H LEU A 8 6.897 2.444 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 8 3.982 2.817 -4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.806 4.429 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.269 3.689 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 8 6.564 1.830 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.397 2.242 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.622 3.662 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.302 3.637 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.495 0.708 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.333 2.050 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.335 1.013 -1.961 1.00 0.00 H new ATOM 126 N SER A 9 3.984 5.089 -5.253 1.00 0.00 N ATOM 127 CA SER A 9 3.943 6.334 -6.007 1.00 0.00 C ATOM 128 C SER A 9 2.844 7.227 -5.455 1.00 0.00 C ATOM 129 O SER A 9 1.734 6.764 -5.190 1.00 0.00 O ATOM 130 CB SER A 9 3.707 6.058 -7.493 1.00 0.00 C ATOM 131 OG SER A 9 2.565 5.244 -7.687 1.00 0.00 O ATOM 0 H SER A 9 3.066 4.730 -4.990 1.00 0.00 H new ATOM 0 HA SER A 9 4.903 6.840 -5.905 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.580 7.001 -8.025 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.583 5.568 -7.918 1.00 0.00 H new ATOM 0 HG SER A 9 2.436 5.084 -8.645 1.00 0.00 H new ATOM 137 N GLN A 10 3.159 8.498 -5.253 1.00 0.00 N ATOM 138 CA GLN A 10 2.187 9.425 -4.697 1.00 0.00 C ATOM 139 C GLN A 10 2.082 10.712 -5.505 1.00 0.00 C ATOM 140 O GLN A 10 3.082 11.260 -5.971 1.00 0.00 O ATOM 141 CB GLN A 10 2.558 9.751 -3.252 1.00 0.00 C ATOM 142 CG GLN A 10 3.677 10.772 -3.128 1.00 0.00 C ATOM 143 CD GLN A 10 5.009 10.240 -3.619 1.00 0.00 C ATOM 144 OE1 GLN A 10 5.535 9.264 -3.086 1.00 0.00 O ATOM 145 NE2 GLN A 10 5.562 10.882 -4.641 1.00 0.00 N ATOM 0 H GLN A 10 4.070 8.907 -5.463 1.00 0.00 H new ATOM 0 HA GLN A 10 1.212 8.938 -4.736 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.675 10.127 -2.735 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.857 8.833 -2.746 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.414 11.664 -3.697 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.773 11.075 -2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.090 11.687 -5.053 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.458 10.570 -5.014 1.00 0.00 H new ATOM 154 N ASP A 11 0.852 11.192 -5.644 1.00 0.00 N ATOM 155 CA ASP A 11 0.566 12.420 -6.363 1.00 0.00 C ATOM 156 C ASP A 11 0.193 13.526 -5.379 1.00 0.00 C ATOM 157 O ASP A 11 -0.171 13.254 -4.235 1.00 0.00 O ATOM 158 CB ASP A 11 -0.571 12.198 -7.360 1.00 0.00 C ATOM 159 CG ASP A 11 -0.079 11.660 -8.689 1.00 0.00 C ATOM 160 OD1 ASP A 11 0.824 10.797 -8.682 1.00 0.00 O ATOM 161 OD2 ASP A 11 -0.596 12.101 -9.737 1.00 0.00 O ATOM 0 H ASP A 11 0.025 10.736 -5.259 1.00 0.00 H new ATOM 0 HA ASP A 11 1.458 12.721 -6.913 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.293 11.501 -6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.095 13.139 -7.524 1.00 0.00 H new ATOM 166 N PRO A 12 0.289 14.788 -5.812 1.00 0.00 N ATOM 167 CA PRO A 12 -0.027 15.951 -4.969 1.00 0.00 C ATOM 168 C PRO A 12 -1.446 15.933 -4.391 1.00 0.00 C ATOM 169 O PRO A 12 -1.789 16.791 -3.577 1.00 0.00 O ATOM 170 CB PRO A 12 0.136 17.145 -5.919 1.00 0.00 C ATOM 171 CG PRO A 12 0.144 16.564 -7.293 1.00 0.00 C ATOM 172 CD PRO A 12 0.724 15.188 -7.156 1.00 0.00 C ATOM 0 HA PRO A 12 0.622 15.977 -4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.681 17.856 -5.799 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.061 17.685 -5.716 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.864 16.523 -7.705 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.741 17.174 -7.971 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.346 14.511 -7.922 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.810 15.196 -7.245 1.00 0.00 H new ATOM 180 N ASP A 13 -2.270 14.967 -4.795 1.00 0.00 N ATOM 181 CA ASP A 13 -3.637 14.879 -4.282 1.00 0.00 C ATOM 182 C ASP A 13 -4.021 13.443 -3.920 1.00 0.00 C ATOM 183 O ASP A 13 -5.181 13.173 -3.613 1.00 0.00 O ATOM 184 CB ASP A 13 -4.623 15.428 -5.312 1.00 0.00 C ATOM 185 CG ASP A 13 -4.424 16.909 -5.568 1.00 0.00 C ATOM 186 OD1 ASP A 13 -3.314 17.294 -5.989 1.00 0.00 O ATOM 187 OD2 ASP A 13 -5.379 17.683 -5.346 1.00 0.00 O ATOM 0 H ASP A 13 -2.020 14.242 -5.468 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.681 15.478 -3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.509 14.881 -6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.642 15.255 -4.964 1.00 0.00 H new ATOM 192 N PHE A 14 -3.046 12.535 -3.938 1.00 0.00 N ATOM 193 CA PHE A 14 -3.300 11.130 -3.602 1.00 0.00 C ATOM 194 C PHE A 14 -2.002 10.351 -3.412 1.00 0.00 C ATOM 195 O PHE A 14 -0.923 10.821 -3.759 1.00 0.00 O ATOM 196 CB PHE A 14 -4.115 10.442 -4.706 1.00 0.00 C ATOM 197 CG PHE A 14 -5.416 11.114 -5.033 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.465 12.147 -5.955 1.00 0.00 C ATOM 199 CD2 PHE A 14 -6.592 10.712 -4.419 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.661 12.767 -6.259 1.00 0.00 C ATOM 201 CE2 PHE A 14 -7.792 11.328 -4.720 1.00 0.00 C ATOM 202 CZ PHE A 14 -7.827 12.357 -5.642 1.00 0.00 C ATOM 0 H PHE A 14 -2.077 12.743 -4.180 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.860 11.131 -2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.509 10.394 -5.611 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.318 9.415 -4.403 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.557 12.471 -6.442 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.570 9.909 -3.698 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.685 13.572 -6.979 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.702 11.006 -4.235 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.764 12.839 -5.880 1.00 0.00 H new ATOM 212 N LEU A 15 -2.132 9.142 -2.875 1.00 0.00 N ATOM 213 CA LEU A 15 -0.992 8.262 -2.652 1.00 0.00 C ATOM 214 C LEU A 15 -1.343 6.849 -3.095 1.00 0.00 C ATOM 215 O LEU A 15 -2.159 6.181 -2.460 1.00 0.00 O ATOM 216 CB LEU A 15 -0.587 8.256 -1.178 1.00 0.00 C ATOM 217 CG LEU A 15 0.329 7.100 -0.769 1.00 0.00 C ATOM 218 CD1 LEU A 15 -0.490 5.871 -0.406 1.00 0.00 C ATOM 219 CD2 LEU A 15 1.307 6.775 -1.888 1.00 0.00 C ATOM 0 H LEU A 15 -3.026 8.747 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.150 8.632 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.086 9.197 -0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.489 8.219 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 15 0.897 7.406 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.179 5.060 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.152 6.108 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.084 5.563 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.951 5.951 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.754 6.489 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.918 7.652 -2.103 1.00 0.00 H new ATOM 231 N THR A 16 -0.743 6.395 -4.190 1.00 0.00 N ATOM 232 CA THR A 16 -1.022 5.063 -4.705 1.00 0.00 C ATOM 233 C THR A 16 0.053 4.064 -4.296 1.00 0.00 C ATOM 234 O THR A 16 1.228 4.409 -4.176 1.00 0.00 O ATOM 235 CB THR A 16 -1.132 5.072 -6.243 1.00 0.00 C ATOM 236 OG1 THR A 16 -2.009 6.110 -6.697 1.00 0.00 O ATOM 237 CG2 THR A 16 -1.653 3.740 -6.757 1.00 0.00 C ATOM 0 H THR A 16 -0.064 6.928 -4.734 1.00 0.00 H new ATOM 0 HA THR A 16 -1.975 4.757 -4.273 1.00 0.00 H new ATOM 0 HB THR A 16 -0.129 5.251 -6.631 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.486 6.808 -7.143 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.722 3.771 -7.844 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.971 2.943 -6.459 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.640 3.549 -6.336 1.00 0.00 H new ATOM 245 N ILE A 17 -0.364 2.820 -4.095 1.00 0.00 N ATOM 246 CA ILE A 17 0.547 1.751 -3.712 1.00 0.00 C ATOM 247 C ILE A 17 0.428 0.586 -4.689 1.00 0.00 C ATOM 248 O ILE A 17 -0.616 0.401 -5.315 1.00 0.00 O ATOM 249 CB ILE A 17 0.261 1.260 -2.279 1.00 0.00 C ATOM 250 CG1 ILE A 17 -0.100 2.442 -1.374 1.00 0.00 C ATOM 251 CG2 ILE A 17 1.463 0.509 -1.726 1.00 0.00 C ATOM 252 CD1 ILE A 17 0.038 2.139 0.101 1.00 0.00 C ATOM 0 H ILE A 17 -1.336 2.526 -4.192 1.00 0.00 H new ATOM 0 HA ILE A 17 1.562 2.148 -3.742 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.587 0.576 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.539 3.289 -1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.126 2.746 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.245 0.169 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.677 -0.352 -2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.329 1.171 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.234 3.021 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.622 1.313 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.070 1.864 0.321 1.00 0.00 H new ATOM 264 N ALA A 18 1.500 -0.189 -4.836 1.00 0.00 N ATOM 265 CA ALA A 18 1.491 -1.317 -5.760 1.00 0.00 C ATOM 266 C ALA A 18 2.190 -2.541 -5.177 1.00 0.00 C ATOM 267 O ALA A 18 3.370 -2.492 -4.831 1.00 0.00 O ATOM 268 CB ALA A 18 2.137 -0.932 -7.083 1.00 0.00 C ATOM 0 H ALA A 18 2.377 -0.058 -4.332 1.00 0.00 H new ATOM 0 HA ALA A 18 0.447 -1.580 -5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.120 -1.787 -7.759 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.585 -0.105 -7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.169 -0.627 -6.909 1.00 0.00 H new ATOM 274 N ILE A 19 1.452 -3.643 -5.093 1.00 0.00 N ATOM 275 CA ILE A 19 1.990 -4.896 -4.574 1.00 0.00 C ATOM 276 C ILE A 19 1.806 -6.004 -5.606 1.00 0.00 C ATOM 277 O ILE A 19 0.690 -6.253 -6.061 1.00 0.00 O ATOM 278 CB ILE A 19 1.305 -5.318 -3.255 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.914 -4.092 -2.426 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.220 -6.230 -2.454 1.00 0.00 C ATOM 281 CD1 ILE A 19 -0.339 -4.296 -1.602 1.00 0.00 C ATOM 0 H ILE A 19 0.474 -3.694 -5.379 1.00 0.00 H new ATOM 0 HA ILE A 19 3.049 -4.736 -4.371 1.00 0.00 H new ATOM 0 HB ILE A 19 0.395 -5.864 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.739 -3.834 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.766 -3.243 -3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.725 -6.520 -1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.447 -7.122 -3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.146 -5.703 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.557 -3.388 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.176 -4.524 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.188 -5.124 -0.909 1.00 0.00 H new ATOM 293 N ARG A 20 2.900 -6.659 -5.984 1.00 0.00 N ATOM 294 CA ARG A 20 2.831 -7.729 -6.974 1.00 0.00 C ATOM 295 C ARG A 20 2.863 -9.102 -6.311 1.00 0.00 C ATOM 296 O ARG A 20 3.830 -9.457 -5.637 1.00 0.00 O ATOM 297 CB ARG A 20 3.992 -7.604 -7.965 1.00 0.00 C ATOM 298 CG ARG A 20 4.160 -6.207 -8.540 1.00 0.00 C ATOM 299 CD ARG A 20 5.614 -5.762 -8.507 1.00 0.00 C ATOM 300 NE ARG A 20 5.949 -4.889 -9.630 1.00 0.00 N ATOM 301 CZ ARG A 20 5.984 -5.295 -10.896 1.00 0.00 C ATOM 302 NH1 ARG A 20 5.699 -6.555 -11.200 1.00 0.00 N ATOM 303 NH2 ARG A 20 6.306 -4.442 -11.858 1.00 0.00 N ATOM 0 H ARG A 20 3.836 -6.470 -5.624 1.00 0.00 H new ATOM 0 HA ARG A 20 1.885 -7.631 -7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.916 -7.895 -7.466 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.836 -8.307 -8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.796 -6.189 -9.567 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.550 -5.503 -7.973 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.811 -5.239 -7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.261 -6.639 -8.525 1.00 0.00 H new ATOM 0 HE ARG A 20 6.168 -3.913 -9.432 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.452 -7.214 -10.462 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.727 -6.864 -12.172 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.527 -3.473 -11.628 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.333 -4.754 -12.829 1.00 0.00 H new ATOM 317 N VAL A 21 1.794 -9.871 -6.508 1.00 0.00 N ATOM 318 CA VAL A 21 1.698 -11.204 -5.925 1.00 0.00 C ATOM 319 C VAL A 21 0.896 -12.155 -6.808 1.00 0.00 C ATOM 320 O VAL A 21 -0.086 -11.762 -7.436 1.00 0.00 O ATOM 321 CB VAL A 21 1.053 -11.161 -4.528 1.00 0.00 C ATOM 322 CG1 VAL A 21 1.798 -10.194 -3.622 1.00 0.00 C ATOM 323 CG2 VAL A 21 -0.417 -10.783 -4.630 1.00 0.00 C ATOM 0 H VAL A 21 0.986 -9.594 -7.065 1.00 0.00 H new ATOM 0 HA VAL A 21 2.720 -11.575 -5.842 1.00 0.00 H new ATOM 0 HB VAL A 21 1.119 -12.156 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.326 -10.179 -2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.835 -10.515 -3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.768 -9.194 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.856 -10.758 -3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.509 -9.800 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.941 -11.520 -5.239 1.00 0.00 H new ATOM 333 N SER A 22 1.328 -13.411 -6.846 1.00 0.00 N ATOM 334 CA SER A 22 0.661 -14.435 -7.645 1.00 0.00 C ATOM 335 C SER A 22 0.284 -15.645 -6.786 1.00 0.00 C ATOM 336 O SER A 22 -0.619 -16.406 -7.133 1.00 0.00 O ATOM 337 CB SER A 22 1.567 -14.876 -8.796 1.00 0.00 C ATOM 338 OG SER A 22 2.924 -14.919 -8.389 1.00 0.00 O ATOM 0 H SER A 22 2.141 -13.746 -6.330 1.00 0.00 H new ATOM 0 HA SER A 22 -0.255 -14.005 -8.051 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.259 -15.860 -9.149 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.457 -14.188 -9.634 1.00 0.00 H new ATOM 0 HG SER A 22 3.482 -15.205 -9.142 1.00 0.00 H new ATOM 344 N TYR A 23 0.988 -15.818 -5.670 1.00 0.00 N ATOM 345 CA TYR A 23 0.743 -16.934 -4.762 1.00 0.00 C ATOM 346 C TYR A 23 -0.520 -16.715 -3.933 1.00 0.00 C ATOM 347 O TYR A 23 -0.977 -17.628 -3.244 1.00 0.00 O ATOM 348 CB TYR A 23 1.947 -17.135 -3.838 1.00 0.00 C ATOM 349 CG TYR A 23 3.127 -17.786 -4.523 1.00 0.00 C ATOM 350 CD1 TYR A 23 3.422 -17.507 -5.851 1.00 0.00 C ATOM 351 CD2 TYR A 23 3.945 -18.680 -3.842 1.00 0.00 C ATOM 352 CE1 TYR A 23 4.498 -18.099 -6.483 1.00 0.00 C ATOM 353 CE2 TYR A 23 5.023 -19.276 -4.468 1.00 0.00 C ATOM 354 CZ TYR A 23 5.296 -18.982 -5.788 1.00 0.00 C ATOM 355 OH TYR A 23 6.368 -19.575 -6.414 1.00 0.00 O ATOM 0 H TYR A 23 1.738 -15.194 -5.372 1.00 0.00 H new ATOM 0 HA TYR A 23 0.597 -17.829 -5.366 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.255 -16.168 -3.440 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.646 -17.748 -2.989 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.799 -16.815 -6.399 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.735 -18.912 -2.808 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.713 -17.871 -7.517 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.649 -19.969 -3.926 1.00 0.00 H new ATOM 0 HH TYR A 23 6.827 -20.169 -5.784 1.00 0.00 H new ATOM 365 N ALA A 24 -1.067 -15.499 -4.001 1.00 0.00 N ATOM 366 CA ALA A 24 -2.277 -15.137 -3.256 1.00 0.00 C ATOM 367 C ALA A 24 -3.104 -16.367 -2.884 1.00 0.00 C ATOM 368 O ALA A 24 -3.962 -16.811 -3.648 1.00 0.00 O ATOM 369 CB ALA A 24 -3.128 -14.156 -4.050 1.00 0.00 C ATOM 0 H ALA A 24 -0.688 -14.742 -4.569 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.954 -14.658 -2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.020 -13.902 -3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.553 -13.251 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.421 -14.611 -4.996 1.00 0.00 H new ATOM 375 N ARG A 25 -2.828 -16.912 -1.704 1.00 0.00 N ATOM 376 CA ARG A 25 -3.533 -18.096 -1.219 1.00 0.00 C ATOM 377 C ARG A 25 -4.867 -17.723 -0.579 1.00 0.00 C ATOM 378 O ARG A 25 -5.522 -18.559 0.043 1.00 0.00 O ATOM 379 CB ARG A 25 -2.668 -18.861 -0.215 1.00 0.00 C ATOM 380 CG ARG A 25 -2.544 -20.342 -0.525 1.00 0.00 C ATOM 381 CD ARG A 25 -3.173 -21.194 0.566 1.00 0.00 C ATOM 382 NE ARG A 25 -3.674 -22.463 0.047 1.00 0.00 N ATOM 383 CZ ARG A 25 -4.784 -22.577 -0.674 1.00 0.00 C ATOM 384 NH1 ARG A 25 -5.507 -21.501 -0.956 1.00 0.00 N ATOM 385 NH2 ARG A 25 -5.174 -23.766 -1.114 1.00 0.00 N ATOM 0 H ARG A 25 -2.120 -16.553 -1.064 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.733 -18.737 -2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.672 -18.418 -0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.091 -18.741 0.782 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.026 -20.557 -1.479 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.492 -20.605 -0.633 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.436 -21.387 1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.991 -20.643 1.030 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.142 -23.310 0.249 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.211 -20.585 -0.619 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.359 -21.590 -1.510 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.621 -24.596 -0.899 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.027 -23.850 -1.667 1.00 0.00 H new ATOM 399 N VAL A 26 -5.270 -16.469 -0.745 1.00 0.00 N ATOM 400 CA VAL A 26 -6.534 -15.995 -0.193 1.00 0.00 C ATOM 401 C VAL A 26 -7.443 -15.470 -1.297 1.00 0.00 C ATOM 402 O VAL A 26 -7.039 -14.629 -2.099 1.00 0.00 O ATOM 403 CB VAL A 26 -6.321 -14.886 0.856 1.00 0.00 C ATOM 404 CG1 VAL A 26 -6.332 -15.467 2.261 1.00 0.00 C ATOM 405 CG2 VAL A 26 -5.025 -14.136 0.591 1.00 0.00 C ATOM 0 H VAL A 26 -4.741 -15.763 -1.257 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.005 -16.848 0.295 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.145 -14.177 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.180 -14.668 2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.292 -15.949 2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.532 -16.201 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.895 -13.358 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.186 -14.831 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.064 -13.681 -0.399 1.00 0.00 H new ATOM 415 N SER A 27 -8.670 -15.975 -1.335 1.00 0.00 N ATOM 416 CA SER A 27 -9.634 -15.558 -2.345 1.00 0.00 C ATOM 417 C SER A 27 -9.828 -14.045 -2.324 1.00 0.00 C ATOM 418 O SER A 27 -10.224 -13.448 -3.324 1.00 0.00 O ATOM 419 CB SER A 27 -10.977 -16.257 -2.121 1.00 0.00 C ATOM 420 OG SER A 27 -11.052 -17.467 -2.854 1.00 0.00 O ATOM 0 H SER A 27 -9.020 -16.673 -0.679 1.00 0.00 H new ATOM 0 HA SER A 27 -9.241 -15.843 -3.321 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.110 -16.463 -1.059 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.789 -15.595 -2.422 1.00 0.00 H new ATOM 0 HG SER A 27 -11.919 -17.894 -2.692 1.00 0.00 H new ATOM 426 N GLU A 28 -9.547 -13.431 -1.178 1.00 0.00 N ATOM 427 CA GLU A 28 -9.692 -11.987 -1.030 1.00 0.00 C ATOM 428 C GLU A 28 -8.587 -11.413 -0.150 1.00 0.00 C ATOM 429 O GLU A 28 -8.031 -12.109 0.700 1.00 0.00 O ATOM 430 CB GLU A 28 -11.068 -11.652 -0.446 1.00 0.00 C ATOM 431 CG GLU A 28 -11.086 -11.534 1.070 1.00 0.00 C ATOM 432 CD GLU A 28 -12.318 -12.165 1.689 1.00 0.00 C ATOM 433 OE1 GLU A 28 -12.882 -13.094 1.072 1.00 0.00 O ATOM 434 OE2 GLU A 28 -12.719 -11.731 2.789 1.00 0.00 O ATOM 0 H GLU A 28 -9.218 -13.910 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.607 -11.532 -2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.415 -10.713 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.777 -12.423 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.194 -12.010 1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.042 -10.481 1.349 1.00 0.00 H new ATOM 441 N PHE A 29 -8.270 -10.140 -0.363 1.00 0.00 N ATOM 442 CA PHE A 29 -7.225 -9.474 0.406 1.00 0.00 C ATOM 443 C PHE A 29 -7.813 -8.459 1.380 1.00 0.00 C ATOM 444 O PHE A 29 -8.995 -8.122 1.309 1.00 0.00 O ATOM 445 CB PHE A 29 -6.239 -8.780 -0.534 1.00 0.00 C ATOM 446 CG PHE A 29 -6.040 -9.507 -1.831 1.00 0.00 C ATOM 447 CD1 PHE A 29 -6.158 -10.886 -1.893 1.00 0.00 C ATOM 448 CD2 PHE A 29 -5.734 -8.810 -2.989 1.00 0.00 C ATOM 449 CE1 PHE A 29 -5.975 -11.557 -3.087 1.00 0.00 C ATOM 450 CE2 PHE A 29 -5.551 -9.475 -4.185 1.00 0.00 C ATOM 451 CZ PHE A 29 -5.671 -10.850 -4.235 1.00 0.00 C ATOM 0 H PHE A 29 -8.721 -9.549 -1.061 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.700 -10.235 0.984 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.596 -7.771 -0.742 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.277 -8.680 -0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.396 -11.443 -0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.638 -7.735 -2.956 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.069 -12.632 -3.123 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.314 -8.920 -5.081 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.528 -11.372 -5.170 1.00 0.00 H new ATOM 461 N ASP A 30 -6.971 -7.976 2.289 1.00 0.00 N ATOM 462 CA ASP A 30 -7.391 -6.997 3.285 1.00 0.00 C ATOM 463 C ASP A 30 -6.442 -5.803 3.306 1.00 0.00 C ATOM 464 O ASP A 30 -5.227 -5.967 3.412 1.00 0.00 O ATOM 465 CB ASP A 30 -7.445 -7.642 4.672 1.00 0.00 C ATOM 466 CG ASP A 30 -8.804 -8.240 4.982 1.00 0.00 C ATOM 467 OD1 ASP A 30 -9.264 -9.102 4.203 1.00 0.00 O ATOM 468 OD2 ASP A 30 -9.407 -7.846 6.001 1.00 0.00 O ATOM 0 H ASP A 30 -5.990 -8.248 2.356 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.386 -6.644 3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.686 -8.421 4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.200 -6.895 5.427 1.00 0.00 H new ATOM 473 N VAL A 31 -7.003 -4.603 3.211 1.00 0.00 N ATOM 474 CA VAL A 31 -6.203 -3.384 3.224 1.00 0.00 C ATOM 475 C VAL A 31 -6.645 -2.458 4.349 1.00 0.00 C ATOM 476 O VAL A 31 -7.824 -2.122 4.463 1.00 0.00 O ATOM 477 CB VAL A 31 -6.298 -2.632 1.886 1.00 0.00 C ATOM 478 CG1 VAL A 31 -5.147 -1.647 1.744 1.00 0.00 C ATOM 479 CG2 VAL A 31 -6.318 -3.612 0.724 1.00 0.00 C ATOM 0 H VAL A 31 -8.007 -4.448 3.124 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.168 -3.684 3.385 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.231 -2.068 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.231 -1.124 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.184 -0.924 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.200 -2.186 1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.386 -3.062 -0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.403 -4.205 0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.180 -4.273 0.820 1.00 0.00 H new ATOM 489 N TYR A 32 -5.694 -2.054 5.184 1.00 0.00 N ATOM 490 CA TYR A 32 -5.992 -1.174 6.306 1.00 0.00 C ATOM 491 C TYR A 32 -5.172 0.110 6.240 1.00 0.00 C ATOM 492 O TYR A 32 -3.943 0.080 6.309 1.00 0.00 O ATOM 493 CB TYR A 32 -5.722 -1.898 7.624 1.00 0.00 C ATOM 494 CG TYR A 32 -6.776 -2.922 7.978 1.00 0.00 C ATOM 495 CD1 TYR A 32 -8.069 -2.531 8.299 1.00 0.00 C ATOM 496 CD2 TYR A 32 -6.478 -4.279 7.985 1.00 0.00 C ATOM 497 CE1 TYR A 32 -9.037 -3.463 8.622 1.00 0.00 C ATOM 498 CE2 TYR A 32 -7.441 -5.218 8.306 1.00 0.00 C ATOM 499 CZ TYR A 32 -8.718 -4.805 8.623 1.00 0.00 C ATOM 500 OH TYR A 32 -9.678 -5.737 8.944 1.00 0.00 O ATOM 0 H TYR A 32 -4.713 -2.321 5.105 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.046 -0.903 6.250 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.752 -2.392 7.566 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.657 -1.163 8.426 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.322 -1.481 8.296 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.479 -4.605 7.736 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.038 -3.142 8.872 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.194 -6.269 8.308 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.290 -6.636 8.896 1.00 0.00 H new ATOM 510 N PHE A 33 -5.863 1.237 6.117 1.00 0.00 N ATOM 511 CA PHE A 33 -5.205 2.536 6.056 1.00 0.00 C ATOM 512 C PHE A 33 -5.827 3.491 7.068 1.00 0.00 C ATOM 513 O PHE A 33 -7.018 3.795 7.001 1.00 0.00 O ATOM 514 CB PHE A 33 -5.298 3.120 4.644 1.00 0.00 C ATOM 515 CG PHE A 33 -6.651 3.678 4.308 1.00 0.00 C ATOM 516 CD1 PHE A 33 -6.979 4.981 4.646 1.00 0.00 C ATOM 517 CD2 PHE A 33 -7.592 2.901 3.652 1.00 0.00 C ATOM 518 CE1 PHE A 33 -8.221 5.500 4.335 1.00 0.00 C ATOM 519 CE2 PHE A 33 -8.836 3.414 3.338 1.00 0.00 C ATOM 520 CZ PHE A 33 -9.151 4.714 3.679 1.00 0.00 C ATOM 0 H PHE A 33 -6.880 1.277 6.057 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.152 2.402 6.304 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.553 3.909 4.537 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.046 2.343 3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.256 5.598 5.158 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.351 1.883 3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.465 6.517 4.604 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.561 2.799 2.826 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.123 5.117 3.434 1.00 0.00 H new ATOM 530 N GLU A 34 -5.011 3.962 8.003 1.00 0.00 N ATOM 531 CA GLU A 34 -5.479 4.887 9.030 1.00 0.00 C ATOM 532 C GLU A 34 -4.437 5.960 9.318 1.00 0.00 C ATOM 533 O GLU A 34 -3.306 5.652 9.693 1.00 0.00 O ATOM 534 CB GLU A 34 -5.819 4.127 10.312 1.00 0.00 C ATOM 535 CG GLU A 34 -5.023 2.844 10.487 1.00 0.00 C ATOM 536 CD GLU A 34 -5.797 1.615 10.052 1.00 0.00 C ATOM 537 OE1 GLU A 34 -6.034 1.463 8.835 1.00 0.00 O ATOM 538 OE2 GLU A 34 -6.165 0.804 10.927 1.00 0.00 O ATOM 0 H GLU A 34 -4.023 3.719 8.072 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.378 5.377 8.658 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.638 4.777 11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.882 3.888 10.312 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.101 2.911 9.910 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.737 2.738 11.534 1.00 0.00 H new ATOM 545 N GLY A 35 -4.821 7.221 9.151 1.00 0.00 N ATOM 546 CA GLY A 35 -3.901 8.314 9.408 1.00 0.00 C ATOM 547 C GLY A 35 -2.685 8.279 8.502 1.00 0.00 C ATOM 548 O GLY A 35 -2.540 9.121 7.617 1.00 0.00 O ATOM 0 H GLY A 35 -5.751 7.506 8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.422 9.262 9.274 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.576 8.274 10.448 1.00 0.00 H new ATOM 552 N SER A 36 -1.814 7.301 8.723 1.00 0.00 N ATOM 553 CA SER A 36 -0.604 7.154 7.921 1.00 0.00 C ATOM 554 C SER A 36 -0.051 5.740 8.040 1.00 0.00 C ATOM 555 O SER A 36 1.146 5.512 7.859 1.00 0.00 O ATOM 556 CB SER A 36 0.457 8.163 8.360 1.00 0.00 C ATOM 557 OG SER A 36 -0.139 9.338 8.881 1.00 0.00 O ATOM 0 H SER A 36 -1.923 6.596 9.452 1.00 0.00 H new ATOM 0 HA SER A 36 -0.863 7.345 6.880 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.101 7.713 9.116 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.092 8.419 7.512 1.00 0.00 H new ATOM 0 HG SER A 36 0.412 10.115 8.649 1.00 0.00 H new ATOM 563 N ASP A 37 -0.929 4.793 8.349 1.00 0.00 N ATOM 564 CA ASP A 37 -0.526 3.401 8.496 1.00 0.00 C ATOM 565 C ASP A 37 -1.192 2.521 7.444 1.00 0.00 C ATOM 566 O ASP A 37 -2.402 2.292 7.487 1.00 0.00 O ATOM 567 CB ASP A 37 -0.874 2.891 9.896 1.00 0.00 C ATOM 568 CG ASP A 37 -0.832 1.378 9.987 1.00 0.00 C ATOM 569 OD1 ASP A 37 0.283 0.817 10.051 1.00 0.00 O ATOM 570 OD2 ASP A 37 -1.913 0.753 9.994 1.00 0.00 O ATOM 0 H ASP A 37 -1.923 4.964 8.502 1.00 0.00 H new ATOM 0 HA ASP A 37 0.553 3.349 8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.176 3.315 10.618 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.869 3.241 10.170 1.00 0.00 H new ATOM 575 N PHE A 38 -0.391 2.023 6.507 1.00 0.00 N ATOM 576 CA PHE A 38 -0.895 1.157 5.450 1.00 0.00 C ATOM 577 C PHE A 38 -0.486 -0.286 5.712 1.00 0.00 C ATOM 578 O PHE A 38 0.693 -0.630 5.644 1.00 0.00 O ATOM 579 CB PHE A 38 -0.369 1.599 4.084 1.00 0.00 C ATOM 580 CG PHE A 38 -0.789 0.690 2.962 1.00 0.00 C ATOM 581 CD1 PHE A 38 -0.120 -0.501 2.727 1.00 0.00 C ATOM 582 CD2 PHE A 38 -1.857 1.026 2.145 1.00 0.00 C ATOM 583 CE1 PHE A 38 -0.509 -1.339 1.699 1.00 0.00 C ATOM 584 CE2 PHE A 38 -2.249 0.192 1.115 1.00 0.00 C ATOM 585 CZ PHE A 38 -1.573 -0.992 0.892 1.00 0.00 C ATOM 0 H PHE A 38 0.611 2.206 6.459 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.983 1.230 5.445 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.722 2.609 3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.720 1.643 4.119 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.715 -0.777 3.354 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.389 1.950 2.315 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.020 -2.265 1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.083 0.466 0.485 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.877 -1.645 0.087 1.00 0.00 H new ATOM 595 N LYS A 39 -1.467 -1.126 6.017 1.00 0.00 N ATOM 596 CA LYS A 39 -1.201 -2.529 6.292 1.00 0.00 C ATOM 597 C LYS A 39 -1.985 -3.430 5.347 1.00 0.00 C ATOM 598 O LYS A 39 -3.204 -3.308 5.217 1.00 0.00 O ATOM 599 CB LYS A 39 -1.554 -2.862 7.744 1.00 0.00 C ATOM 600 CG LYS A 39 -0.504 -2.408 8.745 1.00 0.00 C ATOM 601 CD LYS A 39 -0.122 -3.528 9.700 1.00 0.00 C ATOM 602 CE LYS A 39 -0.294 -3.107 11.151 1.00 0.00 C ATOM 603 NZ LYS A 39 1.012 -3.004 11.859 1.00 0.00 N ATOM 0 H LYS A 39 -2.450 -0.860 6.080 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.138 -2.707 6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.507 -2.396 7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.692 -3.939 7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.383 -2.064 8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.884 -1.559 9.312 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.738 -4.405 9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.914 -3.819 9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.806 -2.145 11.192 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.930 -3.828 11.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.850 -2.985 12.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.603 -3.825 11.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.496 -2.131 11.569 1.00 0.00 H new ATOM 617 N PHE A 40 -1.277 -4.349 4.707 1.00 0.00 N ATOM 618 CA PHE A 40 -1.899 -5.293 3.790 1.00 0.00 C ATOM 619 C PHE A 40 -1.985 -6.660 4.454 1.00 0.00 C ATOM 620 O PHE A 40 -1.076 -7.056 5.190 1.00 0.00 O ATOM 621 CB PHE A 40 -1.107 -5.383 2.485 1.00 0.00 C ATOM 622 CG PHE A 40 -1.783 -6.204 1.425 1.00 0.00 C ATOM 623 CD1 PHE A 40 -3.005 -5.814 0.901 1.00 0.00 C ATOM 624 CD2 PHE A 40 -1.196 -7.367 0.953 1.00 0.00 C ATOM 625 CE1 PHE A 40 -3.628 -6.569 -0.075 1.00 0.00 C ATOM 626 CE2 PHE A 40 -1.814 -8.125 -0.023 1.00 0.00 C ATOM 627 CZ PHE A 40 -3.032 -7.726 -0.538 1.00 0.00 C ATOM 0 H PHE A 40 -0.268 -4.461 4.806 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.903 -4.944 3.550 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.940 -4.377 2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.127 -5.811 2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.476 -4.910 1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.244 -7.685 1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.580 -6.254 -0.475 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.345 -9.029 -0.383 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.517 -8.317 -1.301 1.00 0.00 H new ATOM 637 N TYR A 41 -3.070 -7.379 4.197 1.00 0.00 N ATOM 638 CA TYR A 41 -3.260 -8.698 4.783 1.00 0.00 C ATOM 639 C TYR A 41 -3.762 -9.693 3.745 1.00 0.00 C ATOM 640 O TYR A 41 -4.941 -9.699 3.392 1.00 0.00 O ATOM 641 CB TYR A 41 -4.242 -8.621 5.952 1.00 0.00 C ATOM 642 CG TYR A 41 -3.621 -8.114 7.233 1.00 0.00 C ATOM 643 CD1 TYR A 41 -2.616 -8.830 7.872 1.00 0.00 C ATOM 644 CD2 TYR A 41 -4.040 -6.918 7.806 1.00 0.00 C ATOM 645 CE1 TYR A 41 -2.045 -8.371 9.043 1.00 0.00 C ATOM 646 CE2 TYR A 41 -3.474 -6.451 8.977 1.00 0.00 C ATOM 647 CZ TYR A 41 -2.478 -7.181 9.591 1.00 0.00 C ATOM 648 OH TYR A 41 -1.914 -6.721 10.759 1.00 0.00 O ATOM 0 H TYR A 41 -3.829 -7.072 3.589 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.294 -9.046 5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.071 -7.968 5.677 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.661 -9.611 6.129 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.275 -9.762 7.445 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.821 -6.345 7.328 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.265 -8.940 9.527 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.810 -5.520 9.409 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.945 -6.634 10.642 1.00 0.00 H new ATOM 658 N ALA A 42 -2.857 -10.535 3.271 1.00 0.00 N ATOM 659 CA ALA A 42 -3.190 -11.548 2.280 1.00 0.00 C ATOM 660 C ALA A 42 -2.304 -12.768 2.473 1.00 0.00 C ATOM 661 O ALA A 42 -1.096 -12.700 2.259 1.00 0.00 O ATOM 662 CB ALA A 42 -3.036 -11.000 0.868 1.00 0.00 C ATOM 0 H ALA A 42 -1.879 -10.537 3.559 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.232 -11.837 2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.291 -11.776 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.702 -10.148 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.005 -10.683 0.711 1.00 0.00 H new ATOM 668 N LYS A 43 -2.899 -13.882 2.881 1.00 0.00 N ATOM 669 CA LYS A 43 -2.130 -15.097 3.099 1.00 0.00 C ATOM 670 C LYS A 43 -0.876 -14.774 3.916 1.00 0.00 C ATOM 671 O LYS A 43 -0.697 -13.636 4.350 1.00 0.00 O ATOM 672 CB LYS A 43 -1.766 -15.718 1.745 1.00 0.00 C ATOM 673 CG LYS A 43 -0.384 -15.330 1.236 1.00 0.00 C ATOM 674 CD LYS A 43 -0.035 -16.058 -0.049 1.00 0.00 C ATOM 675 CE LYS A 43 1.435 -16.447 -0.085 1.00 0.00 C ATOM 676 NZ LYS A 43 1.773 -17.435 0.975 1.00 0.00 N ATOM 0 H LYS A 43 -3.899 -13.968 3.065 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.723 -15.818 3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.819 -16.803 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.511 -15.418 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.348 -14.254 1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.362 -15.558 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.652 -16.952 -0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.266 -15.422 -0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.676 -16.866 -1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.050 -15.556 0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.495 -18.093 0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.141 -16.936 1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.919 -17.967 1.238 1.00 0.00 H new ATOM 690 N PRO A 44 0.015 -15.757 4.147 1.00 0.00 N ATOM 691 CA PRO A 44 1.237 -15.534 4.916 1.00 0.00 C ATOM 692 C PRO A 44 1.856 -14.157 4.658 1.00 0.00 C ATOM 693 O PRO A 44 2.545 -13.608 5.518 1.00 0.00 O ATOM 694 CB PRO A 44 2.155 -16.641 4.410 1.00 0.00 C ATOM 695 CG PRO A 44 1.238 -17.767 4.063 1.00 0.00 C ATOM 696 CD PRO A 44 -0.091 -17.157 3.686 1.00 0.00 C ATOM 0 HA PRO A 44 1.059 -15.555 5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.727 -16.315 3.542 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.875 -16.938 5.173 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.642 -18.352 3.237 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.124 -18.446 4.908 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.265 -17.211 2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.919 -17.675 4.169 1.00 0.00 H new ATOM 704 N TYR A 45 1.606 -13.610 3.470 1.00 0.00 N ATOM 705 CA TYR A 45 2.139 -12.302 3.100 1.00 0.00 C ATOM 706 C TYR A 45 1.593 -11.203 4.005 1.00 0.00 C ATOM 707 O TYR A 45 0.384 -10.978 4.068 1.00 0.00 O ATOM 708 CB TYR A 45 1.792 -11.969 1.646 1.00 0.00 C ATOM 709 CG TYR A 45 2.573 -12.757 0.619 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.848 -13.234 0.891 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.030 -13.016 -0.633 1.00 0.00 C ATOM 712 CE1 TYR A 45 4.561 -13.945 -0.055 1.00 0.00 C ATOM 713 CE2 TYR A 45 2.734 -13.728 -1.584 1.00 0.00 C ATOM 714 CZ TYR A 45 3.998 -14.189 -1.291 1.00 0.00 C ATOM 715 OH TYR A 45 4.704 -14.896 -2.239 1.00 0.00 O ATOM 0 H TYR A 45 1.038 -14.053 2.748 1.00 0.00 H new ATOM 0 HA TYR A 45 3.222 -12.350 3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.728 -12.147 1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.965 -10.906 1.479 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.290 -13.046 1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.040 -12.654 -0.867 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.553 -14.308 0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.296 -13.922 -2.552 1.00 0.00 H new ATOM 0 HH TYR A 45 4.165 -14.981 -3.053 1.00 0.00 H new ATOM 725 N PHE A 46 2.495 -10.507 4.684 1.00 0.00 N ATOM 726 CA PHE A 46 2.115 -9.413 5.567 1.00 0.00 C ATOM 727 C PHE A 46 2.870 -8.150 5.172 1.00 0.00 C ATOM 728 O PHE A 46 4.102 -8.132 5.178 1.00 0.00 O ATOM 729 CB PHE A 46 2.407 -9.771 7.025 1.00 0.00 C ATOM 730 CG PHE A 46 2.099 -8.659 7.986 1.00 0.00 C ATOM 731 CD1 PHE A 46 1.119 -7.725 7.692 1.00 0.00 C ATOM 732 CD2 PHE A 46 2.788 -8.548 9.183 1.00 0.00 C ATOM 733 CE1 PHE A 46 0.832 -6.700 8.574 1.00 0.00 C ATOM 734 CE2 PHE A 46 2.505 -7.525 10.069 1.00 0.00 C ATOM 735 CZ PHE A 46 1.526 -6.600 9.763 1.00 0.00 C ATOM 0 H PHE A 46 3.499 -10.682 4.640 1.00 0.00 H new ATOM 0 HA PHE A 46 1.044 -9.236 5.468 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.824 -10.650 7.299 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.458 -10.043 7.121 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.573 -7.799 6.763 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.555 -9.269 9.427 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.066 -5.978 8.333 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.049 -7.449 10.999 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.304 -5.800 10.453 1.00 0.00 H new ATOM 745 N LEU A 47 2.138 -7.100 4.812 1.00 0.00 N ATOM 746 CA LEU A 47 2.773 -5.852 4.399 1.00 0.00 C ATOM 747 C LEU A 47 2.433 -4.701 5.336 1.00 0.00 C ATOM 748 O LEU A 47 1.281 -4.284 5.436 1.00 0.00 O ATOM 749 CB LEU A 47 2.363 -5.488 2.971 1.00 0.00 C ATOM 750 CG LEU A 47 3.514 -5.414 1.966 1.00 0.00 C ATOM 751 CD1 LEU A 47 2.993 -5.093 0.573 1.00 0.00 C ATOM 752 CD2 LEU A 47 4.538 -4.377 2.403 1.00 0.00 C ATOM 0 H LEU A 47 1.118 -7.087 4.797 1.00 0.00 H new ATOM 0 HA LEU A 47 3.850 -6.014 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.640 -6.223 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.855 -4.524 2.990 1.00 0.00 H new ATOM 0 HG LEU A 47 4.001 -6.389 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.828 -5.045 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.299 -5.871 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.478 -4.132 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.349 -4.338 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.061 -3.399 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.938 -4.650 3.379 1.00 0.00 H new ATOM 764 N ARG A 48 3.451 -4.181 6.010 1.00 0.00 N ATOM 765 CA ARG A 48 3.270 -3.063 6.924 1.00 0.00 C ATOM 766 C ARG A 48 4.102 -1.874 6.460 1.00 0.00 C ATOM 767 O ARG A 48 5.331 -1.904 6.518 1.00 0.00 O ATOM 768 CB ARG A 48 3.663 -3.463 8.347 1.00 0.00 C ATOM 769 CG ARG A 48 3.781 -2.283 9.300 1.00 0.00 C ATOM 770 CD ARG A 48 5.200 -2.127 9.820 1.00 0.00 C ATOM 771 NE ARG A 48 5.442 -2.949 11.004 1.00 0.00 N ATOM 772 CZ ARG A 48 5.066 -2.603 12.230 1.00 0.00 C ATOM 773 NH1 ARG A 48 4.441 -1.452 12.438 1.00 0.00 N ATOM 774 NH2 ARG A 48 5.316 -3.410 13.253 1.00 0.00 N ATOM 0 H ARG A 48 4.412 -4.517 5.940 1.00 0.00 H new ATOM 0 HA ARG A 48 2.217 -2.780 6.927 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.923 -4.162 8.737 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.616 -3.992 8.317 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.477 -1.369 8.789 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.098 -2.421 10.138 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.906 -2.403 9.037 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.385 -1.080 10.061 1.00 0.00 H new ATOM 0 HE ARG A 48 5.927 -3.838 10.882 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.247 -0.828 11.655 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.154 -1.191 13.381 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.797 -4.296 13.098 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.027 -3.144 14.195 1.00 0.00 H new ATOM 788 N LEU A 49 3.427 -0.832 5.986 1.00 0.00 N ATOM 789 CA LEU A 49 4.110 0.359 5.499 1.00 0.00 C ATOM 790 C LEU A 49 3.626 1.611 6.221 1.00 0.00 C ATOM 791 O LEU A 49 2.424 1.852 6.331 1.00 0.00 O ATOM 792 CB LEU A 49 3.895 0.515 3.991 1.00 0.00 C ATOM 793 CG LEU A 49 4.260 -0.712 3.152 1.00 0.00 C ATOM 794 CD1 LEU A 49 3.833 -0.513 1.706 1.00 0.00 C ATOM 795 CD2 LEU A 49 5.754 -0.989 3.235 1.00 0.00 C ATOM 0 H LEU A 49 2.409 -0.789 5.929 1.00 0.00 H new ATOM 0 HA LEU A 49 5.174 0.238 5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.848 0.759 3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.484 1.363 3.642 1.00 0.00 H new ATOM 0 HG LEU A 49 3.728 -1.575 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.100 -1.395 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.754 -0.362 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.338 0.361 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.996 -1.865 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.305 -0.127 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.033 -1.174 4.272 1.00 0.00 H new ATOM 807 N THR A 50 4.574 2.409 6.701 1.00 0.00 N ATOM 808 CA THR A 50 4.253 3.646 7.402 1.00 0.00 C ATOM 809 C THR A 50 4.457 4.847 6.487 1.00 0.00 C ATOM 810 O THR A 50 5.589 5.216 6.175 1.00 0.00 O ATOM 811 CB THR A 50 5.122 3.821 8.663 1.00 0.00 C ATOM 812 OG1 THR A 50 5.251 2.591 9.386 1.00 0.00 O ATOM 813 CG2 THR A 50 4.524 4.866 9.592 1.00 0.00 C ATOM 0 H THR A 50 5.573 2.220 6.617 1.00 0.00 H new ATOM 0 HA THR A 50 3.207 3.585 7.702 1.00 0.00 H new ATOM 0 HB THR A 50 6.107 4.145 8.325 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.809 2.735 10.179 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.155 4.972 10.475 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.463 5.822 9.073 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.525 4.554 9.896 1.00 0.00 H new ATOM 821 N LEU A 51 3.355 5.449 6.053 1.00 0.00 N ATOM 822 CA LEU A 51 3.418 6.606 5.165 1.00 0.00 C ATOM 823 C LEU A 51 4.061 7.801 5.861 1.00 0.00 C ATOM 824 O LEU A 51 3.869 8.015 7.058 1.00 0.00 O ATOM 825 CB LEU A 51 2.015 6.972 4.677 1.00 0.00 C ATOM 826 CG LEU A 51 1.252 5.832 4.000 1.00 0.00 C ATOM 827 CD1 LEU A 51 -0.231 6.158 3.916 1.00 0.00 C ATOM 828 CD2 LEU A 51 1.819 5.562 2.616 1.00 0.00 C ATOM 0 H LEU A 51 2.410 5.157 6.300 1.00 0.00 H new ATOM 0 HA LEU A 51 4.037 6.341 4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.431 7.326 5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.095 7.803 3.976 1.00 0.00 H new ATOM 0 HG LEU A 51 1.371 4.932 4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.757 5.336 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.629 6.302 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.371 7.070 3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.265 4.748 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.730 6.460 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.869 5.284 2.701 1.00 0.00 H new ATOM 840 N PRO A 52 4.838 8.596 5.109 1.00 0.00 N ATOM 841 CA PRO A 52 5.519 9.780 5.646 1.00 0.00 C ATOM 842 C PRO A 52 4.545 10.902 5.983 1.00 0.00 C ATOM 843 O PRO A 52 4.835 11.763 6.814 1.00 0.00 O ATOM 844 CB PRO A 52 6.449 10.203 4.507 1.00 0.00 C ATOM 845 CG PRO A 52 5.811 9.669 3.273 1.00 0.00 C ATOM 846 CD PRO A 52 5.112 8.400 3.676 1.00 0.00 C ATOM 0 HA PRO A 52 6.039 9.564 6.579 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.550 11.287 4.462 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.450 9.795 4.642 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.104 10.388 2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.557 9.474 2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.193 8.251 3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.739 7.525 3.504 1.00 0.00 H new ATOM 854 N GLY A 53 3.386 10.885 5.333 1.00 0.00 N ATOM 855 CA GLY A 53 2.382 11.902 5.577 1.00 0.00 C ATOM 856 C GLY A 53 1.108 11.321 6.156 1.00 0.00 C ATOM 857 O GLY A 53 1.157 10.465 7.038 1.00 0.00 O ATOM 0 H GLY A 53 3.125 10.183 4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.783 12.649 6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.153 12.416 4.643 1.00 0.00 H new ATOM 861 N ARG A 54 -0.035 11.783 5.662 1.00 0.00 N ATOM 862 CA ARG A 54 -1.322 11.295 6.142 1.00 0.00 C ATOM 863 C ARG A 54 -2.310 11.134 4.992 1.00 0.00 C ATOM 864 O ARG A 54 -2.464 12.031 4.163 1.00 0.00 O ATOM 865 CB ARG A 54 -1.892 12.248 7.194 1.00 0.00 C ATOM 866 CG ARG A 54 -0.917 12.564 8.317 1.00 0.00 C ATOM 867 CD ARG A 54 -1.577 13.380 9.417 1.00 0.00 C ATOM 868 NE ARG A 54 -0.597 13.946 10.339 1.00 0.00 N ATOM 869 CZ ARG A 54 -0.079 13.277 11.364 1.00 0.00 C ATOM 870 NH1 ARG A 54 -0.452 12.028 11.600 1.00 0.00 N ATOM 871 NH2 ARG A 54 0.814 13.859 12.153 1.00 0.00 N ATOM 0 H ARG A 54 -0.097 12.492 4.932 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.164 10.317 6.596 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.188 13.178 6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.794 11.809 7.620 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.529 11.635 8.735 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.065 13.114 7.916 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.162 14.184 8.971 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.273 12.748 9.970 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.293 14.908 10.188 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.138 11.578 10.994 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.053 11.517 12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.104 14.820 11.973 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.211 13.345 12.940 1.00 0.00 H new ATOM 885 N ILE A 55 -2.985 9.989 4.954 1.00 0.00 N ATOM 886 CA ILE A 55 -3.965 9.718 3.909 1.00 0.00 C ATOM 887 C ILE A 55 -5.367 9.631 4.502 1.00 0.00 C ATOM 888 O ILE A 55 -5.609 8.869 5.438 1.00 0.00 O ATOM 889 CB ILE A 55 -3.644 8.403 3.175 1.00 0.00 C ATOM 890 CG1 ILE A 55 -2.235 8.455 2.579 1.00 0.00 C ATOM 891 CG2 ILE A 55 -4.673 8.132 2.092 1.00 0.00 C ATOM 892 CD1 ILE A 55 -2.023 9.608 1.621 1.00 0.00 C ATOM 0 H ILE A 55 -2.871 9.236 5.633 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.921 10.541 3.195 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.683 7.586 3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.510 8.529 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.036 7.519 2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.430 7.199 1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.663 8.053 2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.666 8.950 1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.003 9.581 1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.724 9.525 0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.190 10.550 2.143 1.00 0.00 H new ATOM 904 N VAL A 56 -6.279 10.445 3.978 1.00 0.00 N ATOM 905 CA VAL A 56 -7.647 10.492 4.487 1.00 0.00 C ATOM 906 C VAL A 56 -8.429 9.212 4.206 1.00 0.00 C ATOM 907 O VAL A 56 -8.058 8.407 3.350 1.00 0.00 O ATOM 908 CB VAL A 56 -8.413 11.696 3.902 1.00 0.00 C ATOM 909 CG1 VAL A 56 -8.496 11.596 2.388 1.00 0.00 C ATOM 910 CG2 VAL A 56 -9.801 11.805 4.514 1.00 0.00 C ATOM 0 H VAL A 56 -6.096 11.081 3.202 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.561 10.599 5.568 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.862 12.603 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.040 12.455 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.490 11.582 1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.017 10.679 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.321 12.662 4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.364 10.896 4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.714 11.936 5.593 1.00 0.00 H new ATOM 920 N GLU A 57 -9.527 9.049 4.942 1.00 0.00 N ATOM 921 CA GLU A 57 -10.401 7.891 4.800 1.00 0.00 C ATOM 922 C GLU A 57 -11.828 8.341 4.498 1.00 0.00 C ATOM 923 O GLU A 57 -12.386 9.172 5.214 1.00 0.00 O ATOM 924 CB GLU A 57 -10.375 7.050 6.080 1.00 0.00 C ATOM 925 CG GLU A 57 -11.314 7.558 7.164 1.00 0.00 C ATOM 926 CD GLU A 57 -11.217 6.756 8.447 1.00 0.00 C ATOM 927 OE1 GLU A 57 -11.840 5.676 8.520 1.00 0.00 O ATOM 928 OE2 GLU A 57 -10.521 7.209 9.380 1.00 0.00 O ATOM 0 H GLU A 57 -9.833 9.715 5.651 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.042 7.282 3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.640 6.022 5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.358 7.032 6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.086 8.603 7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.339 7.524 6.796 1.00 0.00 H new ATOM 935 N ASN A 58 -12.416 7.798 3.437 1.00 0.00 N ATOM 936 CA ASN A 58 -13.779 8.173 3.063 1.00 0.00 C ATOM 937 C ASN A 58 -14.473 7.118 2.192 1.00 0.00 C ATOM 938 O ASN A 58 -15.579 7.354 1.705 1.00 0.00 O ATOM 939 CB ASN A 58 -13.769 9.515 2.330 1.00 0.00 C ATOM 940 CG ASN A 58 -14.592 10.570 3.043 1.00 0.00 C ATOM 941 OD1 ASN A 58 -15.649 10.979 2.562 1.00 0.00 O ATOM 942 ND2 ASN A 58 -14.109 11.017 4.196 1.00 0.00 N ATOM 0 H ASN A 58 -11.980 7.106 2.827 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.348 8.251 3.989 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.741 9.865 2.232 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.156 9.377 1.320 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.618 11.728 4.721 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.229 10.649 4.557 1.00 0.00 H new ATOM 949 N GLY A 59 -13.843 5.961 1.994 1.00 0.00 N ATOM 950 CA GLY A 59 -14.453 4.922 1.182 1.00 0.00 C ATOM 951 C GLY A 59 -14.462 5.250 -0.301 1.00 0.00 C ATOM 952 O GLY A 59 -14.900 4.439 -1.118 1.00 0.00 O ATOM 0 H GLY A 59 -12.928 5.726 2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.916 3.986 1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.477 4.761 1.518 1.00 0.00 H new ATOM 956 N SER A 60 -13.982 6.438 -0.655 1.00 0.00 N ATOM 957 CA SER A 60 -13.942 6.860 -2.050 1.00 0.00 C ATOM 958 C SER A 60 -12.719 6.288 -2.759 1.00 0.00 C ATOM 959 O SER A 60 -12.840 5.411 -3.614 1.00 0.00 O ATOM 960 CB SER A 60 -13.924 8.387 -2.143 1.00 0.00 C ATOM 961 OG SER A 60 -15.110 8.876 -2.745 1.00 0.00 O ATOM 0 H SER A 60 -13.616 7.125 0.004 1.00 0.00 H new ATOM 0 HA SER A 60 -14.838 6.480 -2.541 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.816 8.814 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.059 8.709 -2.723 1.00 0.00 H new ATOM 0 HG SER A 60 -15.074 9.854 -2.791 1.00 0.00 H new ATOM 967 N GLU A 61 -11.544 6.783 -2.378 1.00 0.00 N ATOM 968 CA GLU A 61 -10.283 6.328 -2.958 1.00 0.00 C ATOM 969 C GLU A 61 -10.451 5.909 -4.413 1.00 0.00 C ATOM 970 O GLU A 61 -11.371 6.354 -5.099 1.00 0.00 O ATOM 971 CB GLU A 61 -9.720 5.160 -2.145 1.00 0.00 C ATOM 972 CG GLU A 61 -10.038 5.245 -0.660 1.00 0.00 C ATOM 973 CD GLU A 61 -10.790 4.029 -0.155 1.00 0.00 C ATOM 974 OE1 GLU A 61 -10.179 2.942 -0.079 1.00 0.00 O ATOM 975 OE2 GLU A 61 -11.989 4.164 0.166 1.00 0.00 O ATOM 0 H GLU A 61 -11.439 7.505 -1.665 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.585 7.165 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.119 4.226 -2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.638 5.125 -2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.110 5.353 -0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.631 6.139 -0.470 1.00 0.00 H new ATOM 982 N GLN A 62 -9.545 5.059 -4.882 1.00 0.00 N ATOM 983 CA GLN A 62 -9.594 4.589 -6.260 1.00 0.00 C ATOM 984 C GLN A 62 -8.455 3.624 -6.563 1.00 0.00 C ATOM 985 O GLN A 62 -7.285 3.986 -6.477 1.00 0.00 O ATOM 986 CB GLN A 62 -9.533 5.779 -7.215 1.00 0.00 C ATOM 987 CG GLN A 62 -10.859 6.068 -7.897 1.00 0.00 C ATOM 988 CD GLN A 62 -11.093 5.188 -9.110 1.00 0.00 C ATOM 989 OE1 GLN A 62 -10.342 5.242 -10.083 1.00 0.00 O ATOM 990 NE2 GLN A 62 -12.138 4.371 -9.057 1.00 0.00 N ATOM 0 H GLN A 62 -8.772 4.683 -4.332 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.533 4.053 -6.399 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.215 6.664 -6.663 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.775 5.588 -7.975 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.670 5.921 -7.184 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.887 7.114 -8.201 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.735 4.359 -8.230 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.344 3.755 -9.844 1.00 0.00 H new ATOM 999 N GLY A 63 -8.810 2.397 -6.929 1.00 0.00 N ATOM 1000 CA GLY A 63 -7.811 1.394 -7.248 1.00 0.00 C ATOM 1001 C GLY A 63 -8.423 0.154 -7.867 1.00 0.00 C ATOM 1002 O GLY A 63 -9.637 0.087 -8.060 1.00 0.00 O ATOM 0 H GLY A 63 -9.776 2.078 -7.011 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.079 1.818 -7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.273 1.118 -6.341 1.00 0.00 H new ATOM 1006 N SER A 64 -7.588 -0.831 -8.179 1.00 0.00 N ATOM 1007 CA SER A 64 -8.070 -2.068 -8.780 1.00 0.00 C ATOM 1008 C SER A 64 -7.023 -3.174 -8.689 1.00 0.00 C ATOM 1009 O SER A 64 -5.819 -2.912 -8.716 1.00 0.00 O ATOM 1010 CB SER A 64 -8.453 -1.832 -10.241 1.00 0.00 C ATOM 1011 OG SER A 64 -8.268 -3.004 -11.015 1.00 0.00 O ATOM 0 H SER A 64 -6.580 -0.797 -8.027 1.00 0.00 H new ATOM 0 HA SER A 64 -8.951 -2.388 -8.224 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.494 -1.515 -10.300 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.849 -1.023 -10.652 1.00 0.00 H new ATOM 0 HG SER A 64 -8.522 -2.826 -11.945 1.00 0.00 H new ATOM 1017 N TYR A 65 -7.495 -4.413 -8.587 1.00 0.00 N ATOM 1018 CA TYR A 65 -6.611 -5.570 -8.499 1.00 0.00 C ATOM 1019 C TYR A 65 -6.755 -6.445 -9.738 1.00 0.00 C ATOM 1020 O TYR A 65 -7.868 -6.748 -10.167 1.00 0.00 O ATOM 1021 CB TYR A 65 -6.926 -6.384 -7.241 1.00 0.00 C ATOM 1022 CG TYR A 65 -6.455 -7.820 -7.308 1.00 0.00 C ATOM 1023 CD1 TYR A 65 -5.101 -8.130 -7.271 1.00 0.00 C ATOM 1024 CD2 TYR A 65 -7.365 -8.864 -7.404 1.00 0.00 C ATOM 1025 CE1 TYR A 65 -4.669 -9.442 -7.329 1.00 0.00 C ATOM 1026 CE2 TYR A 65 -6.941 -10.178 -7.462 1.00 0.00 C ATOM 1027 CZ TYR A 65 -5.593 -10.462 -7.426 1.00 0.00 C ATOM 1028 OH TYR A 65 -5.166 -11.770 -7.483 1.00 0.00 O ATOM 0 H TYR A 65 -8.489 -4.642 -8.563 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.582 -5.215 -8.440 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.463 -5.900 -6.381 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.003 -6.372 -7.072 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.375 -7.334 -7.196 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.422 -8.646 -7.434 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.613 -9.667 -7.299 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.662 -10.978 -7.535 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.942 -12.365 -7.548 1.00 0.00 H new ATOM 1038 N ASP A 66 -5.627 -6.845 -10.315 1.00 0.00 N ATOM 1039 CA ASP A 66 -5.644 -7.679 -11.511 1.00 0.00 C ATOM 1040 C ASP A 66 -4.836 -8.957 -11.312 1.00 0.00 C ATOM 1041 O ASP A 66 -3.656 -8.914 -10.964 1.00 0.00 O ATOM 1042 CB ASP A 66 -5.101 -6.902 -12.711 1.00 0.00 C ATOM 1043 CG ASP A 66 -6.186 -6.555 -13.710 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -6.871 -5.529 -13.512 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -6.353 -7.310 -14.691 1.00 0.00 O ATOM 0 H ASP A 66 -4.695 -6.607 -9.976 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.680 -7.959 -11.703 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.625 -5.986 -12.362 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.331 -7.493 -13.206 1.00 0.00 H new ATOM 1050 N ALA A 67 -5.481 -10.094 -11.553 1.00 0.00 N ATOM 1051 CA ALA A 67 -4.832 -11.391 -11.422 1.00 0.00 C ATOM 1052 C ALA A 67 -4.045 -11.722 -12.685 1.00 0.00 C ATOM 1053 O ALA A 67 -2.993 -12.360 -12.630 1.00 0.00 O ATOM 1054 CB ALA A 67 -5.851 -12.485 -11.137 1.00 0.00 C ATOM 0 H ALA A 67 -6.458 -10.142 -11.842 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.142 -11.339 -10.580 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.340 -13.443 -11.044 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.375 -12.261 -10.208 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.569 -12.535 -11.955 1.00 0.00 H new ATOM 1060 N ASP A 68 -4.574 -11.285 -13.823 1.00 0.00 N ATOM 1061 CA ASP A 68 -3.941 -11.530 -15.114 1.00 0.00 C ATOM 1062 C ASP A 68 -2.487 -11.064 -15.123 1.00 0.00 C ATOM 1063 O ASP A 68 -1.590 -11.812 -15.511 1.00 0.00 O ATOM 1064 CB ASP A 68 -4.719 -10.822 -16.224 1.00 0.00 C ATOM 1065 CG ASP A 68 -5.277 -11.790 -17.249 1.00 0.00 C ATOM 1066 OD1 ASP A 68 -6.274 -12.475 -16.937 1.00 0.00 O ATOM 1067 OD2 ASP A 68 -4.717 -11.863 -18.362 1.00 0.00 O ATOM 0 H ASP A 68 -5.445 -10.756 -13.877 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.952 -12.606 -15.290 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.537 -10.252 -15.784 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.065 -10.107 -16.723 1.00 0.00 H new ATOM 1072 N LYS A 69 -2.259 -9.825 -14.697 1.00 0.00 N ATOM 1073 CA LYS A 69 -0.908 -9.269 -14.666 1.00 0.00 C ATOM 1074 C LYS A 69 -0.268 -9.458 -13.293 1.00 0.00 C ATOM 1075 O LYS A 69 0.931 -9.237 -13.123 1.00 0.00 O ATOM 1076 CB LYS A 69 -0.925 -7.781 -15.033 1.00 0.00 C ATOM 1077 CG LYS A 69 -2.280 -7.114 -14.852 1.00 0.00 C ATOM 1078 CD LYS A 69 -2.261 -5.672 -15.334 1.00 0.00 C ATOM 1079 CE LYS A 69 -2.956 -4.747 -14.350 1.00 0.00 C ATOM 1080 NZ LYS A 69 -4.355 -4.451 -14.761 1.00 0.00 N ATOM 0 H LYS A 69 -2.987 -9.189 -14.370 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.312 -9.807 -15.403 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.190 -7.258 -14.421 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.613 -7.670 -16.071 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.038 -7.672 -15.402 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.563 -7.143 -13.800 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.230 -5.348 -15.474 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.751 -5.606 -16.306 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.957 -5.204 -13.361 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.396 -3.815 -14.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.954 -4.365 -13.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.379 -3.559 -15.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.711 -5.222 -15.361 1.00 0.00 H new ATOM 1094 N GLY A 70 -1.073 -9.863 -12.317 1.00 0.00 N ATOM 1095 CA GLY A 70 -0.561 -10.068 -10.975 1.00 0.00 C ATOM 1096 C GLY A 70 -0.039 -8.785 -10.357 1.00 0.00 C ATOM 1097 O GLY A 70 1.145 -8.674 -10.040 1.00 0.00 O ATOM 0 H GLY A 70 -2.069 -10.053 -12.431 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.351 -10.477 -10.345 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.239 -10.807 -11.003 1.00 0.00 H new ATOM 1101 N ILE A 71 -0.931 -7.813 -10.186 1.00 0.00 N ATOM 1102 CA ILE A 71 -0.560 -6.530 -9.602 1.00 0.00 C ATOM 1103 C ILE A 71 -1.754 -5.840 -8.955 1.00 0.00 C ATOM 1104 O ILE A 71 -2.799 -5.661 -9.581 1.00 0.00 O ATOM 1105 CB ILE A 71 0.047 -5.580 -10.652 1.00 0.00 C ATOM 1106 CG1 ILE A 71 1.087 -6.311 -11.502 1.00 0.00 C ATOM 1107 CG2 ILE A 71 0.671 -4.372 -9.971 1.00 0.00 C ATOM 1108 CD1 ILE A 71 1.917 -5.383 -12.363 1.00 0.00 C ATOM 0 H ILE A 71 -1.915 -7.890 -10.444 1.00 0.00 H new ATOM 0 HA ILE A 71 0.187 -6.750 -8.840 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.751 -5.236 -11.309 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.749 -6.876 -10.846 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.580 -7.033 -12.142 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.096 -3.709 -10.724 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.093 -3.837 -9.407 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.458 -4.703 -9.293 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.635 -5.966 -12.940 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.264 -4.836 -13.043 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.451 -4.677 -11.727 1.00 0.00 H new ATOM 1120 N PHE A 72 -1.584 -5.447 -7.698 1.00 0.00 N ATOM 1121 CA PHE A 72 -2.636 -4.765 -6.957 1.00 0.00 C ATOM 1122 C PHE A 72 -2.259 -3.305 -6.718 1.00 0.00 C ATOM 1123 O PHE A 72 -1.292 -3.014 -6.014 1.00 0.00 O ATOM 1124 CB PHE A 72 -2.890 -5.464 -5.621 1.00 0.00 C ATOM 1125 CG PHE A 72 -3.725 -4.656 -4.670 1.00 0.00 C ATOM 1126 CD1 PHE A 72 -4.571 -3.666 -5.141 1.00 0.00 C ATOM 1127 CD2 PHE A 72 -3.664 -4.887 -3.305 1.00 0.00 C ATOM 1128 CE1 PHE A 72 -5.342 -2.921 -4.271 1.00 0.00 C ATOM 1129 CE2 PHE A 72 -4.433 -4.145 -2.429 1.00 0.00 C ATOM 1130 CZ PHE A 72 -5.273 -3.161 -2.911 1.00 0.00 C ATOM 0 H PHE A 72 -0.723 -5.590 -7.170 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.550 -4.800 -7.550 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.386 -6.417 -5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.933 -5.689 -5.150 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.628 -3.474 -6.202 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.009 -5.655 -2.922 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.998 -2.152 -4.652 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.377 -4.335 -1.367 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.875 -2.580 -2.228 1.00 0.00 H new ATOM 1140 N THR A 73 -3.021 -2.393 -7.314 1.00 0.00 N ATOM 1141 CA THR A 73 -2.755 -0.966 -7.167 1.00 0.00 C ATOM 1142 C THR A 73 -3.958 -0.237 -6.578 1.00 0.00 C ATOM 1143 O THR A 73 -5.072 -0.346 -7.089 1.00 0.00 O ATOM 1144 CB THR A 73 -2.391 -0.323 -8.518 1.00 0.00 C ATOM 1145 OG1 THR A 73 -1.822 -1.285 -9.417 1.00 0.00 O ATOM 1146 CG2 THR A 73 -1.392 0.807 -8.328 1.00 0.00 C ATOM 0 H THR A 73 -3.825 -2.615 -7.901 1.00 0.00 H new ATOM 0 HA THR A 73 -1.909 -0.871 -6.486 1.00 0.00 H new ATOM 0 HB THR A 73 -3.316 0.067 -8.943 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.602 -0.849 -10.267 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.150 1.246 -9.296 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.825 1.571 -7.682 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.484 0.416 -7.870 1.00 0.00 H new ATOM 1154 N ILE A 74 -3.728 0.497 -5.492 1.00 0.00 N ATOM 1155 CA ILE A 74 -4.800 1.232 -4.827 1.00 0.00 C ATOM 1156 C ILE A 74 -4.386 2.666 -4.501 1.00 0.00 C ATOM 1157 O ILE A 74 -3.422 2.897 -3.771 1.00 0.00 O ATOM 1158 CB ILE A 74 -5.230 0.517 -3.529 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -6.097 1.433 -2.658 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -4.006 0.048 -2.758 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.483 1.669 -3.218 1.00 0.00 C ATOM 0 H ILE A 74 -2.812 0.598 -5.055 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.641 1.265 -5.520 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.829 -0.353 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.186 0.997 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.593 2.393 -2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.322 -0.455 -1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.432 -0.645 -3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.385 0.907 -2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.039 2.326 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.404 2.134 -4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.006 0.717 -3.309 1.00 0.00 H new ATOM 1173 N ARG A 75 -5.136 3.626 -5.040 1.00 0.00 N ATOM 1174 CA ARG A 75 -4.871 5.043 -4.806 1.00 0.00 C ATOM 1175 C ARG A 75 -5.675 5.546 -3.614 1.00 0.00 C ATOM 1176 O ARG A 75 -6.798 5.097 -3.377 1.00 0.00 O ATOM 1177 CB ARG A 75 -5.211 5.867 -6.049 1.00 0.00 C ATOM 1178 CG ARG A 75 -4.825 5.191 -7.354 1.00 0.00 C ATOM 1179 CD ARG A 75 -5.051 6.109 -8.545 1.00 0.00 C ATOM 1180 NE ARG A 75 -3.811 6.733 -8.997 1.00 0.00 N ATOM 1181 CZ ARG A 75 -3.616 7.171 -10.238 1.00 0.00 C ATOM 1182 NH1 ARG A 75 -4.577 7.055 -11.143 1.00 0.00 N ATOM 1183 NH2 ARG A 75 -2.460 7.726 -10.573 1.00 0.00 N ATOM 0 H ARG A 75 -5.937 3.445 -5.645 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.809 5.159 -4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.282 6.070 -6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.705 6.830 -5.985 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.777 4.895 -7.315 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.409 4.280 -7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.490 5.539 -9.364 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.769 6.883 -8.275 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.052 6.839 -8.324 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.468 6.629 -10.889 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.425 7.392 -12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.718 7.818 -9.879 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.312 8.061 -11.525 1.00 0.00 H new ATOM 1197 N LEU A 76 -5.088 6.466 -2.858 1.00 0.00 N ATOM 1198 CA LEU A 76 -5.745 7.010 -1.677 1.00 0.00 C ATOM 1199 C LEU A 76 -5.623 8.532 -1.609 1.00 0.00 C ATOM 1200 O LEU A 76 -4.596 9.101 -1.971 1.00 0.00 O ATOM 1201 CB LEU A 76 -5.135 6.387 -0.427 1.00 0.00 C ATOM 1202 CG LEU A 76 -5.130 4.857 -0.400 1.00 0.00 C ATOM 1203 CD1 LEU A 76 -4.141 4.345 0.635 1.00 0.00 C ATOM 1204 CD2 LEU A 76 -6.527 4.326 -0.114 1.00 0.00 C ATOM 0 H LEU A 76 -4.161 6.850 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.806 6.767 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.108 6.740 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.682 6.748 0.444 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.818 4.495 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.151 3.255 0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.140 4.697 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.422 4.715 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.506 3.236 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.866 4.696 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.211 4.664 -0.892 1.00 0.00 H new ATOM 1216 N PRO A 77 -6.680 9.208 -1.133 1.00 0.00 N ATOM 1217 CA PRO A 77 -6.698 10.670 -1.009 1.00 0.00 C ATOM 1218 C PRO A 77 -5.827 11.174 0.141 1.00 0.00 C ATOM 1219 O PRO A 77 -5.523 10.435 1.080 1.00 0.00 O ATOM 1220 CB PRO A 77 -8.168 10.988 -0.744 1.00 0.00 C ATOM 1221 CG PRO A 77 -8.738 9.748 -0.140 1.00 0.00 C ATOM 1222 CD PRO A 77 -7.940 8.592 -0.685 1.00 0.00 C ATOM 0 HA PRO A 77 -6.296 11.155 -1.899 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.271 11.837 -0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.686 11.250 -1.667 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.674 9.783 0.948 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.793 9.644 -0.394 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.764 7.834 0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.459 8.102 -1.508 1.00 0.00 H new ATOM 1230 N LYS A 78 -5.438 12.443 0.069 1.00 0.00 N ATOM 1231 CA LYS A 78 -4.607 13.045 1.104 1.00 0.00 C ATOM 1232 C LYS A 78 -5.452 13.812 2.112 1.00 0.00 C ATOM 1233 O LYS A 78 -6.557 14.258 1.804 1.00 0.00 O ATOM 1234 CB LYS A 78 -3.578 13.988 0.478 1.00 0.00 C ATOM 1235 CG LYS A 78 -2.868 13.404 -0.731 1.00 0.00 C ATOM 1236 CD LYS A 78 -1.360 13.563 -0.620 1.00 0.00 C ATOM 1237 CE LYS A 78 -0.639 12.272 -0.973 1.00 0.00 C ATOM 1238 NZ LYS A 78 0.829 12.376 -0.742 1.00 0.00 N ATOM 0 H LYS A 78 -5.685 13.073 -0.694 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.091 12.239 1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.077 14.912 0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.836 14.252 1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.118 12.347 -0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.222 13.898 -1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.027 14.361 -1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.098 13.862 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.044 11.455 -0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.826 12.026 -2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.331 11.772 -1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.131 13.364 -0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.051 12.065 0.225 1.00 0.00 H new ATOM 1252 N GLU A 79 -4.915 13.974 3.315 1.00 0.00 N ATOM 1253 CA GLU A 79 -5.605 14.699 4.372 1.00 0.00 C ATOM 1254 C GLU A 79 -5.305 16.193 4.276 1.00 0.00 C ATOM 1255 O GLU A 79 -5.943 17.010 4.940 1.00 0.00 O ATOM 1256 CB GLU A 79 -5.184 14.164 5.742 1.00 0.00 C ATOM 1257 CG GLU A 79 -5.747 14.958 6.906 1.00 0.00 C ATOM 1258 CD GLU A 79 -5.543 14.263 8.238 1.00 0.00 C ATOM 1259 OE1 GLU A 79 -4.387 14.204 8.705 1.00 0.00 O ATOM 1260 OE2 GLU A 79 -6.540 13.775 8.812 1.00 0.00 O ATOM 0 H GLU A 79 -4.000 13.611 3.583 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.678 14.551 4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.506 13.127 5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.096 14.166 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.272 15.939 6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.812 15.124 6.746 1.00 0.00 H new ATOM 1267 N THR A 80 -4.329 16.542 3.439 1.00 0.00 N ATOM 1268 CA THR A 80 -3.940 17.933 3.245 1.00 0.00 C ATOM 1269 C THR A 80 -3.466 18.170 1.813 1.00 0.00 C ATOM 1270 O THR A 80 -2.638 17.423 1.291 1.00 0.00 O ATOM 1271 CB THR A 80 -2.823 18.346 4.222 1.00 0.00 C ATOM 1272 OG1 THR A 80 -3.302 18.392 5.572 1.00 0.00 O ATOM 1273 CG2 THR A 80 -2.264 19.715 3.864 1.00 0.00 C ATOM 0 H THR A 80 -3.793 15.875 2.883 1.00 0.00 H new ATOM 0 HA THR A 80 -4.822 18.543 3.441 1.00 0.00 H new ATOM 0 HB THR A 80 -2.039 17.594 4.140 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.571 18.655 6.170 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.477 19.983 4.569 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.853 19.688 2.855 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.061 20.457 3.911 1.00 0.00 H new ATOM 1281 N PRO A 81 -3.996 19.213 1.160 1.00 0.00 N ATOM 1282 CA PRO A 81 -3.639 19.556 -0.223 1.00 0.00 C ATOM 1283 C PRO A 81 -2.175 19.956 -0.372 1.00 0.00 C ATOM 1284 O PRO A 81 -1.610 20.617 0.498 1.00 0.00 O ATOM 1285 CB PRO A 81 -4.548 20.746 -0.545 1.00 0.00 C ATOM 1286 CG PRO A 81 -4.929 21.310 0.780 1.00 0.00 C ATOM 1287 CD PRO A 81 -4.992 20.140 1.720 1.00 0.00 C ATOM 0 HA PRO A 81 -3.769 18.705 -0.892 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.029 21.486 -1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.427 20.430 -1.107 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.197 22.044 1.118 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.891 21.820 0.726 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.745 20.429 2.742 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.987 19.696 1.746 1.00 0.00 H new ATOM 1295 N GLY A 82 -1.568 19.552 -1.485 1.00 0.00 N ATOM 1296 CA GLY A 82 -0.177 19.881 -1.734 1.00 0.00 C ATOM 1297 C GLY A 82 0.778 18.988 -0.968 1.00 0.00 C ATOM 1298 O GLY A 82 1.994 19.171 -1.028 1.00 0.00 O ATOM 0 H GLY A 82 -2.016 19.003 -2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.028 19.795 -2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.002 20.920 -1.458 1.00 0.00 H new ATOM 1302 N GLN A 83 0.226 18.019 -0.245 1.00 0.00 N ATOM 1303 CA GLN A 83 1.036 17.094 0.538 1.00 0.00 C ATOM 1304 C GLN A 83 1.658 16.025 -0.357 1.00 0.00 C ATOM 1305 O GLN A 83 0.958 15.354 -1.115 1.00 0.00 O ATOM 1306 CB GLN A 83 0.185 16.435 1.624 1.00 0.00 C ATOM 1307 CG GLN A 83 0.839 15.216 2.252 1.00 0.00 C ATOM 1308 CD GLN A 83 0.636 15.154 3.753 1.00 0.00 C ATOM 1309 OE1 GLN A 83 -0.415 15.538 4.265 1.00 0.00 O ATOM 1310 NE2 GLN A 83 1.645 14.670 4.467 1.00 0.00 N ATOM 0 H GLN A 83 -0.779 17.854 -0.185 1.00 0.00 H new ATOM 0 HA GLN A 83 1.840 17.660 1.009 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.025 17.167 2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.774 16.143 1.195 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.431 14.314 1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.907 15.228 2.034 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.499 14.363 4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.567 14.605 5.482 1.00 0.00 H new ATOM 1319 N HIS A 84 2.975 15.877 -0.265 1.00 0.00 N ATOM 1320 CA HIS A 84 3.688 14.892 -1.069 1.00 0.00 C ATOM 1321 C HIS A 84 4.577 14.012 -0.192 1.00 0.00 C ATOM 1322 O HIS A 84 5.465 14.504 0.503 1.00 0.00 O ATOM 1323 CB HIS A 84 4.521 15.599 -2.146 1.00 0.00 C ATOM 1324 CG HIS A 84 5.785 14.883 -2.516 1.00 0.00 C ATOM 1325 ND1 HIS A 84 6.927 15.538 -2.927 1.00 0.00 N ATOM 1326 CD2 HIS A 84 6.084 13.562 -2.533 1.00 0.00 C ATOM 1327 CE1 HIS A 84 7.873 14.652 -3.182 1.00 0.00 C ATOM 1328 NE2 HIS A 84 7.388 13.446 -2.949 1.00 0.00 N ATOM 0 H HIS A 84 3.569 16.425 0.357 1.00 0.00 H new ATOM 0 HA HIS A 84 2.957 14.247 -1.556 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.910 15.719 -3.041 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.773 16.600 -1.795 1.00 0.00 H new ATOM 0 HD1 HIS A 84 7.026 16.549 -3.020 1.00 0.00 H new ATOM 0 HD2 HIS A 84 5.421 12.751 -2.269 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.873 14.876 -3.523 1.00 0.00 H new ATOM 1337 N PHE A 85 4.330 12.707 -0.240 1.00 0.00 N ATOM 1338 CA PHE A 85 5.104 11.751 0.537 1.00 0.00 C ATOM 1339 C PHE A 85 6.471 11.526 -0.104 1.00 0.00 C ATOM 1340 O PHE A 85 6.621 10.687 -0.990 1.00 0.00 O ATOM 1341 CB PHE A 85 4.346 10.425 0.634 1.00 0.00 C ATOM 1342 CG PHE A 85 3.068 10.506 1.424 1.00 0.00 C ATOM 1343 CD1 PHE A 85 2.527 11.734 1.782 1.00 0.00 C ATOM 1344 CD2 PHE A 85 2.405 9.351 1.806 1.00 0.00 C ATOM 1345 CE1 PHE A 85 1.352 11.803 2.504 1.00 0.00 C ATOM 1346 CE2 PHE A 85 1.228 9.416 2.528 1.00 0.00 C ATOM 1347 CZ PHE A 85 0.701 10.644 2.879 1.00 0.00 C ATOM 0 H PHE A 85 3.597 12.288 -0.812 1.00 0.00 H new ATOM 0 HA PHE A 85 5.252 12.153 1.539 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.117 10.075 -0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.997 9.679 1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.031 12.645 1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.813 8.388 1.536 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.942 12.764 2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.721 8.508 2.818 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.217 10.697 3.445 1.00 0.00 H new ATOM 1357 N GLU A 86 7.461 12.292 0.343 1.00 0.00 N ATOM 1358 CA GLU A 86 8.814 12.190 -0.195 1.00 0.00 C ATOM 1359 C GLU A 86 9.474 10.866 0.182 1.00 0.00 C ATOM 1360 O GLU A 86 8.959 10.111 1.006 1.00 0.00 O ATOM 1361 CB GLU A 86 9.670 13.355 0.308 1.00 0.00 C ATOM 1362 CG GLU A 86 10.062 14.341 -0.781 1.00 0.00 C ATOM 1363 CD GLU A 86 11.517 14.756 -0.696 1.00 0.00 C ATOM 1364 OE1 GLU A 86 12.388 13.862 -0.650 1.00 0.00 O ATOM 1365 OE2 GLU A 86 11.787 15.976 -0.675 1.00 0.00 O ATOM 0 H GLU A 86 7.352 12.991 1.077 1.00 0.00 H new ATOM 0 HA GLU A 86 8.740 12.232 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.123 13.886 1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.574 12.957 0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.872 13.893 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.431 15.227 -0.708 1.00 0.00 H new ATOM 1372 N GLY A 87 10.626 10.606 -0.427 1.00 0.00 N ATOM 1373 CA GLY A 87 11.368 9.388 -0.156 1.00 0.00 C ATOM 1374 C GLY A 87 10.483 8.188 0.117 1.00 0.00 C ATOM 1375 O GLY A 87 10.783 7.380 0.995 1.00 0.00 O ATOM 0 H GLY A 87 11.063 11.224 -1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.013 9.168 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.019 9.552 0.703 1.00 0.00 H new ATOM 1379 N LEU A 88 9.396 8.058 -0.635 1.00 0.00 N ATOM 1380 CA LEU A 88 8.486 6.932 -0.455 1.00 0.00 C ATOM 1381 C LEU A 88 9.220 5.616 -0.677 1.00 0.00 C ATOM 1382 O LEU A 88 9.320 4.795 0.234 1.00 0.00 O ATOM 1383 CB LEU A 88 7.301 7.041 -1.414 1.00 0.00 C ATOM 1384 CG LEU A 88 5.980 7.487 -0.781 1.00 0.00 C ATOM 1385 CD1 LEU A 88 4.807 7.097 -1.665 1.00 0.00 C ATOM 1386 CD2 LEU A 88 5.819 6.889 0.608 1.00 0.00 C ATOM 0 H LEU A 88 9.124 8.712 -1.369 1.00 0.00 H new ATOM 0 HA LEU A 88 8.109 6.956 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.560 7.744 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.148 6.071 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 88 5.997 8.573 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.877 7.422 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.911 7.574 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.791 6.014 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.874 7.219 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.826 5.801 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.642 7.218 1.243 1.00 0.00 H new ATOM 1398 N ASN A 89 9.745 5.416 -1.887 1.00 0.00 N ATOM 1399 CA ASN A 89 10.479 4.194 -2.206 1.00 0.00 C ATOM 1400 C ASN A 89 11.923 4.282 -1.719 1.00 0.00 C ATOM 1401 O ASN A 89 12.768 3.471 -2.097 1.00 0.00 O ATOM 1402 CB ASN A 89 10.456 3.941 -3.715 1.00 0.00 C ATOM 1403 CG ASN A 89 10.276 2.475 -4.055 1.00 0.00 C ATOM 1404 OD1 ASN A 89 11.161 1.848 -4.639 1.00 0.00 O ATOM 1405 ND2 ASN A 89 9.125 1.919 -3.693 1.00 0.00 N ATOM 0 H ASN A 89 9.675 6.081 -2.657 1.00 0.00 H new ATOM 0 HA ASN A 89 9.991 3.364 -1.695 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.647 4.517 -4.164 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.386 4.301 -4.155 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.947 0.936 -3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.419 2.476 -3.211 1.00 0.00 H new