USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 635 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 29 ASN : amide:sc= 0.112 K(o=0.63,f=-0.56) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -135:sc= 0.52 (180deg=0) USER MOD Set 2.1: A 23 THR OG1 : rot -48:sc= 1.3 USER MOD Set 2.2: A 26 THR OG1 : rot -160:sc= 1.43 USER MOD Single : A 3 THR OG1 : rot -170:sc= 0.00286 USER MOD Single : A 8 THR OG1 : rot 64:sc= 1.24 USER MOD Single : A 13 GLN : amide:sc= -0.0078 X(o=-0.0078,f=-0.017) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -170:sc=-0.00235 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.776 K(o=-0.78,f=-2.1) USER MOD Single : A 40 MET CE :methyl 138:sc= -0.592 (180deg=-2.77!) USER MOD Single : A 41 ASN : amide:sc= -0.176 K(o=-0.18,f=-3!) USER MOD Single : A 45 SER OG : rot 71:sc= 1.25 USER MOD Single : A 49 HIS : no HD1:sc= -0.498 X(o=-0.5,f=-0.072) USER MOD Single : A 50 TYR OH : rot 130:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= -0.0159 (180deg=-0.153) USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= -0.012 (180deg=-0.194) USER MOD Single : A 60 GLN : amide:sc= -0.403 K(o=-0.4,f=-4.4!) USER MOD Single : A 61 LYS NZ :NH3+ 167:sc=-0.00377 (180deg=-0.154) USER MOD Single : A 64 ASN : amide:sc= -1.01 K(o=-1,f=-3.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -106:sc= 1.27 (180deg=0.498) USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= 0.323 (180deg=0.253) USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -10.451 3.748 6.789 1.00 0.00 N ATOM 21 CA PRO A 2 -10.155 5.144 7.192 1.00 0.00 C ATOM 22 C PRO A 2 -8.844 5.687 6.584 1.00 0.00 C ATOM 23 O PRO A 2 -8.239 6.613 7.133 1.00 0.00 O ATOM 24 CB PRO A 2 -10.079 4.999 8.730 1.00 0.00 C ATOM 25 CG PRO A 2 -9.458 3.649 8.963 1.00 0.00 C ATOM 26 CD PRO A 2 -9.781 2.800 7.735 1.00 0.00 C ATOM 0 HA PRO A 2 -10.894 5.866 6.844 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.476 5.792 9.172 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.069 5.061 9.182 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.380 3.737 9.100 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.858 3.190 9.867 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.878 2.375 7.298 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.434 1.966 7.990 1.00 0.00 H new ATOM 34 N THR A 3 -8.450 5.129 5.422 1.00 0.00 N ATOM 35 CA THR A 3 -7.146 5.405 4.799 1.00 0.00 C ATOM 36 C THR A 3 -7.099 6.805 4.169 1.00 0.00 C ATOM 37 O THR A 3 -6.361 7.637 4.671 1.00 0.00 O ATOM 38 CB THR A 3 -6.757 4.313 3.758 1.00 0.00 C ATOM 39 OG1 THR A 3 -7.792 4.173 2.773 1.00 0.00 O ATOM 40 CG2 THR A 3 -6.516 2.964 4.447 1.00 0.00 C ATOM 0 H THR A 3 -9.027 4.476 4.892 1.00 0.00 H new ATOM 0 HA THR A 3 -6.406 5.377 5.599 1.00 0.00 H new ATOM 0 HB THR A 3 -5.835 4.626 3.269 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.613 3.383 2.221 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.246 2.217 3.700 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.706 3.064 5.170 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.425 2.651 4.961 1.00 0.00 H new ATOM 48 N LEU A 4 -7.918 7.072 3.110 1.00 0.00 N ATOM 49 CA LEU A 4 -7.965 8.401 2.422 1.00 0.00 C ATOM 50 C LEU A 4 -8.204 9.536 3.440 1.00 0.00 C ATOM 51 O LEU A 4 -7.581 10.592 3.355 1.00 0.00 O ATOM 52 CB LEU A 4 -9.090 8.438 1.342 1.00 0.00 C ATOM 53 CG LEU A 4 -8.895 7.538 0.082 1.00 0.00 C ATOM 54 CD1 LEU A 4 -10.167 7.525 -0.805 1.00 0.00 C ATOM 55 CD2 LEU A 4 -7.662 7.993 -0.727 1.00 0.00 C ATOM 0 H LEU A 4 -8.557 6.383 2.712 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.001 8.548 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.027 8.153 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.204 9.469 1.007 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.722 6.517 0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.998 6.889 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.008 7.137 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.390 8.539 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.544 7.353 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.799 9.025 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.771 7.923 -0.103 1.00 0.00 H new ATOM 67 N ASP A 5 -9.090 9.255 4.415 1.00 0.00 N ATOM 68 CA ASP A 5 -9.416 10.158 5.539 1.00 0.00 C ATOM 69 C ASP A 5 -8.160 10.529 6.356 1.00 0.00 C ATOM 70 O ASP A 5 -7.927 11.704 6.647 1.00 0.00 O ATOM 71 CB ASP A 5 -10.475 9.482 6.450 1.00 0.00 C ATOM 72 CG ASP A 5 -10.889 10.342 7.662 1.00 0.00 C ATOM 73 OD1 ASP A 5 -11.758 11.231 7.512 1.00 0.00 O ATOM 74 OD2 ASP A 5 -10.348 10.139 8.774 1.00 0.00 O ATOM 0 H ASP A 5 -9.610 8.378 4.445 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.820 11.084 5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.361 9.256 5.857 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.080 8.531 6.808 1.00 0.00 H new ATOM 79 N ALA A 6 -7.353 9.510 6.700 1.00 0.00 N ATOM 80 CA ALA A 6 -6.115 9.687 7.489 1.00 0.00 C ATOM 81 C ALA A 6 -4.967 10.258 6.637 1.00 0.00 C ATOM 82 O ALA A 6 -4.070 10.930 7.162 1.00 0.00 O ATOM 83 CB ALA A 6 -5.702 8.350 8.116 1.00 0.00 C ATOM 0 H ALA A 6 -7.538 8.541 6.441 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.322 10.410 8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.789 8.487 8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.498 7.994 8.770 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.525 7.618 7.328 1.00 0.00 H new ATOM 89 N LEU A 7 -5.015 9.998 5.315 1.00 0.00 N ATOM 90 CA LEU A 7 -3.970 10.425 4.375 1.00 0.00 C ATOM 91 C LEU A 7 -4.144 11.912 4.010 1.00 0.00 C ATOM 92 O LEU A 7 -3.156 12.592 3.803 1.00 0.00 O ATOM 93 CB LEU A 7 -3.970 9.551 3.082 1.00 0.00 C ATOM 94 CG LEU A 7 -3.622 8.035 3.245 1.00 0.00 C ATOM 95 CD1 LEU A 7 -3.658 7.292 1.883 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.269 7.846 3.958 1.00 0.00 C ATOM 0 H LEU A 7 -5.780 9.487 4.874 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.009 10.292 4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.957 9.624 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.260 9.987 2.379 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.390 7.588 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.411 6.241 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.656 7.372 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.932 7.741 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.055 6.782 4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.481 8.322 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.313 8.300 4.948 1.00 0.00 H new ATOM 108 N THR A 8 -5.405 12.418 3.956 1.00 0.00 N ATOM 109 CA THR A 8 -5.682 13.817 3.519 1.00 0.00 C ATOM 110 C THR A 8 -4.915 14.889 4.372 1.00 0.00 C ATOM 111 O THR A 8 -4.297 15.768 3.775 1.00 0.00 O ATOM 112 CB THR A 8 -7.220 14.139 3.456 1.00 0.00 C ATOM 113 OG1 THR A 8 -7.880 13.216 2.568 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.492 15.576 2.973 1.00 0.00 C ATOM 0 H THR A 8 -6.239 11.886 4.206 1.00 0.00 H new ATOM 0 HA THR A 8 -5.294 13.881 2.502 1.00 0.00 H new ATOM 0 HB THR A 8 -7.611 14.039 4.469 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.812 12.308 2.930 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.567 15.753 2.945 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.025 16.284 3.657 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.077 15.709 1.974 1.00 0.00 H new ATOM 122 N PRO A 9 -4.912 14.825 5.763 1.00 0.00 N ATOM 123 CA PRO A 9 -4.055 15.708 6.612 1.00 0.00 C ATOM 124 C PRO A 9 -2.543 15.604 6.293 1.00 0.00 C ATOM 125 O PRO A 9 -1.817 16.597 6.403 1.00 0.00 O ATOM 126 CB PRO A 9 -4.343 15.219 8.058 1.00 0.00 C ATOM 127 CG PRO A 9 -5.706 14.612 7.975 1.00 0.00 C ATOM 128 CD PRO A 9 -5.763 13.953 6.619 1.00 0.00 C ATOM 0 HA PRO A 9 -4.290 16.759 6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.602 14.491 8.387 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.317 16.044 8.770 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.863 13.886 8.773 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.482 15.371 8.077 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.382 12.932 6.654 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.785 13.899 6.243 1.00 0.00 H new ATOM 136 N ILE A 10 -2.094 14.395 5.879 1.00 0.00 N ATOM 137 CA ILE A 10 -0.682 14.141 5.510 1.00 0.00 C ATOM 138 C ILE A 10 -0.325 14.922 4.236 1.00 0.00 C ATOM 139 O ILE A 10 0.725 15.542 4.162 1.00 0.00 O ATOM 140 CB ILE A 10 -0.386 12.607 5.277 1.00 0.00 C ATOM 141 CG1 ILE A 10 -0.752 11.760 6.539 1.00 0.00 C ATOM 142 CG2 ILE A 10 1.089 12.364 4.841 1.00 0.00 C ATOM 143 CD1 ILE A 10 0.031 12.103 7.793 1.00 0.00 C ATOM 0 H ILE A 10 -2.695 13.575 5.792 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.069 14.476 6.347 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.024 12.275 4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.815 11.886 6.747 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.595 10.706 6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.253 11.297 4.691 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.286 12.896 3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.762 12.729 5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.295 11.462 8.612 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.095 11.948 7.612 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.144 13.146 8.057 1.00 0.00 H new ATOM 155 N PHE A 11 -1.231 14.892 3.249 1.00 0.00 N ATOM 156 CA PHE A 11 -1.057 15.594 1.963 1.00 0.00 C ATOM 157 C PHE A 11 -1.141 17.122 2.169 1.00 0.00 C ATOM 158 O PHE A 11 -0.340 17.878 1.617 1.00 0.00 O ATOM 159 CB PHE A 11 -2.122 15.117 0.932 1.00 0.00 C ATOM 160 CG PHE A 11 -1.896 13.710 0.365 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.732 12.608 1.201 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.851 13.491 -1.005 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.542 11.343 0.691 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.663 12.226 -1.514 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.503 11.153 -0.670 1.00 0.00 C ATOM 0 H PHE A 11 -2.110 14.379 3.317 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.070 15.355 1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.103 15.147 1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.146 15.826 0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.754 12.749 2.272 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.965 14.325 -1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.424 10.502 1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.641 12.076 -2.583 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.347 10.164 -1.075 1.00 0.00 H new ATOM 175 N ARG A 12 -2.105 17.556 2.991 1.00 0.00 N ATOM 176 CA ARG A 12 -2.268 18.978 3.361 1.00 0.00 C ATOM 177 C ARG A 12 -1.052 19.508 4.151 1.00 0.00 C ATOM 178 O ARG A 12 -0.825 20.716 4.188 1.00 0.00 O ATOM 179 CB ARG A 12 -3.569 19.180 4.183 1.00 0.00 C ATOM 180 CG ARG A 12 -4.877 18.943 3.394 1.00 0.00 C ATOM 181 CD ARG A 12 -6.135 19.248 4.227 1.00 0.00 C ATOM 182 NE ARG A 12 -7.357 19.156 3.415 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.607 19.126 3.886 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.852 19.230 5.189 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.616 19.003 3.038 1.00 0.00 N ATOM 0 H ARG A 12 -2.794 16.938 3.420 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.338 19.550 2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.550 18.505 5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.578 20.196 4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.877 19.568 2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.911 17.907 3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.198 18.549 5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.056 20.248 4.654 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.240 19.111 2.403 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.079 19.335 5.846 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.813 19.205 5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.435 18.932 2.037 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.575 18.979 3.386 1.00 0.00 H new ATOM 199 N GLN A 13 -0.305 18.603 4.811 1.00 0.00 N ATOM 200 CA GLN A 13 0.946 18.945 5.514 1.00 0.00 C ATOM 201 C GLN A 13 2.118 19.046 4.510 1.00 0.00 C ATOM 202 O GLN A 13 2.730 20.108 4.367 1.00 0.00 O ATOM 203 CB GLN A 13 1.247 17.864 6.599 1.00 0.00 C ATOM 204 CG GLN A 13 2.288 18.276 7.663 1.00 0.00 C ATOM 205 CD GLN A 13 1.759 19.346 8.626 1.00 0.00 C ATOM 206 OE1 GLN A 13 1.896 20.544 8.388 1.00 0.00 O ATOM 207 NE2 GLN A 13 1.125 18.916 9.714 1.00 0.00 N ATOM 0 H GLN A 13 -0.551 17.615 4.872 1.00 0.00 H new ATOM 0 HA GLN A 13 0.830 19.914 6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.315 17.609 7.104 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.597 16.960 6.101 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.587 17.396 8.233 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.182 18.652 7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.027 17.915 9.885 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.737 19.587 10.377 1.00 0.00 H new ATOM 216 N VAL A 14 2.380 17.920 3.809 1.00 0.00 N ATOM 217 CA VAL A 14 3.513 17.746 2.870 1.00 0.00 C ATOM 218 C VAL A 14 3.501 18.796 1.740 1.00 0.00 C ATOM 219 O VAL A 14 4.484 19.511 1.540 1.00 0.00 O ATOM 220 CB VAL A 14 3.507 16.280 2.265 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.481 16.115 1.063 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.821 15.233 3.365 1.00 0.00 C ATOM 0 H VAL A 14 1.796 17.087 3.882 1.00 0.00 H new ATOM 0 HA VAL A 14 4.431 17.895 3.438 1.00 0.00 H new ATOM 0 HB VAL A 14 2.502 16.107 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.432 15.091 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.196 16.803 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.498 16.335 1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.812 14.234 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.804 15.435 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.068 15.293 4.150 1.00 0.00 H new ATOM 232 N PHE A 15 2.375 18.885 1.027 1.00 0.00 N ATOM 233 CA PHE A 15 2.214 19.799 -0.122 1.00 0.00 C ATOM 234 C PHE A 15 1.835 21.209 0.352 1.00 0.00 C ATOM 235 O PHE A 15 2.094 22.187 -0.361 1.00 0.00 O ATOM 236 CB PHE A 15 1.137 19.250 -1.095 1.00 0.00 C ATOM 237 CG PHE A 15 1.441 17.837 -1.565 1.00 0.00 C ATOM 238 CD1 PHE A 15 2.424 17.604 -2.509 1.00 0.00 C ATOM 239 CD2 PHE A 15 0.771 16.738 -1.033 1.00 0.00 C ATOM 240 CE1 PHE A 15 2.721 16.325 -2.901 1.00 0.00 C ATOM 241 CE2 PHE A 15 1.071 15.459 -1.435 1.00 0.00 C ATOM 242 CZ PHE A 15 2.048 15.251 -2.363 1.00 0.00 C ATOM 0 H PHE A 15 1.544 18.327 1.225 1.00 0.00 H new ATOM 0 HA PHE A 15 3.166 19.861 -0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.165 19.264 -0.601 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.064 19.909 -1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.961 18.436 -2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.002 16.894 -0.291 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.491 16.158 -3.640 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.534 14.620 -1.017 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.293 14.247 -2.675 1.00 0.00 H new ATOM 252 N ASP A 16 1.247 21.284 1.572 1.00 0.00 N ATOM 253 CA ASP A 16 0.771 22.536 2.190 1.00 0.00 C ATOM 254 C ASP A 16 -0.327 23.183 1.318 1.00 0.00 C ATOM 255 O ASP A 16 -0.058 24.087 0.507 1.00 0.00 O ATOM 256 CB ASP A 16 1.948 23.507 2.518 1.00 0.00 C ATOM 257 CG ASP A 16 1.494 24.858 3.104 1.00 0.00 C ATOM 258 OD1 ASP A 16 0.779 24.863 4.127 1.00 0.00 O ATOM 259 OD2 ASP A 16 1.827 25.923 2.531 1.00 0.00 O ATOM 0 H ASP A 16 1.091 20.463 2.157 1.00 0.00 H new ATOM 0 HA ASP A 16 0.316 22.297 3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.620 23.022 3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.520 23.690 1.608 1.00 0.00 H new ATOM 264 N ASP A 17 -1.555 22.650 1.461 1.00 0.00 N ATOM 265 CA ASP A 17 -2.725 23.094 0.687 1.00 0.00 C ATOM 266 C ASP A 17 -4.019 22.587 1.355 1.00 0.00 C ATOM 267 O ASP A 17 -4.254 21.382 1.411 1.00 0.00 O ATOM 268 CB ASP A 17 -2.628 22.590 -0.782 1.00 0.00 C ATOM 269 CG ASP A 17 -3.795 23.065 -1.662 1.00 0.00 C ATOM 270 OD1 ASP A 17 -3.750 24.204 -2.167 1.00 0.00 O ATOM 271 OD2 ASP A 17 -4.766 22.313 -1.848 1.00 0.00 O ATOM 0 H ASP A 17 -1.762 21.898 2.118 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.746 24.184 0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.690 22.935 -1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.599 21.500 -0.785 1.00 0.00 H new ATOM 276 N ASP A 18 -4.841 23.532 1.844 1.00 0.00 N ATOM 277 CA ASP A 18 -6.149 23.261 2.501 1.00 0.00 C ATOM 278 C ASP A 18 -7.146 22.547 1.561 1.00 0.00 C ATOM 279 O ASP A 18 -7.986 21.760 2.013 1.00 0.00 O ATOM 280 CB ASP A 18 -6.749 24.614 2.982 1.00 0.00 C ATOM 281 CG ASP A 18 -8.189 24.522 3.532 1.00 0.00 C ATOM 282 OD1 ASP A 18 -8.367 24.166 4.714 1.00 0.00 O ATOM 283 OD2 ASP A 18 -9.152 24.813 2.777 1.00 0.00 O ATOM 0 H ASP A 18 -4.618 24.526 1.797 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.976 22.591 3.343 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.104 25.027 3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.737 25.318 2.150 1.00 0.00 H new ATOM 288 N SER A 19 -7.021 22.804 0.256 1.00 0.00 N ATOM 289 CA SER A 19 -8.032 22.412 -0.732 1.00 0.00 C ATOM 290 C SER A 19 -7.940 20.915 -1.089 1.00 0.00 C ATOM 291 O SER A 19 -8.904 20.369 -1.610 1.00 0.00 O ATOM 292 CB SER A 19 -7.892 23.286 -1.995 1.00 0.00 C ATOM 293 OG SER A 19 -7.855 24.663 -1.661 1.00 0.00 O ATOM 0 H SER A 19 -6.218 23.289 -0.145 1.00 0.00 H new ATOM 0 HA SER A 19 -9.016 22.573 -0.290 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.982 23.014 -2.530 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.728 23.094 -2.668 1.00 0.00 H new ATOM 0 HG SER A 19 -7.764 25.196 -2.479 1.00 0.00 H new ATOM 299 N ILE A 20 -6.783 20.260 -0.798 1.00 0.00 N ATOM 300 CA ILE A 20 -6.578 18.819 -1.089 1.00 0.00 C ATOM 301 C ILE A 20 -7.628 17.967 -0.349 1.00 0.00 C ATOM 302 O ILE A 20 -7.667 17.951 0.880 1.00 0.00 O ATOM 303 CB ILE A 20 -5.123 18.321 -0.702 1.00 0.00 C ATOM 304 CG1 ILE A 20 -4.034 19.075 -1.528 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.980 16.783 -0.887 1.00 0.00 C ATOM 306 CD1 ILE A 20 -2.593 18.704 -1.194 1.00 0.00 C ATOM 0 H ILE A 20 -5.979 20.711 -0.362 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.693 18.697 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.972 18.548 0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.206 18.882 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.161 20.147 -1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.971 16.476 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.701 16.271 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.168 16.523 -1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.914 19.282 -1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.394 18.924 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.439 17.640 -1.377 1.00 0.00 H new ATOM 318 N VAL A 21 -8.500 17.309 -1.121 1.00 0.00 N ATOM 319 CA VAL A 21 -9.500 16.357 -0.620 1.00 0.00 C ATOM 320 C VAL A 21 -9.335 15.061 -1.432 1.00 0.00 C ATOM 321 O VAL A 21 -9.664 15.029 -2.622 1.00 0.00 O ATOM 322 CB VAL A 21 -10.970 16.909 -0.765 1.00 0.00 C ATOM 323 CG1 VAL A 21 -12.008 15.896 -0.222 1.00 0.00 C ATOM 324 CG2 VAL A 21 -11.135 18.288 -0.075 1.00 0.00 C ATOM 0 H VAL A 21 -8.532 17.425 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.340 16.185 0.444 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.157 17.047 -1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.011 16.306 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.932 14.963 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.812 15.705 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.161 18.635 -0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.907 18.193 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.453 19.006 -0.530 1.00 0.00 H new ATOM 334 N LEU A 22 -8.789 14.018 -0.795 1.00 0.00 N ATOM 335 CA LEU A 22 -8.387 12.785 -1.498 1.00 0.00 C ATOM 336 C LEU A 22 -9.579 11.926 -1.920 1.00 0.00 C ATOM 337 O LEU A 22 -10.555 11.782 -1.181 1.00 0.00 O ATOM 338 CB LEU A 22 -7.429 11.955 -0.624 1.00 0.00 C ATOM 339 CG LEU A 22 -6.086 12.652 -0.289 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.209 11.741 0.575 1.00 0.00 C ATOM 341 CD2 LEU A 22 -5.350 13.105 -1.573 1.00 0.00 C ATOM 0 H LEU A 22 -8.613 14.000 0.210 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.877 13.099 -2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.935 11.705 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.217 11.015 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.303 13.551 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.270 12.247 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.729 11.510 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.003 10.817 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.412 13.590 -1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.143 12.237 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.976 13.807 -2.123 1.00 0.00 H new ATOM 353 N THR A 23 -9.443 11.351 -3.117 1.00 0.00 N ATOM 354 CA THR A 23 -10.366 10.378 -3.699 1.00 0.00 C ATOM 355 C THR A 23 -9.516 9.207 -4.223 1.00 0.00 C ATOM 356 O THR A 23 -8.273 9.273 -4.199 1.00 0.00 O ATOM 357 CB THR A 23 -11.216 10.983 -4.879 1.00 0.00 C ATOM 358 OG1 THR A 23 -10.369 11.298 -5.999 1.00 0.00 O ATOM 359 CG2 THR A 23 -11.988 12.247 -4.453 1.00 0.00 C ATOM 0 H THR A 23 -8.655 11.560 -3.730 1.00 0.00 H new ATOM 0 HA THR A 23 -11.076 10.060 -2.936 1.00 0.00 H new ATOM 0 HB THR A 23 -11.943 10.224 -5.166 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.585 11.796 -5.686 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.559 12.627 -5.300 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.669 12.000 -3.638 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.283 13.009 -4.119 1.00 0.00 H new ATOM 367 N ARG A 24 -10.173 8.146 -4.702 1.00 0.00 N ATOM 368 CA ARG A 24 -9.490 6.987 -5.305 1.00 0.00 C ATOM 369 C ARG A 24 -8.796 7.364 -6.636 1.00 0.00 C ATOM 370 O ARG A 24 -7.784 6.759 -7.006 1.00 0.00 O ATOM 371 CB ARG A 24 -10.498 5.839 -5.540 1.00 0.00 C ATOM 372 CG ARG A 24 -11.227 5.348 -4.272 1.00 0.00 C ATOM 373 CD ARG A 24 -12.172 4.168 -4.560 1.00 0.00 C ATOM 374 NE ARG A 24 -11.432 2.996 -5.063 1.00 0.00 N ATOM 375 CZ ARG A 24 -11.747 2.256 -6.139 1.00 0.00 C ATOM 376 NH1 ARG A 24 -12.776 2.583 -6.908 1.00 0.00 N ATOM 377 NH2 ARG A 24 -10.997 1.215 -6.455 1.00 0.00 N ATOM 0 H ARG A 24 -11.189 8.062 -4.685 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.720 6.656 -4.609 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.242 6.170 -6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.970 4.997 -5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.491 5.047 -3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.798 6.171 -3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.708 3.899 -3.650 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.920 4.470 -5.293 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.599 2.720 -4.543 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.338 3.404 -6.685 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.005 2.013 -7.722 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.186 0.979 -5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.229 0.648 -7.270 1.00 0.00 H new ATOM 391 N GLU A 25 -9.337 8.377 -7.338 1.00 0.00 N ATOM 392 CA GLU A 25 -8.853 8.778 -8.672 1.00 0.00 C ATOM 393 C GLU A 25 -7.867 9.965 -8.588 1.00 0.00 C ATOM 394 O GLU A 25 -7.260 10.334 -9.607 1.00 0.00 O ATOM 395 CB GLU A 25 -10.050 9.132 -9.588 1.00 0.00 C ATOM 396 CG GLU A 25 -10.945 10.269 -9.058 1.00 0.00 C ATOM 397 CD GLU A 25 -11.988 10.747 -10.078 1.00 0.00 C ATOM 398 OE1 GLU A 25 -11.633 11.560 -10.962 1.00 0.00 O ATOM 399 OE2 GLU A 25 -13.154 10.298 -10.014 1.00 0.00 O ATOM 0 H GLU A 25 -10.118 8.938 -6.998 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.313 7.933 -9.100 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.669 9.414 -10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.661 8.240 -9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.457 9.929 -8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.317 11.112 -8.769 1.00 0.00 H new ATOM 406 N THR A 26 -7.727 10.579 -7.383 1.00 0.00 N ATOM 407 CA THR A 26 -6.722 11.637 -7.139 1.00 0.00 C ATOM 408 C THR A 26 -5.312 11.091 -7.421 1.00 0.00 C ATOM 409 O THR A 26 -5.022 9.940 -7.100 1.00 0.00 O ATOM 410 CB THR A 26 -6.793 12.185 -5.669 1.00 0.00 C ATOM 411 OG1 THR A 26 -8.113 12.635 -5.374 1.00 0.00 O ATOM 412 CG2 THR A 26 -5.823 13.353 -5.416 1.00 0.00 C ATOM 0 H THR A 26 -8.299 10.356 -6.569 1.00 0.00 H new ATOM 0 HA THR A 26 -6.943 12.464 -7.813 1.00 0.00 H new ATOM 0 HB THR A 26 -6.506 11.355 -5.023 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.087 13.247 -4.609 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.919 13.688 -4.383 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.800 13.022 -5.597 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.062 14.177 -6.088 1.00 0.00 H new ATOM 420 N SER A 27 -4.466 11.913 -8.043 1.00 0.00 N ATOM 421 CA SER A 27 -3.095 11.541 -8.419 1.00 0.00 C ATOM 422 C SER A 27 -2.262 12.802 -8.603 1.00 0.00 C ATOM 423 O SER A 27 -2.763 13.909 -8.428 1.00 0.00 O ATOM 424 CB SER A 27 -3.119 10.728 -9.728 1.00 0.00 C ATOM 425 OG SER A 27 -3.704 11.480 -10.776 1.00 0.00 O ATOM 0 H SER A 27 -4.713 12.867 -8.304 1.00 0.00 H new ATOM 0 HA SER A 27 -2.653 10.931 -7.632 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.104 10.442 -10.002 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.681 9.806 -9.579 1.00 0.00 H new ATOM 0 HG SER A 27 -3.854 10.899 -11.551 1.00 0.00 H new ATOM 431 N ALA A 28 -0.987 12.622 -8.959 1.00 0.00 N ATOM 432 CA ALA A 28 -0.104 13.731 -9.345 1.00 0.00 C ATOM 433 C ALA A 28 -0.398 14.216 -10.770 1.00 0.00 C ATOM 434 O ALA A 28 0.124 15.247 -11.189 1.00 0.00 O ATOM 435 CB ALA A 28 1.357 13.318 -9.198 1.00 0.00 C ATOM 0 H ALA A 28 -0.537 11.707 -8.988 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.299 14.567 -8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.001 14.149 -9.487 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.556 13.048 -8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.559 12.461 -9.841 1.00 0.00 H new ATOM 441 N ASN A 29 -1.267 13.489 -11.499 1.00 0.00 N ATOM 442 CA ASN A 29 -1.772 13.925 -12.813 1.00 0.00 C ATOM 443 C ASN A 29 -2.929 14.910 -12.571 1.00 0.00 C ATOM 444 O ASN A 29 -3.170 15.821 -13.365 1.00 0.00 O ATOM 445 CB ASN A 29 -2.260 12.703 -13.651 1.00 0.00 C ATOM 446 CG ASN A 29 -1.184 11.633 -13.902 1.00 0.00 C ATOM 447 OD1 ASN A 29 -1.487 10.437 -13.974 1.00 0.00 O ATOM 448 ND2 ASN A 29 0.068 12.046 -14.079 1.00 0.00 N ATOM 0 H ASN A 29 -1.636 12.588 -11.195 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.975 14.409 -13.378 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.103 12.240 -13.138 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.630 13.061 -14.612 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.805 11.370 -14.279 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.291 13.039 -14.014 1.00 0.00 H new ATOM 455 N ASP A 30 -3.643 14.682 -11.447 1.00 0.00 N ATOM 456 CA ASP A 30 -4.751 15.523 -10.966 1.00 0.00 C ATOM 457 C ASP A 30 -4.248 16.621 -9.985 1.00 0.00 C ATOM 458 O ASP A 30 -4.941 17.621 -9.752 1.00 0.00 O ATOM 459 CB ASP A 30 -5.797 14.590 -10.300 1.00 0.00 C ATOM 460 CG ASP A 30 -7.055 15.308 -9.801 1.00 0.00 C ATOM 461 OD1 ASP A 30 -7.754 15.941 -10.622 1.00 0.00 O ATOM 462 OD2 ASP A 30 -7.350 15.248 -8.588 1.00 0.00 O ATOM 0 H ASP A 30 -3.457 13.886 -10.836 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.209 16.055 -11.800 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.091 13.823 -11.017 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.327 14.078 -9.460 1.00 0.00 H new ATOM 467 N ILE A 31 -3.028 16.445 -9.431 1.00 0.00 N ATOM 468 CA ILE A 31 -2.386 17.432 -8.534 1.00 0.00 C ATOM 469 C ILE A 31 -1.080 17.887 -9.203 1.00 0.00 C ATOM 470 O ILE A 31 -0.074 17.166 -9.174 1.00 0.00 O ATOM 471 CB ILE A 31 -2.074 16.864 -7.085 1.00 0.00 C ATOM 472 CG1 ILE A 31 -3.376 16.379 -6.376 1.00 0.00 C ATOM 473 CG2 ILE A 31 -1.343 17.923 -6.210 1.00 0.00 C ATOM 474 CD1 ILE A 31 -3.188 15.857 -4.955 1.00 0.00 C ATOM 0 H ILE A 31 -2.460 15.614 -9.593 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.081 18.259 -8.388 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.412 16.007 -7.208 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.086 17.206 -6.351 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.826 15.590 -6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.143 17.505 -5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.402 18.200 -6.684 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.972 18.808 -6.108 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.151 15.545 -4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.507 15.006 -4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.771 16.646 -4.330 1.00 0.00 H new ATOM 486 N ASP A 32 -1.127 19.070 -9.826 1.00 0.00 N ATOM 487 CA ASP A 32 0.038 19.680 -10.490 1.00 0.00 C ATOM 488 C ASP A 32 1.157 19.978 -9.472 1.00 0.00 C ATOM 489 O ASP A 32 2.340 19.882 -9.785 1.00 0.00 O ATOM 490 CB ASP A 32 -0.396 20.969 -11.243 1.00 0.00 C ATOM 491 CG ASP A 32 0.754 21.673 -11.993 1.00 0.00 C ATOM 492 OD1 ASP A 32 1.421 21.020 -12.828 1.00 0.00 O ATOM 493 OD2 ASP A 32 0.990 22.878 -11.768 1.00 0.00 O ATOM 0 H ASP A 32 -1.974 19.635 -9.886 1.00 0.00 H new ATOM 0 HA ASP A 32 0.438 18.974 -11.218 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.180 20.715 -11.957 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.831 21.667 -10.527 1.00 0.00 H new ATOM 498 N ALA A 33 0.753 20.283 -8.231 1.00 0.00 N ATOM 499 CA ALA A 33 1.677 20.606 -7.126 1.00 0.00 C ATOM 500 C ALA A 33 2.357 19.348 -6.508 1.00 0.00 C ATOM 501 O ALA A 33 3.027 19.458 -5.473 1.00 0.00 O ATOM 502 CB ALA A 33 0.903 21.401 -6.062 1.00 0.00 C ATOM 0 H ALA A 33 -0.230 20.314 -7.960 1.00 0.00 H new ATOM 0 HA ALA A 33 2.494 21.206 -7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.570 21.649 -5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.516 22.319 -6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.074 20.799 -5.690 1.00 0.00 H new ATOM 508 N TRP A 34 2.183 18.166 -7.129 1.00 0.00 N ATOM 509 CA TRP A 34 2.783 16.896 -6.660 1.00 0.00 C ATOM 510 C TRP A 34 3.864 16.421 -7.648 1.00 0.00 C ATOM 511 O TRP A 34 3.633 16.357 -8.860 1.00 0.00 O ATOM 512 CB TRP A 34 1.653 15.849 -6.517 1.00 0.00 C ATOM 513 CG TRP A 34 1.995 14.526 -5.843 1.00 0.00 C ATOM 514 CD1 TRP A 34 3.221 14.031 -5.482 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.050 13.529 -5.462 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.084 12.808 -4.893 1.00 0.00 N ATOM 517 CE2 TRP A 34 1.762 12.474 -4.875 1.00 0.00 C ATOM 518 CE3 TRP A 34 -0.334 13.435 -5.563 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.137 11.341 -4.382 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.950 12.310 -5.087 1.00 0.00 C ATOM 521 CH2 TRP A 34 -0.213 11.271 -4.503 1.00 0.00 C ATOM 0 H TRP A 34 1.621 18.061 -7.974 1.00 0.00 H new ATOM 0 HA TRP A 34 3.267 17.038 -5.694 1.00 0.00 H new ATOM 0 HB2 TRP A 34 0.838 16.309 -5.958 1.00 0.00 H new ATOM 0 HB3 TRP A 34 1.272 15.629 -7.514 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.162 14.537 -5.641 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.846 12.237 -4.526 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.910 14.233 -6.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.701 10.545 -3.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -2.024 12.221 -5.163 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.731 10.395 -4.141 1.00 0.00 H new ATOM 532 N ASP A 35 5.040 16.076 -7.099 1.00 0.00 N ATOM 533 CA ASP A 35 6.202 15.565 -7.852 1.00 0.00 C ATOM 534 C ASP A 35 6.670 14.228 -7.248 1.00 0.00 C ATOM 535 O ASP A 35 6.193 13.809 -6.200 1.00 0.00 O ATOM 536 CB ASP A 35 7.365 16.599 -7.797 1.00 0.00 C ATOM 537 CG ASP A 35 6.953 18.012 -8.243 1.00 0.00 C ATOM 538 OD1 ASP A 35 6.506 18.810 -7.389 1.00 0.00 O ATOM 539 OD2 ASP A 35 7.057 18.326 -9.444 1.00 0.00 O ATOM 0 H ASP A 35 5.215 16.145 -6.097 1.00 0.00 H new ATOM 0 HA ASP A 35 5.910 15.408 -8.890 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.750 16.646 -6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.181 16.250 -8.430 1.00 0.00 H new ATOM 544 N SER A 36 7.602 13.558 -7.940 1.00 0.00 N ATOM 545 CA SER A 36 8.310 12.372 -7.414 1.00 0.00 C ATOM 546 C SER A 36 9.350 12.757 -6.344 1.00 0.00 C ATOM 547 O SER A 36 9.780 11.909 -5.556 1.00 0.00 O ATOM 548 CB SER A 36 8.929 11.519 -8.565 1.00 0.00 C ATOM 549 OG SER A 36 9.748 12.272 -9.503 1.00 0.00 O ATOM 0 H SER A 36 7.890 13.820 -8.883 1.00 0.00 H new ATOM 0 HA SER A 36 7.572 11.742 -6.917 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.536 10.727 -8.127 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.122 11.034 -9.115 1.00 0.00 H new ATOM 0 HG SER A 36 10.099 11.667 -10.190 1.00 0.00 H new ATOM 554 N LEU A 37 9.719 14.047 -6.306 1.00 0.00 N ATOM 555 CA LEU A 37 10.448 14.625 -5.164 1.00 0.00 C ATOM 556 C LEU A 37 9.517 14.638 -3.933 1.00 0.00 C ATOM 557 O LEU A 37 9.920 14.294 -2.819 1.00 0.00 O ATOM 558 CB LEU A 37 10.955 16.068 -5.472 1.00 0.00 C ATOM 559 CG LEU A 37 12.002 16.244 -6.627 1.00 0.00 C ATOM 560 CD1 LEU A 37 13.170 15.248 -6.485 1.00 0.00 C ATOM 561 CD2 LEU A 37 11.348 16.186 -8.027 1.00 0.00 C ATOM 0 H LEU A 37 9.524 14.712 -7.055 1.00 0.00 H new ATOM 0 HA LEU A 37 11.326 14.011 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.088 16.684 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.393 16.471 -4.559 1.00 0.00 H new ATOM 0 HG LEU A 37 12.421 17.246 -6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.877 15.397 -7.301 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.675 15.413 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.785 14.229 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.114 16.313 -8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.858 15.221 -8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.610 16.983 -8.117 1.00 0.00 H new ATOM 573 N SER A 38 8.251 15.007 -4.186 1.00 0.00 N ATOM 574 CA SER A 38 7.201 15.082 -3.166 1.00 0.00 C ATOM 575 C SER A 38 6.725 13.681 -2.727 1.00 0.00 C ATOM 576 O SER A 38 6.200 13.542 -1.627 1.00 0.00 O ATOM 577 CB SER A 38 6.021 15.886 -3.719 1.00 0.00 C ATOM 578 OG SER A 38 6.442 17.135 -4.234 1.00 0.00 O ATOM 0 H SER A 38 7.927 15.264 -5.118 1.00 0.00 H new ATOM 0 HA SER A 38 7.614 15.576 -2.286 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.526 15.315 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.286 16.045 -2.930 1.00 0.00 H new ATOM 0 HG SER A 38 5.667 17.624 -4.581 1.00 0.00 H new ATOM 584 N HIS A 39 6.877 12.664 -3.619 1.00 0.00 N ATOM 585 CA HIS A 39 6.640 11.233 -3.272 1.00 0.00 C ATOM 586 C HIS A 39 7.525 10.804 -2.094 1.00 0.00 C ATOM 587 O HIS A 39 7.069 10.100 -1.202 1.00 0.00 O ATOM 588 CB HIS A 39 6.901 10.279 -4.479 1.00 0.00 C ATOM 589 CG HIS A 39 5.763 10.119 -5.446 1.00 0.00 C ATOM 590 ND1 HIS A 39 4.463 10.088 -5.026 1.00 0.00 N ATOM 591 CD2 HIS A 39 5.800 9.895 -6.779 1.00 0.00 C ATOM 592 CE1 HIS A 39 3.748 9.846 -6.107 1.00 0.00 C ATOM 593 NE2 HIS A 39 4.513 9.727 -7.191 1.00 0.00 N ATOM 0 H HIS A 39 7.164 12.809 -4.587 1.00 0.00 H new ATOM 0 HA HIS A 39 5.589 11.153 -2.994 1.00 0.00 H new ATOM 0 HB2 HIS A 39 7.769 10.646 -5.027 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.163 9.295 -4.090 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.683 9.857 -7.399 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.672 9.755 -6.113 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.197 9.546 -8.144 1.00 0.00 H new ATOM 601 N MET A 40 8.793 11.249 -2.114 1.00 0.00 N ATOM 602 CA MET A 40 9.762 10.958 -1.043 1.00 0.00 C ATOM 603 C MET A 40 9.275 11.524 0.296 1.00 0.00 C ATOM 604 O MET A 40 9.218 10.799 1.293 1.00 0.00 O ATOM 605 CB MET A 40 11.162 11.519 -1.407 1.00 0.00 C ATOM 606 CG MET A 40 11.831 10.880 -2.648 1.00 0.00 C ATOM 607 SD MET A 40 12.578 9.242 -2.348 1.00 0.00 S ATOM 608 CE MET A 40 11.190 8.101 -2.328 1.00 0.00 C ATOM 0 H MET A 40 9.174 11.818 -2.870 1.00 0.00 H new ATOM 0 HA MET A 40 9.847 9.876 -0.940 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.072 12.592 -1.576 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.822 11.385 -0.550 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.086 10.786 -3.438 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.603 11.555 -3.016 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.455 7.196 -2.874 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.945 7.844 -1.297 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.327 8.570 -2.800 1.00 0.00 H new ATOM 618 N ASN A 41 8.869 12.806 0.265 1.00 0.00 N ATOM 619 CA ASN A 41 8.332 13.524 1.443 1.00 0.00 C ATOM 620 C ASN A 41 7.067 12.824 1.987 1.00 0.00 C ATOM 621 O ASN A 41 6.941 12.579 3.191 1.00 0.00 O ATOM 622 CB ASN A 41 7.978 14.990 1.073 1.00 0.00 C ATOM 623 CG ASN A 41 9.158 15.821 0.581 1.00 0.00 C ATOM 624 OD1 ASN A 41 10.114 15.303 0.000 1.00 0.00 O ATOM 625 ND2 ASN A 41 9.090 17.124 0.791 1.00 0.00 N ATOM 0 H ASN A 41 8.903 13.378 -0.579 1.00 0.00 H new ATOM 0 HA ASN A 41 9.104 13.517 2.212 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.209 14.981 0.300 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.546 15.478 1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.843 17.732 0.469 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.285 17.521 1.275 1.00 0.00 H new ATOM 632 N LEU A 42 6.162 12.485 1.064 1.00 0.00 N ATOM 633 CA LEU A 42 4.841 11.909 1.367 1.00 0.00 C ATOM 634 C LEU A 42 4.983 10.523 2.036 1.00 0.00 C ATOM 635 O LEU A 42 4.421 10.280 3.112 1.00 0.00 O ATOM 636 CB LEU A 42 4.011 11.842 0.038 1.00 0.00 C ATOM 637 CG LEU A 42 2.455 11.721 0.141 1.00 0.00 C ATOM 638 CD1 LEU A 42 1.994 10.332 0.615 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.881 12.844 1.033 1.00 0.00 C ATOM 0 H LEU A 42 6.327 12.604 0.064 1.00 0.00 H new ATOM 0 HA LEU A 42 4.312 12.540 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.237 12.737 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.373 10.990 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 42 2.057 11.842 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.906 10.308 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.340 9.574 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.409 10.128 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.797 12.743 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.308 12.768 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.132 13.814 0.604 1.00 0.00 H new ATOM 651 N ILE A 43 5.753 9.640 1.389 1.00 0.00 N ATOM 652 CA ILE A 43 5.935 8.245 1.829 1.00 0.00 C ATOM 653 C ILE A 43 6.591 8.192 3.223 1.00 0.00 C ATOM 654 O ILE A 43 6.077 7.503 4.097 1.00 0.00 O ATOM 655 CB ILE A 43 6.734 7.392 0.741 1.00 0.00 C ATOM 656 CG1 ILE A 43 5.758 6.750 -0.319 1.00 0.00 C ATOM 657 CG2 ILE A 43 7.641 6.298 1.368 1.00 0.00 C ATOM 658 CD1 ILE A 43 4.878 7.720 -1.095 1.00 0.00 C ATOM 0 H ILE A 43 6.271 9.871 0.541 1.00 0.00 H new ATOM 0 HA ILE A 43 4.952 7.782 1.922 1.00 0.00 H new ATOM 0 HB ILE A 43 7.390 8.100 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.354 6.181 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.113 6.038 0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.156 5.754 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.375 6.766 2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.029 5.605 1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.251 7.164 -1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.246 8.273 -0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.506 8.418 -1.649 1.00 0.00 H new ATOM 670 N VAL A 44 7.672 8.980 3.451 1.00 0.00 N ATOM 671 CA VAL A 44 8.390 8.963 4.747 1.00 0.00 C ATOM 672 C VAL A 44 7.511 9.486 5.904 1.00 0.00 C ATOM 673 O VAL A 44 7.707 9.093 7.060 1.00 0.00 O ATOM 674 CB VAL A 44 9.754 9.733 4.699 1.00 0.00 C ATOM 675 CG1 VAL A 44 10.713 9.100 3.660 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.561 11.248 4.442 1.00 0.00 C ATOM 0 H VAL A 44 8.060 9.626 2.764 1.00 0.00 H new ATOM 0 HA VAL A 44 8.618 7.915 4.941 1.00 0.00 H new ATOM 0 HB VAL A 44 10.213 9.637 5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.652 9.653 3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.907 8.062 3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.255 9.139 2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.534 11.740 4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.056 11.394 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.957 11.679 5.241 1.00 0.00 H new ATOM 686 N SER A 45 6.545 10.370 5.578 1.00 0.00 N ATOM 687 CA SER A 45 5.505 10.811 6.531 1.00 0.00 C ATOM 688 C SER A 45 4.636 9.613 6.971 1.00 0.00 C ATOM 689 O SER A 45 4.326 9.464 8.148 1.00 0.00 O ATOM 690 CB SER A 45 4.615 11.902 5.899 1.00 0.00 C ATOM 691 OG SER A 45 5.389 12.978 5.410 1.00 0.00 O ATOM 0 H SER A 45 6.464 10.795 4.654 1.00 0.00 H new ATOM 0 HA SER A 45 6.001 11.229 7.407 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.032 11.472 5.085 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.905 12.269 6.640 1.00 0.00 H new ATOM 0 HG SER A 45 5.877 12.693 4.610 1.00 0.00 H new ATOM 697 N LEU A 46 4.275 8.747 6.011 1.00 0.00 N ATOM 698 CA LEU A 46 3.437 7.553 6.281 1.00 0.00 C ATOM 699 C LEU A 46 4.218 6.481 7.075 1.00 0.00 C ATOM 700 O LEU A 46 3.637 5.776 7.915 1.00 0.00 O ATOM 701 CB LEU A 46 2.910 6.954 4.951 1.00 0.00 C ATOM 702 CG LEU A 46 2.186 7.954 3.994 1.00 0.00 C ATOM 703 CD1 LEU A 46 1.653 7.242 2.734 1.00 0.00 C ATOM 704 CD2 LEU A 46 1.072 8.724 4.724 1.00 0.00 C ATOM 0 H LEU A 46 4.549 8.847 5.034 1.00 0.00 H new ATOM 0 HA LEU A 46 2.591 7.871 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.750 6.512 4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.221 6.143 5.188 1.00 0.00 H new ATOM 0 HG LEU A 46 2.924 8.686 3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.155 7.967 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.484 6.787 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.943 6.468 3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.589 9.411 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.335 8.019 5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.502 9.288 5.552 1.00 0.00 H new ATOM 716 N GLU A 47 5.535 6.390 6.803 1.00 0.00 N ATOM 717 CA GLU A 47 6.447 5.434 7.466 1.00 0.00 C ATOM 718 C GLU A 47 6.491 5.692 8.975 1.00 0.00 C ATOM 719 O GLU A 47 6.311 4.777 9.773 1.00 0.00 O ATOM 720 CB GLU A 47 7.882 5.550 6.879 1.00 0.00 C ATOM 721 CG GLU A 47 7.996 5.349 5.352 1.00 0.00 C ATOM 722 CD GLU A 47 7.747 3.914 4.867 1.00 0.00 C ATOM 723 OE1 GLU A 47 6.579 3.480 4.808 1.00 0.00 O ATOM 724 OE2 GLU A 47 8.732 3.215 4.531 1.00 0.00 O ATOM 0 H GLU A 47 5.999 6.981 6.113 1.00 0.00 H new ATOM 0 HA GLU A 47 6.068 4.428 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.279 6.534 7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.518 4.815 7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.285 6.012 4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.992 5.657 5.033 1.00 0.00 H new ATOM 731 N VAL A 48 6.744 6.957 9.343 1.00 0.00 N ATOM 732 CA VAL A 48 6.864 7.376 10.745 1.00 0.00 C ATOM 733 C VAL A 48 5.507 7.383 11.488 1.00 0.00 C ATOM 734 O VAL A 48 5.456 7.058 12.675 1.00 0.00 O ATOM 735 CB VAL A 48 7.562 8.778 10.871 1.00 0.00 C ATOM 736 CG1 VAL A 48 8.997 8.728 10.298 1.00 0.00 C ATOM 737 CG2 VAL A 48 6.739 9.913 10.203 1.00 0.00 C ATOM 0 H VAL A 48 6.871 7.718 8.675 1.00 0.00 H new ATOM 0 HA VAL A 48 7.493 6.628 11.227 1.00 0.00 H new ATOM 0 HB VAL A 48 7.617 9.012 11.934 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.462 9.709 10.395 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.583 7.992 10.849 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.959 8.447 9.245 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.265 10.860 10.318 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.613 9.695 9.143 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.761 9.981 10.679 1.00 0.00 H new ATOM 747 N HIS A 49 4.429 7.780 10.786 1.00 0.00 N ATOM 748 CA HIS A 49 3.060 7.837 11.358 1.00 0.00 C ATOM 749 C HIS A 49 2.506 6.440 11.687 1.00 0.00 C ATOM 750 O HIS A 49 2.148 6.162 12.840 1.00 0.00 O ATOM 751 CB HIS A 49 2.091 8.603 10.397 1.00 0.00 C ATOM 752 CG HIS A 49 2.101 10.098 10.587 1.00 0.00 C ATOM 753 ND1 HIS A 49 0.994 10.810 10.995 1.00 0.00 N ATOM 754 CD2 HIS A 49 3.088 11.007 10.439 1.00 0.00 C ATOM 755 CE1 HIS A 49 1.304 12.086 11.088 1.00 0.00 C ATOM 756 NE2 HIS A 49 2.569 12.230 10.759 1.00 0.00 N ATOM 0 H HIS A 49 4.476 8.070 9.809 1.00 0.00 H new ATOM 0 HA HIS A 49 3.129 8.384 12.298 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.362 8.375 9.366 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.077 8.234 10.549 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.101 10.805 10.125 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.634 12.879 11.384 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.080 13.112 10.745 1.00 0.00 H new ATOM 765 N TYR A 50 2.453 5.566 10.673 1.00 0.00 N ATOM 766 CA TYR A 50 1.812 4.242 10.797 1.00 0.00 C ATOM 767 C TYR A 50 2.828 3.160 11.211 1.00 0.00 C ATOM 768 O TYR A 50 2.437 2.005 11.404 1.00 0.00 O ATOM 769 CB TYR A 50 1.118 3.846 9.472 1.00 0.00 C ATOM 770 CG TYR A 50 0.093 4.866 8.939 1.00 0.00 C ATOM 771 CD1 TYR A 50 -1.129 5.070 9.586 1.00 0.00 C ATOM 772 CD2 TYR A 50 0.346 5.607 7.785 1.00 0.00 C ATOM 773 CE1 TYR A 50 -2.058 5.970 9.091 1.00 0.00 C ATOM 774 CE2 TYR A 50 -0.575 6.507 7.295 1.00 0.00 C ATOM 775 CZ TYR A 50 -1.772 6.683 7.946 1.00 0.00 C ATOM 776 OH TYR A 50 -2.691 7.576 7.446 1.00 0.00 O ATOM 0 H TYR A 50 2.848 5.750 9.751 1.00 0.00 H new ATOM 0 HA TYR A 50 1.059 4.314 11.581 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.883 3.692 8.711 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.615 2.890 9.615 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.352 4.517 10.486 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.283 5.473 7.265 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.001 6.112 9.599 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.357 7.073 6.401 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.252 8.436 7.275 1.00 0.00 H new ATOM 786 N LYS A 51 4.124 3.551 11.340 1.00 0.00 N ATOM 787 CA LYS A 51 5.237 2.639 11.717 1.00 0.00 C ATOM 788 C LYS A 51 5.412 1.518 10.667 1.00 0.00 C ATOM 789 O LYS A 51 5.833 0.401 10.990 1.00 0.00 O ATOM 790 CB LYS A 51 5.062 2.062 13.169 1.00 0.00 C ATOM 791 CG LYS A 51 5.458 3.021 14.314 1.00 0.00 C ATOM 792 CD LYS A 51 4.620 4.313 14.363 1.00 0.00 C ATOM 793 CE LYS A 51 5.009 5.216 15.538 1.00 0.00 C ATOM 794 NZ LYS A 51 4.801 4.551 16.854 1.00 0.00 N ATOM 0 H LYS A 51 4.427 4.512 11.185 1.00 0.00 H new ATOM 0 HA LYS A 51 6.154 3.228 11.728 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.020 1.773 13.304 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.659 1.154 13.255 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.357 2.498 15.265 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.510 3.286 14.206 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.747 4.861 13.429 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.564 4.055 14.440 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.056 5.505 15.441 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.420 6.133 15.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.897 5.252 17.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.849 4.134 16.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.512 3.802 16.981 1.00 0.00 H new ATOM 808 N ILE A 52 5.140 1.864 9.397 1.00 0.00 N ATOM 809 CA ILE A 52 5.097 0.903 8.275 1.00 0.00 C ATOM 810 C ILE A 52 6.322 1.080 7.374 1.00 0.00 C ATOM 811 O ILE A 52 7.130 1.989 7.586 1.00 0.00 O ATOM 812 CB ILE A 52 3.775 1.080 7.444 1.00 0.00 C ATOM 813 CG1 ILE A 52 3.686 2.517 6.820 1.00 0.00 C ATOM 814 CG2 ILE A 52 2.552 0.764 8.338 1.00 0.00 C ATOM 815 CD1 ILE A 52 2.436 2.786 5.998 1.00 0.00 C ATOM 0 H ILE A 52 4.942 2.824 9.116 1.00 0.00 H new ATOM 0 HA ILE A 52 5.111 -0.106 8.686 1.00 0.00 H new ATOM 0 HB ILE A 52 3.782 0.377 6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.737 3.250 7.625 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.559 2.677 6.188 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.637 0.888 7.759 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.619 -0.263 8.696 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.538 1.445 9.189 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.468 3.804 5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.389 2.082 5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.554 2.665 6.627 1.00 0.00 H new ATOM 827 N LYS A 53 6.442 0.211 6.359 1.00 0.00 N ATOM 828 CA LYS A 53 7.600 0.180 5.462 1.00 0.00 C ATOM 829 C LYS A 53 7.110 -0.094 4.030 1.00 0.00 C ATOM 830 O LYS A 53 6.706 -1.215 3.717 1.00 0.00 O ATOM 831 CB LYS A 53 8.612 -0.906 5.962 1.00 0.00 C ATOM 832 CG LYS A 53 10.070 -0.795 5.436 1.00 0.00 C ATOM 833 CD LYS A 53 10.238 -1.160 3.942 1.00 0.00 C ATOM 834 CE LYS A 53 11.699 -1.105 3.480 1.00 0.00 C ATOM 835 NZ LYS A 53 12.558 -2.046 4.240 1.00 0.00 N ATOM 0 H LYS A 53 5.735 -0.491 6.139 1.00 0.00 H new ATOM 0 HA LYS A 53 8.121 1.137 5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.639 -0.870 7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.224 -1.886 5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.423 0.225 5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.709 -1.447 6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.845 -2.162 3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.644 -0.476 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.752 -1.343 2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.079 -0.090 3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.482 -2.129 3.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.692 -1.689 5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.103 -2.980 4.276 1.00 0.00 H new ATOM 849 N PHE A 54 7.116 0.943 3.180 1.00 0.00 N ATOM 850 CA PHE A 54 6.896 0.796 1.738 1.00 0.00 C ATOM 851 C PHE A 54 8.209 0.384 1.066 1.00 0.00 C ATOM 852 O PHE A 54 9.274 0.940 1.364 1.00 0.00 O ATOM 853 CB PHE A 54 6.372 2.110 1.102 1.00 0.00 C ATOM 854 CG PHE A 54 4.989 2.548 1.584 1.00 0.00 C ATOM 855 CD1 PHE A 54 3.882 1.715 1.431 1.00 0.00 C ATOM 856 CD2 PHE A 54 4.791 3.797 2.170 1.00 0.00 C ATOM 857 CE1 PHE A 54 2.629 2.115 1.854 1.00 0.00 C ATOM 858 CE2 PHE A 54 3.538 4.190 2.585 1.00 0.00 C ATOM 859 CZ PHE A 54 2.458 3.351 2.425 1.00 0.00 C ATOM 0 H PHE A 54 7.274 1.907 3.475 1.00 0.00 H new ATOM 0 HA PHE A 54 6.138 0.028 1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.084 2.908 1.312 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.342 1.986 0.019 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.005 0.744 0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.630 4.464 2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.783 1.454 1.735 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.402 5.161 3.038 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.477 3.666 2.749 1.00 0.00 H new ATOM 869 N ALA A 55 8.119 -0.613 0.191 1.00 0.00 N ATOM 870 CA ALA A 55 9.218 -1.057 -0.661 1.00 0.00 C ATOM 871 C ALA A 55 9.101 -0.336 -2.010 1.00 0.00 C ATOM 872 O ALA A 55 7.988 0.024 -2.403 1.00 0.00 O ATOM 873 CB ALA A 55 9.140 -2.584 -0.832 1.00 0.00 C ATOM 0 H ALA A 55 7.261 -1.147 0.051 1.00 0.00 H new ATOM 0 HA ALA A 55 10.183 -0.817 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.959 -2.921 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.217 -3.064 0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.189 -2.850 -1.293 1.00 0.00 H new ATOM 879 N LEU A 56 10.230 -0.129 -2.716 1.00 0.00 N ATOM 880 CA LEU A 56 10.247 0.501 -4.064 1.00 0.00 C ATOM 881 C LEU A 56 9.363 -0.303 -5.053 1.00 0.00 C ATOM 882 O LEU A 56 8.777 0.273 -5.965 1.00 0.00 O ATOM 883 CB LEU A 56 11.726 0.629 -4.577 1.00 0.00 C ATOM 884 CG LEU A 56 12.039 1.676 -5.711 1.00 0.00 C ATOM 885 CD1 LEU A 56 11.600 1.215 -7.115 1.00 0.00 C ATOM 886 CD2 LEU A 56 11.441 3.052 -5.363 1.00 0.00 C ATOM 0 H LEU A 56 11.155 -0.390 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 56 9.827 1.504 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.355 0.870 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.039 -0.352 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 56 13.125 1.764 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.847 1.986 -7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.118 0.291 -7.373 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.524 1.041 -7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.669 3.760 -6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.360 2.962 -5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.870 3.409 -4.427 1.00 0.00 H new ATOM 898 N GLY A 57 9.247 -1.632 -4.820 1.00 0.00 N ATOM 899 CA GLY A 57 8.328 -2.488 -5.582 1.00 0.00 C ATOM 900 C GLY A 57 6.861 -2.087 -5.414 1.00 0.00 C ATOM 901 O GLY A 57 6.074 -2.120 -6.374 1.00 0.00 O ATOM 0 H GLY A 57 9.783 -2.128 -4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.592 -2.445 -6.639 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.455 -3.523 -5.263 1.00 0.00 H new ATOM 905 N GLU A 58 6.509 -1.686 -4.182 1.00 0.00 N ATOM 906 CA GLU A 58 5.161 -1.193 -3.833 1.00 0.00 C ATOM 907 C GLU A 58 4.962 0.257 -4.331 1.00 0.00 C ATOM 908 O GLU A 58 3.833 0.670 -4.607 1.00 0.00 O ATOM 909 CB GLU A 58 4.941 -1.307 -2.298 1.00 0.00 C ATOM 910 CG GLU A 58 5.192 -2.726 -1.748 1.00 0.00 C ATOM 911 CD GLU A 58 4.921 -2.853 -0.242 1.00 0.00 C ATOM 912 OE1 GLU A 58 5.718 -2.329 0.564 1.00 0.00 O ATOM 913 OE2 GLU A 58 3.908 -3.471 0.142 1.00 0.00 O ATOM 0 H GLU A 58 7.154 -1.694 -3.392 1.00 0.00 H new ATOM 0 HA GLU A 58 4.414 -1.810 -4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.603 -0.606 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.920 -1.009 -2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.559 -3.433 -2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.226 -3.008 -1.949 1.00 0.00 H new ATOM 920 N LEU A 59 6.079 1.004 -4.476 1.00 0.00 N ATOM 921 CA LEU A 59 6.101 2.353 -5.092 1.00 0.00 C ATOM 922 C LEU A 59 5.796 2.259 -6.605 1.00 0.00 C ATOM 923 O LEU A 59 5.124 3.130 -7.159 1.00 0.00 O ATOM 924 CB LEU A 59 7.479 3.056 -4.833 1.00 0.00 C ATOM 925 CG LEU A 59 7.629 3.895 -3.517 1.00 0.00 C ATOM 926 CD1 LEU A 59 6.913 5.245 -3.643 1.00 0.00 C ATOM 927 CD2 LEU A 59 7.130 3.132 -2.275 1.00 0.00 C ATOM 0 H LEU A 59 6.998 0.687 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 59 5.324 2.961 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.253 2.288 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.684 3.715 -5.677 1.00 0.00 H new ATOM 0 HG LEU A 59 8.695 4.075 -3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.032 5.808 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.345 5.810 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.853 5.078 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.255 3.756 -1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.075 2.886 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.706 2.214 -2.156 1.00 0.00 H new ATOM 939 N GLN A 60 6.304 1.188 -7.257 1.00 0.00 N ATOM 940 CA GLN A 60 5.958 0.853 -8.661 1.00 0.00 C ATOM 941 C GLN A 60 4.446 0.560 -8.841 1.00 0.00 C ATOM 942 O GLN A 60 3.940 0.574 -9.971 1.00 0.00 O ATOM 943 CB GLN A 60 6.791 -0.371 -9.149 1.00 0.00 C ATOM 944 CG GLN A 60 8.334 -0.216 -9.111 1.00 0.00 C ATOM 945 CD GLN A 60 8.916 0.861 -10.049 1.00 0.00 C ATOM 946 OE1 GLN A 60 8.296 1.885 -10.333 1.00 0.00 O ATOM 947 NE2 GLN A 60 10.115 0.632 -10.548 1.00 0.00 N ATOM 0 H GLN A 60 6.961 0.535 -6.830 1.00 0.00 H new ATOM 0 HA GLN A 60 6.201 1.727 -9.265 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.519 -1.233 -8.540 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.496 -0.598 -10.173 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.633 0.017 -8.089 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.785 -1.176 -9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.615 -0.222 -10.302 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.542 1.309 -11.180 1.00 0.00 H new ATOM 956 N LYS A 61 3.741 0.275 -7.726 1.00 0.00 N ATOM 957 CA LYS A 61 2.283 0.025 -7.726 1.00 0.00 C ATOM 958 C LYS A 61 1.466 1.294 -7.387 1.00 0.00 C ATOM 959 O LYS A 61 0.239 1.233 -7.372 1.00 0.00 O ATOM 960 CB LYS A 61 1.935 -1.120 -6.726 1.00 0.00 C ATOM 961 CG LYS A 61 2.533 -2.501 -7.077 1.00 0.00 C ATOM 962 CD LYS A 61 2.190 -2.945 -8.525 1.00 0.00 C ATOM 963 CE LYS A 61 2.474 -4.433 -8.780 1.00 0.00 C ATOM 964 NZ LYS A 61 1.564 -5.314 -8.002 1.00 0.00 N ATOM 0 H LYS A 61 4.166 0.212 -6.801 1.00 0.00 H new ATOM 0 HA LYS A 61 2.008 -0.275 -8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.282 -0.833 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.851 -1.215 -6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.616 -2.466 -6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.159 -3.245 -6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.137 -2.743 -8.721 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.766 -2.345 -9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.364 -4.646 -9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.508 -4.655 -8.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.634 -6.288 -8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.835 -5.294 -6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.585 -4.978 -8.103 1.00 0.00 H new ATOM 978 N LEU A 62 2.135 2.437 -7.139 1.00 0.00 N ATOM 979 CA LEU A 62 1.446 3.693 -6.757 1.00 0.00 C ATOM 980 C LEU A 62 1.275 4.597 -7.993 1.00 0.00 C ATOM 981 O LEU A 62 2.195 5.338 -8.363 1.00 0.00 O ATOM 982 CB LEU A 62 2.229 4.431 -5.624 1.00 0.00 C ATOM 983 CG LEU A 62 2.488 3.605 -4.323 1.00 0.00 C ATOM 984 CD1 LEU A 62 3.209 4.444 -3.249 1.00 0.00 C ATOM 985 CD2 LEU A 62 1.183 2.983 -3.777 1.00 0.00 C ATOM 0 H LEU A 62 3.150 2.520 -7.195 1.00 0.00 H new ATOM 0 HA LEU A 62 0.457 3.448 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.190 4.753 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.677 5.332 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 62 3.153 2.784 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.371 3.835 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.170 4.783 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.597 5.308 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.401 2.416 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.471 3.775 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.755 2.318 -4.527 1.00 0.00 H new ATOM 997 N LYS A 63 0.107 4.480 -8.659 1.00 0.00 N ATOM 998 CA LYS A 63 -0.258 5.311 -9.831 1.00 0.00 C ATOM 999 C LYS A 63 -1.251 6.405 -9.392 1.00 0.00 C ATOM 1000 O LYS A 63 -1.265 7.503 -9.944 1.00 0.00 O ATOM 1001 CB LYS A 63 -0.842 4.396 -10.964 1.00 0.00 C ATOM 1002 CG LYS A 63 -0.815 4.987 -12.401 1.00 0.00 C ATOM 1003 CD LYS A 63 -1.923 6.034 -12.690 1.00 0.00 C ATOM 1004 CE LYS A 63 -1.760 6.711 -14.064 1.00 0.00 C ATOM 1005 NZ LYS A 63 -2.815 7.719 -14.317 1.00 0.00 N ATOM 0 H LYS A 63 -0.613 3.805 -8.400 1.00 0.00 H new ATOM 0 HA LYS A 63 0.624 5.808 -10.236 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.287 3.458 -10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.874 4.154 -10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.157 5.450 -12.571 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.909 4.171 -13.117 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.897 5.548 -12.643 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.909 6.796 -11.911 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.782 7.189 -14.118 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.788 5.953 -14.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.181 7.604 -15.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.590 7.589 -13.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.416 8.673 -14.209 1.00 0.00 H new ATOM 1019 N ASN A 64 -2.069 6.098 -8.381 1.00 0.00 N ATOM 1020 CA ASN A 64 -3.021 7.063 -7.786 1.00 0.00 C ATOM 1021 C ASN A 64 -2.945 6.979 -6.252 1.00 0.00 C ATOM 1022 O ASN A 64 -2.297 6.083 -5.699 1.00 0.00 O ATOM 1023 CB ASN A 64 -4.492 6.788 -8.254 1.00 0.00 C ATOM 1024 CG ASN A 64 -4.753 6.983 -9.753 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -4.115 7.789 -10.425 1.00 0.00 O ATOM 1026 ND2 ASN A 64 -5.735 6.267 -10.280 1.00 0.00 N ATOM 0 H ASN A 64 -2.096 5.176 -7.946 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.743 8.062 -8.122 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.755 5.764 -7.987 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.161 7.444 -7.698 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.976 6.379 -11.265 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.250 5.604 -9.701 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.615 7.936 -5.586 1.00 0.00 N ATOM 1034 CA VAL A 65 -3.841 7.917 -4.125 1.00 0.00 C ATOM 1035 C VAL A 65 -4.778 6.752 -3.749 1.00 0.00 C ATOM 1036 O VAL A 65 -4.793 6.318 -2.604 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.461 9.267 -3.594 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.512 9.302 -2.048 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.693 10.481 -4.129 1.00 0.00 C ATOM 0 H VAL A 65 -4.019 8.751 -6.047 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.866 7.787 -3.656 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.484 9.316 -3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.945 10.247 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.125 8.477 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.502 9.207 -1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.145 11.396 -3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.654 10.426 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.733 10.486 -5.218 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.548 6.253 -4.737 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.376 5.063 -4.555 1.00 0.00 C ATOM 1051 C GLY A 66 -5.525 3.813 -4.372 1.00 0.00 C ATOM 1052 O GLY A 66 -5.820 2.982 -3.510 1.00 0.00 O ATOM 0 H GLY A 66 -5.608 6.664 -5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.020 5.196 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.028 4.937 -5.419 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.450 3.700 -5.189 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.428 2.636 -5.045 1.00 0.00 C ATOM 1058 C ASP A 67 -2.730 2.750 -3.690 1.00 0.00 C ATOM 1059 O ASP A 67 -2.488 1.745 -3.017 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.362 2.716 -6.173 1.00 0.00 C ATOM 1061 CG ASP A 67 -2.934 2.430 -7.569 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -3.102 1.244 -7.926 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -3.221 3.391 -8.318 1.00 0.00 O ATOM 0 H ASP A 67 -4.268 4.340 -5.962 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.943 1.678 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.912 3.709 -6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.565 2.004 -5.961 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.409 3.994 -3.306 1.00 0.00 N ATOM 1069 CA LEU A 68 -1.780 4.297 -2.009 1.00 0.00 C ATOM 1070 C LEU A 68 -2.755 4.043 -0.839 1.00 0.00 C ATOM 1071 O LEU A 68 -2.327 3.681 0.241 1.00 0.00 O ATOM 1072 CB LEU A 68 -1.256 5.759 -1.994 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.451 6.194 -0.725 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.803 5.308 -0.503 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -0.075 7.688 -0.807 1.00 0.00 C ATOM 0 H LEU A 68 -2.577 4.818 -3.883 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.932 3.625 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.621 5.904 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.109 6.429 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.097 6.051 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.333 5.644 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.497 4.270 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.462 5.386 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.484 7.972 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.539 7.861 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.982 8.288 -0.873 1.00 0.00 H new ATOM 1087 N ALA A 69 -4.064 4.199 -1.082 1.00 0.00 N ATOM 1088 CA ALA A 69 -5.114 3.940 -0.075 1.00 0.00 C ATOM 1089 C ALA A 69 -5.219 2.439 0.194 1.00 0.00 C ATOM 1090 O ALA A 69 -5.394 2.018 1.340 1.00 0.00 O ATOM 1091 CB ALA A 69 -6.464 4.503 -0.536 1.00 0.00 C ATOM 0 H ALA A 69 -4.430 4.509 -1.982 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.840 4.445 0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.221 4.300 0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.378 5.580 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.754 4.030 -1.474 1.00 0.00 H new ATOM 1097 N ASP A 70 -5.106 1.645 -0.890 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.042 0.174 -0.807 1.00 0.00 C ATOM 1099 C ASP A 70 -3.774 -0.248 -0.072 1.00 0.00 C ATOM 1100 O ASP A 70 -3.836 -1.071 0.823 1.00 0.00 O ATOM 1101 CB ASP A 70 -5.057 -0.495 -2.206 1.00 0.00 C ATOM 1102 CG ASP A 70 -6.337 -0.242 -3.006 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -7.443 -0.430 -2.458 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -6.243 0.140 -4.184 1.00 0.00 O ATOM 0 H ASP A 70 -5.057 2.005 -1.843 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.928 -0.155 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.205 -0.131 -2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.924 -1.570 -2.084 1.00 0.00 H new ATOM 1109 N LEU A 71 -2.638 0.374 -0.449 1.00 0.00 N ATOM 1110 CA LEU A 71 -1.296 0.000 0.053 1.00 0.00 C ATOM 1111 C LEU A 71 -1.202 0.250 1.579 1.00 0.00 C ATOM 1112 O LEU A 71 -0.790 -0.636 2.330 1.00 0.00 O ATOM 1113 CB LEU A 71 -0.162 0.775 -0.722 1.00 0.00 C ATOM 1114 CG LEU A 71 1.082 -0.068 -1.189 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.696 -0.884 -0.037 1.00 0.00 C ATOM 1116 CD2 LEU A 71 0.728 -0.968 -2.391 1.00 0.00 C ATOM 0 H LEU A 71 -2.623 1.150 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.147 -1.064 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.608 1.239 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.195 1.582 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 71 1.844 0.640 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.551 -1.449 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.022 -0.209 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.950 -1.573 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.608 -1.538 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.070 -1.654 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.396 -0.348 -3.224 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.608 1.464 2.012 1.00 0.00 N ATOM 1129 CA VAL A 72 -1.689 1.843 3.438 1.00 0.00 C ATOM 1130 C VAL A 72 -2.661 0.904 4.188 1.00 0.00 C ATOM 1131 O VAL A 72 -2.350 0.465 5.283 1.00 0.00 O ATOM 1132 CB VAL A 72 -2.116 3.356 3.624 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -2.355 3.716 5.119 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.055 4.306 3.005 1.00 0.00 C ATOM 0 H VAL A 72 -1.890 2.212 1.378 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.692 1.735 3.866 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.061 3.489 3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.646 4.763 5.199 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.149 3.087 5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.438 3.550 5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.368 5.341 3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.095 4.148 3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.956 4.097 1.940 1.00 0.00 H new ATOM 1144 N ASP A 73 -3.800 0.557 3.545 1.00 0.00 N ATOM 1145 CA ASP A 73 -4.827 -0.346 4.136 1.00 0.00 C ATOM 1146 C ASP A 73 -4.260 -1.764 4.346 1.00 0.00 C ATOM 1147 O ASP A 73 -4.593 -2.433 5.323 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.090 -0.398 3.234 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.291 -1.084 3.909 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -7.433 -2.316 3.783 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -8.093 -0.390 4.586 1.00 0.00 O ATOM 0 H ASP A 73 -4.036 0.889 2.610 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.109 0.056 5.109 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.370 0.617 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.848 -0.928 2.312 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.392 -2.186 3.417 1.00 0.00 N ATOM 1157 CA LYS A 74 -2.692 -3.483 3.495 1.00 0.00 C ATOM 1158 C LYS A 74 -1.705 -3.485 4.674 1.00 0.00 C ATOM 1159 O LYS A 74 -1.561 -4.489 5.376 1.00 0.00 O ATOM 1160 CB LYS A 74 -1.950 -3.800 2.170 1.00 0.00 C ATOM 1161 CG LYS A 74 -2.869 -4.033 0.949 1.00 0.00 C ATOM 1162 CD LYS A 74 -3.849 -5.220 1.121 1.00 0.00 C ATOM 1163 CE LYS A 74 -3.137 -6.574 1.242 1.00 0.00 C ATOM 1164 NZ LYS A 74 -4.101 -7.694 1.351 1.00 0.00 N ATOM 0 H LYS A 74 -3.153 -1.641 2.589 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.438 -4.261 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.272 -2.977 1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.335 -4.688 2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.442 -3.126 0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.250 -4.209 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.458 -5.055 2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.529 -5.248 0.270 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.498 -6.728 0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.488 -6.566 2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.582 -8.592 1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.694 -7.561 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.704 -7.717 0.504 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.065 -2.330 4.899 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.129 -2.132 6.013 1.00 0.00 C ATOM 1180 C LYS A 75 -0.887 -2.095 7.356 1.00 0.00 C ATOM 1181 O LYS A 75 -0.416 -2.633 8.357 1.00 0.00 O ATOM 1182 CB LYS A 75 0.652 -0.811 5.809 1.00 0.00 C ATOM 1183 CG LYS A 75 1.521 -0.754 4.536 1.00 0.00 C ATOM 1184 CD LYS A 75 2.615 -1.843 4.512 1.00 0.00 C ATOM 1185 CE LYS A 75 3.464 -1.796 3.237 1.00 0.00 C ATOM 1186 NZ LYS A 75 4.498 -2.856 3.239 1.00 0.00 N ATOM 0 H LYS A 75 -1.182 -1.504 4.312 1.00 0.00 H new ATOM 0 HA LYS A 75 0.572 -2.966 6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.060 0.013 5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.293 -0.649 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.882 -0.867 3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.990 0.228 4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.263 -1.722 5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.148 -2.824 4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.821 -1.914 2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.941 -0.820 3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.430 -2.432 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.282 -3.550 3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.509 -3.332 2.314 1.00 0.00 H new ATOM 1200 N LEU A 76 -2.078 -1.472 7.343 1.00 0.00 N ATOM 1201 CA LEU A 76 -2.961 -1.371 8.517 1.00 0.00 C ATOM 1202 C LEU A 76 -3.642 -2.722 8.797 1.00 0.00 C ATOM 1203 O LEU A 76 -4.111 -2.958 9.901 1.00 0.00 O ATOM 1204 CB LEU A 76 -4.022 -0.250 8.327 1.00 0.00 C ATOM 1205 CG LEU A 76 -3.470 1.195 8.103 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -4.614 2.230 7.990 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -2.432 1.588 9.185 1.00 0.00 C ATOM 0 H LEU A 76 -2.458 -1.021 6.511 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.348 -1.107 9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.649 -0.513 7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.667 -0.237 9.205 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.944 1.197 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.192 3.223 7.835 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.256 1.973 7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.201 2.225 8.908 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.072 2.599 8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.899 1.549 10.169 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.593 0.893 9.154 1.00 0.00 H new ATOM 1219 N ALA A 77 -3.728 -3.579 7.766 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.140 -4.986 7.916 1.00 0.00 C ATOM 1221 C ALA A 77 -3.085 -5.751 8.734 1.00 0.00 C ATOM 1222 O ALA A 77 -3.424 -6.487 9.667 1.00 0.00 O ATOM 1223 CB ALA A 77 -4.369 -5.639 6.538 1.00 0.00 C ATOM 0 H ALA A 77 -3.514 -3.316 6.804 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.087 -5.025 8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.672 -6.677 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.151 -5.099 6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.445 -5.603 5.960 1.00 0.00 H new ATOM 1229 N ARG A 78 -1.796 -5.523 8.396 1.00 0.00 N ATOM 1230 CA ARG A 78 -0.650 -6.161 9.093 1.00 0.00 C ATOM 1231 C ARG A 78 -0.517 -5.628 10.531 1.00 0.00 C ATOM 1232 O ARG A 78 -0.146 -6.377 11.441 1.00 0.00 O ATOM 1233 CB ARG A 78 0.683 -5.929 8.319 1.00 0.00 C ATOM 1234 CG ARG A 78 0.639 -6.321 6.828 1.00 0.00 C ATOM 1235 CD ARG A 78 0.159 -7.766 6.590 1.00 0.00 C ATOM 1236 NE ARG A 78 0.017 -8.063 5.150 1.00 0.00 N ATOM 1237 CZ ARG A 78 -0.932 -8.831 4.594 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -1.855 -9.429 5.336 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -0.951 -8.987 3.281 1.00 0.00 N ATOM 0 H ARG A 78 -1.519 -4.897 7.639 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.847 -7.232 9.130 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.953 -4.876 8.396 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.474 -6.498 8.807 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.022 -5.635 6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.634 -6.201 6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.867 -8.463 7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.798 -7.919 7.089 1.00 0.00 H new ATOM 0 HE ARG A 78 0.703 -7.646 4.521 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.852 -9.309 6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.568 -10.009 4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.249 -8.526 2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.668 -9.569 2.847 1.00 0.00 H new ATOM 1253 N LYS A 79 -0.851 -4.338 10.717 1.00 0.00 N ATOM 1254 CA LYS A 79 -0.801 -3.668 12.030 1.00 0.00 C ATOM 1255 C LYS A 79 -1.964 -4.144 12.912 1.00 0.00 C ATOM 1256 O LYS A 79 -1.740 -4.808 13.924 1.00 0.00 O ATOM 1257 CB LYS A 79 -0.835 -2.106 11.870 1.00 0.00 C ATOM 1258 CG LYS A 79 0.527 -1.453 11.536 1.00 0.00 C ATOM 1259 CD LYS A 79 1.566 -1.698 12.658 1.00 0.00 C ATOM 1260 CE LYS A 79 2.895 -0.984 12.422 1.00 0.00 C ATOM 1261 NZ LYS A 79 3.526 -1.391 11.144 1.00 0.00 N ATOM 0 H LYS A 79 -1.164 -3.730 9.960 1.00 0.00 H new ATOM 0 HA LYS A 79 0.139 -3.934 12.513 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.545 -1.852 11.083 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.213 -1.669 12.794 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.904 -1.856 10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.392 -0.381 11.392 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.148 -1.366 13.608 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.748 -2.769 12.746 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.732 0.094 12.418 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.574 -1.201 13.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.391 -0.834 10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.768 -2.402 11.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.863 -1.223 10.361 1.00 0.00 H new