USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 796 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 62 MET CE :methyl 166:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.076 USER MOD Single : A 4 THR OG1 : rot 151:sc= -1.89! USER MOD Single : A 5 SER OG : rot 180:sc= 0.352 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 9 CYS SG : rot -5:sc= 1.26 USER MOD Single : A 10 GLN : amide:sc= -1.55! C(o=-1.6!,f=-4.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.54 K(o=-1.5,f=-9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -33:sc= 0.203 USER MOD Single : A 28 TYR OH : rot 151:sc= 0.328 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0354 USER MOD Single : A 36 SER OG : rot 180:sc= -1.23 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -44:sc= 0.112 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 90:sc= -0.125 USER MOD Single : A 50 SER OG : rot -76:sc= 0.621 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0371 K(o=-0.037,f=-2.2!) USER MOD Single : A 70 GLN : amide:sc= -1.11! C(o=-1.1!,f=-6.3!) USER MOD Single : A 75 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.3) USER MOD Single : A 76 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.56) USER MOD Single : A 78 ASN : amide:sc= -0.0427 K(o=-0.043,f=-3.6!) USER MOD Single : A 82 ASN : amide:sc= -2.15 K(o=-2.2,f=-1.5) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0.105 K(o=0.11,f=-8!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 -1.933 3.802 -2.710 1.00 0.00 N ATOM 19 CA SER A 2 -2.126 5.207 -3.011 1.00 0.00 C ATOM 20 C SER A 2 -0.877 5.801 -3.650 1.00 0.00 C ATOM 21 O SER A 2 0.227 5.666 -3.120 1.00 0.00 O ATOM 22 CB SER A 2 -2.471 5.977 -1.734 1.00 0.00 C ATOM 23 OG SER A 2 -3.636 5.453 -1.118 1.00 0.00 O ATOM 0 HA SER A 2 -2.952 5.293 -3.717 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.634 5.926 -1.038 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.624 7.030 -1.971 1.00 0.00 H new ATOM 0 HG SER A 2 -3.688 4.488 -1.283 1.00 0.00 H new ATOM 29 N ILE A 3 -1.057 6.442 -4.796 1.00 0.00 N ATOM 30 CA ILE A 3 0.030 7.158 -5.444 1.00 0.00 C ATOM 31 C ILE A 3 0.340 8.415 -4.639 1.00 0.00 C ATOM 32 O ILE A 3 -0.575 9.089 -4.158 1.00 0.00 O ATOM 33 CB ILE A 3 -0.325 7.532 -6.902 1.00 0.00 C ATOM 34 CG1 ILE A 3 -0.790 6.291 -7.673 1.00 0.00 C ATOM 35 CG2 ILE A 3 0.865 8.181 -7.600 1.00 0.00 C ATOM 36 CD1 ILE A 3 0.219 5.164 -7.689 1.00 0.00 C ATOM 0 H ILE A 3 -1.946 6.480 -5.295 1.00 0.00 H new ATOM 0 HA ILE A 3 0.905 6.509 -5.479 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.141 8.254 -6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.718 5.928 -7.232 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.016 6.577 -8.700 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.592 8.435 -8.624 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.151 9.087 -7.065 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.704 7.486 -7.611 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.184 4.323 -8.253 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.141 5.508 -8.158 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.428 4.848 -6.667 1.00 0.00 H new ATOM 48 N THR A 4 1.614 8.739 -4.503 1.00 0.00 N ATOM 49 CA THR A 4 2.030 9.789 -3.591 1.00 0.00 C ATOM 50 C THR A 4 2.067 11.153 -4.274 1.00 0.00 C ATOM 51 O THR A 4 1.841 11.266 -5.481 1.00 0.00 O ATOM 52 CB THR A 4 3.417 9.468 -3.009 1.00 0.00 C ATOM 53 OG1 THR A 4 4.326 9.156 -4.073 1.00 0.00 O ATOM 54 CG2 THR A 4 3.335 8.295 -2.043 1.00 0.00 C ATOM 0 H THR A 4 2.376 8.291 -5.011 1.00 0.00 H new ATOM 0 HA THR A 4 1.294 9.833 -2.788 1.00 0.00 H new ATOM 0 HB THR A 4 3.777 10.341 -2.465 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.237 9.402 -3.808 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.326 8.084 -1.642 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.658 8.544 -1.225 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.961 7.416 -2.569 1.00 0.00 H new ATOM 62 N SER A 5 2.350 12.180 -3.484 1.00 0.00 N ATOM 63 CA SER A 5 2.393 13.554 -3.962 1.00 0.00 C ATOM 64 C SER A 5 3.673 13.803 -4.765 1.00 0.00 C ATOM 65 O SER A 5 4.397 12.863 -5.094 1.00 0.00 O ATOM 66 CB SER A 5 2.302 14.515 -2.771 1.00 0.00 C ATOM 67 OG SER A 5 2.053 15.847 -3.195 1.00 0.00 O ATOM 0 H SER A 5 2.557 12.082 -2.490 1.00 0.00 H new ATOM 0 HA SER A 5 1.544 13.730 -4.622 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.506 14.191 -2.100 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.231 14.481 -2.203 1.00 0.00 H new ATOM 0 HG SER A 5 1.999 16.435 -2.413 1.00 0.00 H new ATOM 73 N THR A 6 3.940 15.075 -5.067 1.00 0.00 N ATOM 74 CA THR A 6 5.078 15.492 -5.892 1.00 0.00 C ATOM 75 C THR A 6 6.400 14.863 -5.421 1.00 0.00 C ATOM 76 O THR A 6 7.344 14.715 -6.203 1.00 0.00 O ATOM 77 CB THR A 6 5.200 17.031 -5.866 1.00 0.00 C ATOM 78 OG1 THR A 6 3.912 17.614 -6.118 1.00 0.00 O ATOM 79 CG2 THR A 6 6.194 17.530 -6.906 1.00 0.00 C ATOM 0 H THR A 6 3.367 15.854 -4.743 1.00 0.00 H new ATOM 0 HA THR A 6 4.892 15.144 -6.908 1.00 0.00 H new ATOM 0 HB THR A 6 5.563 17.327 -4.882 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.986 18.591 -6.100 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.254 18.617 -6.859 1.00 0.00 H new ATOM 0 HG22 THR A 6 7.176 17.103 -6.705 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.864 17.227 -7.900 1.00 0.00 H new ATOM 87 N ASP A 7 6.449 14.477 -4.152 1.00 0.00 N ATOM 88 CA ASP A 7 7.608 13.794 -3.576 1.00 0.00 C ATOM 89 C ASP A 7 8.014 12.575 -4.405 1.00 0.00 C ATOM 90 O ASP A 7 9.181 12.190 -4.420 1.00 0.00 O ATOM 91 CB ASP A 7 7.294 13.349 -2.145 1.00 0.00 C ATOM 92 CG ASP A 7 7.026 14.514 -1.216 1.00 0.00 C ATOM 93 OD1 ASP A 7 5.925 15.109 -1.296 1.00 0.00 O ATOM 94 OD2 ASP A 7 7.915 14.849 -0.407 1.00 0.00 O ATOM 0 H ASP A 7 5.688 14.627 -3.490 1.00 0.00 H new ATOM 0 HA ASP A 7 8.439 14.499 -3.575 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.425 12.691 -2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.130 12.766 -1.758 1.00 0.00 H new ATOM 99 N ILE A 8 7.050 11.989 -5.109 1.00 0.00 N ATOM 100 CA ILE A 8 7.294 10.799 -5.916 1.00 0.00 C ATOM 101 C ILE A 8 8.319 11.074 -7.027 1.00 0.00 C ATOM 102 O ILE A 8 9.268 10.312 -7.205 1.00 0.00 O ATOM 103 CB ILE A 8 5.970 10.245 -6.511 1.00 0.00 C ATOM 104 CG1 ILE A 8 6.204 8.903 -7.204 1.00 0.00 C ATOM 105 CG2 ILE A 8 5.326 11.235 -7.476 1.00 0.00 C ATOM 106 CD1 ILE A 8 4.923 8.225 -7.639 1.00 0.00 C ATOM 0 H ILE A 8 6.086 12.322 -5.136 1.00 0.00 H new ATOM 0 HA ILE A 8 7.714 10.038 -5.258 1.00 0.00 H new ATOM 0 HB ILE A 8 5.281 10.094 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.840 9.058 -8.076 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.746 8.242 -6.528 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.403 10.810 -7.870 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.103 12.163 -6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.011 11.440 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.159 7.278 -8.124 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.295 8.040 -6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.391 8.868 -8.340 1.00 0.00 H new ATOM 118 N CYS A 9 8.141 12.175 -7.754 1.00 0.00 N ATOM 119 CA CYS A 9 9.069 12.544 -8.816 1.00 0.00 C ATOM 120 C CYS A 9 10.358 13.116 -8.230 1.00 0.00 C ATOM 121 O CYS A 9 11.422 13.046 -8.848 1.00 0.00 O ATOM 122 CB CYS A 9 8.425 13.536 -9.794 1.00 0.00 C ATOM 123 SG CYS A 9 7.794 15.053 -9.039 1.00 0.00 S ATOM 0 H CYS A 9 7.365 12.824 -7.626 1.00 0.00 H new ATOM 0 HA CYS A 9 9.318 11.642 -9.374 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.160 13.804 -10.553 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.605 13.035 -10.308 1.00 0.00 H new ATOM 0 HG CYS A 9 7.922 14.981 -7.747 1.00 0.00 H new ATOM 129 N GLN A 10 10.252 13.685 -7.034 1.00 0.00 N ATOM 130 CA GLN A 10 11.411 14.235 -6.339 1.00 0.00 C ATOM 131 C GLN A 10 12.355 13.117 -5.909 1.00 0.00 C ATOM 132 O GLN A 10 13.575 13.280 -5.916 1.00 0.00 O ATOM 133 CB GLN A 10 10.972 15.040 -5.116 1.00 0.00 C ATOM 134 CG GLN A 10 10.110 16.246 -5.454 1.00 0.00 C ATOM 135 CD GLN A 10 9.615 16.974 -4.219 1.00 0.00 C ATOM 136 OE1 GLN A 10 9.406 16.369 -3.170 1.00 0.00 O ATOM 137 NE2 GLN A 10 9.421 18.276 -4.335 1.00 0.00 N ATOM 0 H GLN A 10 9.373 13.778 -6.524 1.00 0.00 H new ATOM 0 HA GLN A 10 11.936 14.898 -7.027 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.418 14.387 -4.442 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.858 15.377 -4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.684 16.936 -6.072 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.255 15.922 -6.047 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.606 18.742 -5.223 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.086 18.815 -3.536 1.00 0.00 H new ATOM 146 N ALA A 11 11.782 11.978 -5.543 1.00 0.00 N ATOM 147 CA ALA A 11 12.566 10.829 -5.112 1.00 0.00 C ATOM 148 C ALA A 11 13.320 10.201 -6.282 1.00 0.00 C ATOM 149 O ALA A 11 14.289 9.470 -6.085 1.00 0.00 O ATOM 150 CB ALA A 11 11.671 9.801 -4.440 1.00 0.00 C ATOM 0 H ALA A 11 10.774 11.825 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 11 13.304 11.177 -4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.271 8.948 -4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.191 10.250 -3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.908 9.467 -5.144 1.00 0.00 H new ATOM 156 N ALA A 12 12.881 10.501 -7.504 1.00 0.00 N ATOM 157 CA ALA A 12 13.544 9.996 -8.704 1.00 0.00 C ATOM 158 C ALA A 12 14.926 10.624 -8.856 1.00 0.00 C ATOM 159 O ALA A 12 15.785 10.113 -9.573 1.00 0.00 O ATOM 160 CB ALA A 12 12.695 10.267 -9.938 1.00 0.00 C ATOM 0 H ALA A 12 12.070 11.091 -7.688 1.00 0.00 H new ATOM 0 HA ALA A 12 13.666 8.918 -8.601 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.205 9.884 -10.822 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.730 9.771 -9.832 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.541 11.341 -10.045 1.00 0.00 H new ATOM 166 N ASP A 13 15.131 11.729 -8.151 1.00 0.00 N ATOM 167 CA ASP A 13 16.406 12.434 -8.161 1.00 0.00 C ATOM 168 C ASP A 13 17.452 11.678 -7.337 1.00 0.00 C ATOM 169 O ASP A 13 18.657 11.895 -7.482 1.00 0.00 O ATOM 170 CB ASP A 13 16.208 13.851 -7.607 1.00 0.00 C ATOM 171 CG ASP A 13 17.496 14.640 -7.507 1.00 0.00 C ATOM 172 OD1 ASP A 13 17.953 15.175 -8.537 1.00 0.00 O ATOM 173 OD2 ASP A 13 18.050 14.741 -6.392 1.00 0.00 O ATOM 0 H ASP A 13 14.421 12.160 -7.559 1.00 0.00 H new ATOM 0 HA ASP A 13 16.769 12.495 -9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.509 14.389 -8.247 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.752 13.787 -6.619 1.00 0.00 H new ATOM 178 N ALA A 14 16.982 10.764 -6.493 1.00 0.00 N ATOM 179 CA ALA A 14 17.857 10.024 -5.590 1.00 0.00 C ATOM 180 C ALA A 14 18.378 8.739 -6.234 1.00 0.00 C ATOM 181 O ALA A 14 19.025 7.922 -5.576 1.00 0.00 O ATOM 182 CB ALA A 14 17.120 9.713 -4.294 1.00 0.00 C ATOM 0 H ALA A 14 15.995 10.517 -6.416 1.00 0.00 H new ATOM 0 HA ALA A 14 18.722 10.650 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.779 9.160 -3.624 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.815 10.644 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 14 16.238 9.112 -4.513 1.00 0.00 H new ATOM 188 N LEU A 15 18.091 8.563 -7.517 1.00 0.00 N ATOM 189 CA LEU A 15 18.596 7.416 -8.264 1.00 0.00 C ATOM 190 C LEU A 15 20.034 7.674 -8.702 1.00 0.00 C ATOM 191 O LEU A 15 20.393 8.804 -9.040 1.00 0.00 O ATOM 192 CB LEU A 15 17.715 7.126 -9.487 1.00 0.00 C ATOM 193 CG LEU A 15 16.435 6.317 -9.220 1.00 0.00 C ATOM 194 CD1 LEU A 15 15.504 7.051 -8.268 1.00 0.00 C ATOM 195 CD2 LEU A 15 15.719 6.010 -10.528 1.00 0.00 C ATOM 0 H LEU A 15 17.511 9.200 -8.063 1.00 0.00 H new ATOM 0 HA LEU A 15 18.570 6.543 -7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.432 8.076 -9.940 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.314 6.588 -10.222 1.00 0.00 H new ATOM 0 HG LEU A 15 16.726 5.379 -8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.609 6.452 -8.100 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.012 7.218 -7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.222 8.010 -8.702 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.815 5.437 -10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 15 15.452 6.943 -11.024 1.00 0.00 H new ATOM 0 HD23 LEU A 15 16.377 5.430 -11.175 1.00 0.00 H new ATOM 207 N LYS A 16 20.852 6.632 -8.701 1.00 0.00 N ATOM 208 CA LYS A 16 22.266 6.778 -9.018 1.00 0.00 C ATOM 209 C LYS A 16 22.648 5.897 -10.201 1.00 0.00 C ATOM 210 O LYS A 16 22.210 4.755 -10.301 1.00 0.00 O ATOM 211 CB LYS A 16 23.130 6.416 -7.804 1.00 0.00 C ATOM 212 CG LYS A 16 23.045 4.948 -7.411 1.00 0.00 C ATOM 213 CD LYS A 16 23.949 4.613 -6.240 1.00 0.00 C ATOM 214 CE LYS A 16 23.478 5.280 -4.959 1.00 0.00 C ATOM 215 NZ LYS A 16 24.167 4.726 -3.765 1.00 0.00 N ATOM 0 H LYS A 16 20.563 5.678 -8.485 1.00 0.00 H new ATOM 0 HA LYS A 16 22.445 7.820 -9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 16 24.169 6.666 -8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.825 7.029 -6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 16 22.015 4.702 -7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 16 23.317 4.329 -8.266 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.977 3.533 -6.099 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.967 4.932 -6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 16 23.660 6.353 -5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 16 22.402 5.145 -4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.820 5.206 -2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.972 3.707 -3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 25.192 4.877 -3.854 1.00 0.00 H new ATOM 229 N GLY A 17 23.453 6.437 -11.097 1.00 0.00 N ATOM 230 CA GLY A 17 23.928 5.660 -12.219 1.00 0.00 C ATOM 231 C GLY A 17 23.408 6.168 -13.547 1.00 0.00 C ATOM 232 O GLY A 17 22.675 7.160 -13.606 1.00 0.00 O ATOM 0 H GLY A 17 23.787 7.400 -11.068 1.00 0.00 H new ATOM 0 HA2 GLY A 17 25.018 5.676 -12.231 1.00 0.00 H new ATOM 0 HA3 GLY A 17 23.626 4.621 -12.089 1.00 0.00 H new ATOM 236 N PHE A 18 23.786 5.486 -14.614 1.00 0.00 N ATOM 237 CA PHE A 18 23.396 5.874 -15.957 1.00 0.00 C ATOM 238 C PHE A 18 22.738 4.699 -16.666 1.00 0.00 C ATOM 239 O PHE A 18 22.900 3.552 -16.257 1.00 0.00 O ATOM 240 CB PHE A 18 24.622 6.341 -16.748 1.00 0.00 C ATOM 241 CG PHE A 18 25.408 7.425 -16.063 1.00 0.00 C ATOM 242 CD1 PHE A 18 25.067 8.756 -16.229 1.00 0.00 C ATOM 243 CD2 PHE A 18 26.486 7.110 -15.251 1.00 0.00 C ATOM 244 CE1 PHE A 18 25.784 9.753 -15.598 1.00 0.00 C ATOM 245 CE2 PHE A 18 27.206 8.103 -14.618 1.00 0.00 C ATOM 246 CZ PHE A 18 26.855 9.426 -14.792 1.00 0.00 C ATOM 0 H PHE A 18 24.370 4.651 -14.574 1.00 0.00 H new ATOM 0 HA PHE A 18 22.683 6.696 -15.893 1.00 0.00 H new ATOM 0 HB2 PHE A 18 25.276 5.487 -16.925 1.00 0.00 H new ATOM 0 HB3 PHE A 18 24.298 6.702 -17.724 1.00 0.00 H new ATOM 0 HD1 PHE A 18 24.230 9.018 -16.860 1.00 0.00 H new ATOM 0 HD2 PHE A 18 26.766 6.076 -15.112 1.00 0.00 H new ATOM 0 HE1 PHE A 18 25.507 10.788 -15.735 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.044 7.845 -13.987 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.418 10.204 -14.298 1.00 0.00 H new ATOM 256 N VAL A 19 21.984 4.986 -17.711 1.00 0.00 N ATOM 257 CA VAL A 19 21.329 3.950 -18.496 1.00 0.00 C ATOM 258 C VAL A 19 21.548 4.230 -19.979 1.00 0.00 C ATOM 259 O VAL A 19 21.291 5.339 -20.454 1.00 0.00 O ATOM 260 CB VAL A 19 19.808 3.886 -18.206 1.00 0.00 C ATOM 261 CG1 VAL A 19 19.214 2.580 -18.705 1.00 0.00 C ATOM 262 CG2 VAL A 19 19.522 4.062 -16.724 1.00 0.00 C ATOM 0 H VAL A 19 21.808 5.935 -18.040 1.00 0.00 H new ATOM 0 HA VAL A 19 21.765 2.990 -18.219 1.00 0.00 H new ATOM 0 HB VAL A 19 19.337 4.709 -18.744 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.146 2.560 -18.489 1.00 0.00 H new ATOM 0 HG12 VAL A 19 19.369 2.498 -19.781 1.00 0.00 H new ATOM 0 HG13 VAL A 19 19.701 1.744 -18.203 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.447 4.012 -16.553 1.00 0.00 H new ATOM 0 HG22 VAL A 19 20.016 3.270 -16.162 1.00 0.00 H new ATOM 0 HG23 VAL A 19 19.898 5.030 -16.393 1.00 0.00 H new ATOM 272 N GLY A 20 22.030 3.233 -20.702 1.00 0.00 N ATOM 273 CA GLY A 20 22.335 3.416 -22.105 1.00 0.00 C ATOM 274 C GLY A 20 22.132 2.143 -22.896 1.00 0.00 C ATOM 275 O GLY A 20 21.889 1.086 -22.320 1.00 0.00 O ATOM 0 H GLY A 20 22.216 2.297 -20.342 1.00 0.00 H new ATOM 0 HA2 GLY A 20 21.702 4.203 -22.515 1.00 0.00 H new ATOM 0 HA3 GLY A 20 23.367 3.749 -22.212 1.00 0.00 H new ATOM 279 N PHE A 21 22.228 2.232 -24.210 1.00 0.00 N ATOM 280 CA PHE A 21 22.009 1.071 -25.056 1.00 0.00 C ATOM 281 C PHE A 21 23.316 0.327 -25.307 1.00 0.00 C ATOM 282 O PHE A 21 24.324 0.927 -25.675 1.00 0.00 O ATOM 283 CB PHE A 21 21.374 1.484 -26.387 1.00 0.00 C ATOM 284 CG PHE A 21 21.000 0.314 -27.249 1.00 0.00 C ATOM 285 CD1 PHE A 21 19.832 -0.392 -27.011 1.00 0.00 C ATOM 286 CD2 PHE A 21 21.819 -0.086 -28.292 1.00 0.00 C ATOM 287 CE1 PHE A 21 19.488 -1.475 -27.795 1.00 0.00 C ATOM 288 CE2 PHE A 21 21.480 -1.168 -29.079 1.00 0.00 C ATOM 289 CZ PHE A 21 20.314 -1.863 -28.831 1.00 0.00 C ATOM 0 H PHE A 21 22.455 3.090 -24.713 1.00 0.00 H new ATOM 0 HA PHE A 21 21.325 0.401 -24.535 1.00 0.00 H new ATOM 0 HB2 PHE A 21 20.484 2.081 -26.188 1.00 0.00 H new ATOM 0 HB3 PHE A 21 22.070 2.122 -26.932 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.183 -0.091 -26.202 1.00 0.00 H new ATOM 0 HD2 PHE A 21 22.732 0.454 -28.492 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.575 -2.017 -27.598 1.00 0.00 H new ATOM 0 HE2 PHE A 21 22.127 -1.471 -29.889 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.048 -2.710 -29.447 1.00 0.00 H new ATOM 299 N ASN A 22 23.292 -0.982 -25.109 1.00 0.00 N ATOM 300 CA ASN A 22 24.462 -1.814 -25.347 1.00 0.00 C ATOM 301 C ASN A 22 24.221 -2.694 -26.569 1.00 0.00 C ATOM 302 O ASN A 22 23.491 -3.685 -26.502 1.00 0.00 O ATOM 303 CB ASN A 22 24.770 -2.669 -24.108 1.00 0.00 C ATOM 304 CG ASN A 22 26.060 -3.467 -24.227 1.00 0.00 C ATOM 305 OD1 ASN A 22 26.439 -3.917 -25.307 1.00 0.00 O ATOM 306 ND2 ASN A 22 26.742 -3.649 -23.107 1.00 0.00 N ATOM 0 H ASN A 22 22.472 -1.493 -24.783 1.00 0.00 H new ATOM 0 HA ASN A 22 25.326 -1.177 -25.538 1.00 0.00 H new ATOM 0 HB2 ASN A 22 24.833 -2.020 -23.235 1.00 0.00 H new ATOM 0 HB3 ASN A 22 23.942 -3.356 -23.935 1.00 0.00 H new ATOM 0 HD21 ASN A 22 27.614 -4.178 -23.121 1.00 0.00 H new ATOM 0 HD22 ASN A 22 26.395 -3.260 -22.230 1.00 0.00 H new ATOM 313 N ARG A 23 24.829 -2.313 -27.685 1.00 0.00 N ATOM 314 CA ARG A 23 24.619 -2.996 -28.959 1.00 0.00 C ATOM 315 C ARG A 23 25.279 -4.371 -28.986 1.00 0.00 C ATOM 316 O ARG A 23 24.888 -5.230 -29.772 1.00 0.00 O ATOM 317 CB ARG A 23 25.159 -2.143 -30.107 1.00 0.00 C ATOM 318 CG ARG A 23 26.660 -1.911 -30.041 1.00 0.00 C ATOM 319 CD ARG A 23 27.113 -0.926 -31.101 1.00 0.00 C ATOM 320 NE ARG A 23 26.485 0.378 -30.920 1.00 0.00 N ATOM 321 CZ ARG A 23 26.467 1.333 -31.844 1.00 0.00 C ATOM 322 NH1 ARG A 23 27.062 1.144 -33.017 1.00 0.00 N ATOM 323 NH2 ARG A 23 25.852 2.480 -31.593 1.00 0.00 N ATOM 0 H ARG A 23 25.478 -1.527 -27.735 1.00 0.00 H new ATOM 0 HA ARG A 23 23.545 -3.139 -29.079 1.00 0.00 H new ATOM 0 HB2 ARG A 23 24.916 -2.627 -31.053 1.00 0.00 H new ATOM 0 HB3 ARG A 23 24.650 -1.179 -30.102 1.00 0.00 H new ATOM 0 HG2 ARG A 23 26.929 -1.535 -29.054 1.00 0.00 H new ATOM 0 HG3 ARG A 23 27.183 -2.858 -30.175 1.00 0.00 H new ATOM 0 HD2 ARG A 23 28.197 -0.818 -31.060 1.00 0.00 H new ATOM 0 HD3 ARG A 23 26.869 -1.315 -32.089 1.00 0.00 H new ATOM 0 HE ARG A 23 26.031 0.569 -30.027 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.536 0.262 -33.212 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.045 1.881 -33.722 1.00 0.00 H new ATOM 0 HH21 ARG A 23 25.395 2.627 -30.693 1.00 0.00 H new ATOM 0 HH22 ARG A 23 25.836 3.215 -32.300 1.00 0.00 H new ATOM 337 N LYS A 24 26.268 -4.583 -28.127 1.00 0.00 N ATOM 338 CA LYS A 24 27.001 -5.842 -28.118 1.00 0.00 C ATOM 339 C LYS A 24 26.085 -6.967 -27.647 1.00 0.00 C ATOM 340 O LYS A 24 26.085 -8.058 -28.210 1.00 0.00 O ATOM 341 CB LYS A 24 28.242 -5.738 -27.219 1.00 0.00 C ATOM 342 CG LYS A 24 29.426 -6.579 -27.690 1.00 0.00 C ATOM 343 CD LYS A 24 29.155 -8.074 -27.602 1.00 0.00 C ATOM 344 CE LYS A 24 29.081 -8.551 -26.160 1.00 0.00 C ATOM 345 NZ LYS A 24 28.783 -10.005 -26.073 1.00 0.00 N ATOM 0 H LYS A 24 26.579 -3.904 -27.432 1.00 0.00 H new ATOM 0 HA LYS A 24 27.338 -6.064 -29.131 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.551 -4.694 -27.164 1.00 0.00 H new ATOM 0 HB3 LYS A 24 27.972 -6.044 -26.208 1.00 0.00 H new ATOM 0 HG2 LYS A 24 29.666 -6.317 -28.721 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.302 -6.336 -27.088 1.00 0.00 H new ATOM 0 HD2 LYS A 24 28.218 -8.304 -28.109 1.00 0.00 H new ATOM 0 HD3 LYS A 24 29.942 -8.617 -28.125 1.00 0.00 H new ATOM 0 HE2 LYS A 24 30.027 -8.343 -25.660 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.311 -7.990 -25.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.741 -10.292 -25.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 27.868 -10.200 -26.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.531 -10.542 -26.556 1.00 0.00 H new ATOM 359 N THR A 25 25.298 -6.691 -26.618 1.00 0.00 N ATOM 360 CA THR A 25 24.343 -7.666 -26.117 1.00 0.00 C ATOM 361 C THR A 25 22.965 -7.444 -26.745 1.00 0.00 C ATOM 362 O THR A 25 22.092 -8.303 -26.657 1.00 0.00 O ATOM 363 CB THR A 25 24.243 -7.623 -24.574 1.00 0.00 C ATOM 364 OG1 THR A 25 23.309 -8.605 -24.102 1.00 0.00 O ATOM 365 CG2 THR A 25 23.822 -6.245 -24.090 1.00 0.00 C ATOM 0 H THR A 25 25.302 -5.803 -26.116 1.00 0.00 H new ATOM 0 HA THR A 25 24.704 -8.654 -26.401 1.00 0.00 H new ATOM 0 HB THR A 25 25.232 -7.846 -24.173 1.00 0.00 H new ATOM 0 HG1 THR A 25 22.591 -8.716 -24.760 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.760 -6.245 -23.002 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.556 -5.506 -24.412 1.00 0.00 H new ATOM 0 HG23 THR A 25 22.847 -5.994 -24.509 1.00 0.00 H new ATOM 373 N GLY A 26 22.783 -6.282 -27.366 1.00 0.00 N ATOM 374 CA GLY A 26 21.560 -6.003 -28.098 1.00 0.00 C ATOM 375 C GLY A 26 20.392 -5.640 -27.201 1.00 0.00 C ATOM 376 O GLY A 26 19.264 -6.062 -27.447 1.00 0.00 O ATOM 0 H GLY A 26 23.466 -5.524 -27.375 1.00 0.00 H new ATOM 0 HA2 GLY A 26 21.741 -5.185 -28.795 1.00 0.00 H new ATOM 0 HA3 GLY A 26 21.294 -6.877 -28.693 1.00 0.00 H new ATOM 380 N ARG A 27 20.651 -4.856 -26.163 1.00 0.00 N ATOM 381 CA ARG A 27 19.589 -4.415 -25.262 1.00 0.00 C ATOM 382 C ARG A 27 19.957 -3.104 -24.586 1.00 0.00 C ATOM 383 O ARG A 27 21.102 -2.652 -24.661 1.00 0.00 O ATOM 384 CB ARG A 27 19.299 -5.466 -24.188 1.00 0.00 C ATOM 385 CG ARG A 27 20.504 -5.803 -23.327 1.00 0.00 C ATOM 386 CD ARG A 27 20.103 -6.490 -22.033 1.00 0.00 C ATOM 387 NE ARG A 27 19.357 -7.726 -22.258 1.00 0.00 N ATOM 388 CZ ARG A 27 18.837 -8.463 -21.275 1.00 0.00 C ATOM 389 NH1 ARG A 27 18.995 -8.090 -20.008 1.00 0.00 N ATOM 390 NH2 ARG A 27 18.164 -9.570 -21.559 1.00 0.00 N ATOM 0 H ARG A 27 21.581 -4.513 -25.923 1.00 0.00 H new ATOM 0 HA ARG A 27 18.695 -4.270 -25.869 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.494 -5.106 -23.547 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.941 -6.376 -24.669 1.00 0.00 H new ATOM 0 HG2 ARG A 27 21.180 -6.449 -23.886 1.00 0.00 H new ATOM 0 HG3 ARG A 27 21.053 -4.890 -23.098 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.998 -6.711 -21.452 1.00 0.00 H new ATOM 0 HD3 ARG A 27 19.497 -5.808 -21.437 1.00 0.00 H new ATOM 0 HE ARG A 27 19.227 -8.043 -23.219 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.514 -7.240 -19.788 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.597 -8.654 -19.257 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.044 -9.859 -22.530 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.767 -10.133 -20.807 1.00 0.00 H new ATOM 404 N TYR A 28 18.980 -2.504 -23.926 1.00 0.00 N ATOM 405 CA TYR A 28 19.208 -1.296 -23.151 1.00 0.00 C ATOM 406 C TYR A 28 19.611 -1.695 -21.734 1.00 0.00 C ATOM 407 O TYR A 28 18.923 -2.487 -21.089 1.00 0.00 O ATOM 408 CB TYR A 28 17.939 -0.438 -23.135 1.00 0.00 C ATOM 409 CG TYR A 28 18.202 1.050 -23.069 1.00 0.00 C ATOM 410 CD1 TYR A 28 18.496 1.771 -24.219 1.00 0.00 C ATOM 411 CD2 TYR A 28 18.152 1.732 -21.865 1.00 0.00 C ATOM 412 CE1 TYR A 28 18.735 3.131 -24.168 1.00 0.00 C ATOM 413 CE2 TYR A 28 18.389 3.091 -21.806 1.00 0.00 C ATOM 414 CZ TYR A 28 18.681 3.786 -22.957 1.00 0.00 C ATOM 415 OH TYR A 28 18.922 5.142 -22.894 1.00 0.00 O ATOM 0 H TYR A 28 18.016 -2.837 -23.912 1.00 0.00 H new ATOM 0 HA TYR A 28 20.007 -0.706 -23.600 1.00 0.00 H new ATOM 0 HB2 TYR A 28 17.356 -0.654 -24.030 1.00 0.00 H new ATOM 0 HB3 TYR A 28 17.329 -0.727 -22.279 1.00 0.00 H new ATOM 0 HD1 TYR A 28 18.539 1.260 -25.169 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.924 1.192 -20.958 1.00 0.00 H new ATOM 0 HE1 TYR A 28 18.963 3.677 -25.072 1.00 0.00 H new ATOM 0 HE2 TYR A 28 18.345 3.607 -20.858 1.00 0.00 H new ATOM 0 HH TYR A 28 18.425 5.528 -22.142 1.00 0.00 H new ATOM 425 N ILE A 29 20.727 -1.165 -21.260 1.00 0.00 N ATOM 426 CA ILE A 29 21.294 -1.596 -19.989 1.00 0.00 C ATOM 427 C ILE A 29 21.583 -0.416 -19.078 1.00 0.00 C ATOM 428 O ILE A 29 21.620 0.734 -19.516 1.00 0.00 O ATOM 429 CB ILE A 29 22.621 -2.357 -20.184 1.00 0.00 C ATOM 430 CG1 ILE A 29 23.638 -1.458 -20.893 1.00 0.00 C ATOM 431 CG2 ILE A 29 22.400 -3.643 -20.967 1.00 0.00 C ATOM 432 CD1 ILE A 29 25.058 -1.643 -20.410 1.00 0.00 C ATOM 0 H ILE A 29 21.259 -0.436 -21.735 1.00 0.00 H new ATOM 0 HA ILE A 29 20.547 -2.250 -19.539 1.00 0.00 H new ATOM 0 HB ILE A 29 23.014 -2.628 -19.204 1.00 0.00 H new ATOM 0 HG12 ILE A 29 23.600 -1.657 -21.964 1.00 0.00 H new ATOM 0 HG13 ILE A 29 23.349 -0.417 -20.752 1.00 0.00 H new ATOM 0 HG21 ILE A 29 23.351 -4.161 -21.091 1.00 0.00 H new ATOM 0 HG22 ILE A 29 21.705 -4.284 -20.425 1.00 0.00 H new ATOM 0 HG23 ILE A 29 21.985 -3.406 -21.947 1.00 0.00 H new ATOM 0 HD11 ILE A 29 25.719 -0.973 -20.959 1.00 0.00 H new ATOM 0 HD12 ILE A 29 25.113 -1.415 -19.345 1.00 0.00 H new ATOM 0 HD13 ILE A 29 25.368 -2.675 -20.577 1.00 0.00 H new ATOM 444 N VAL A 30 21.809 -0.717 -17.814 1.00 0.00 N ATOM 445 CA VAL A 30 22.272 0.277 -16.865 1.00 0.00 C ATOM 446 C VAL A 30 23.789 0.191 -16.724 1.00 0.00 C ATOM 447 O VAL A 30 24.383 -0.875 -16.903 1.00 0.00 O ATOM 448 CB VAL A 30 21.621 0.101 -15.478 1.00 0.00 C ATOM 449 CG1 VAL A 30 20.122 0.345 -15.556 1.00 0.00 C ATOM 450 CG2 VAL A 30 21.913 -1.282 -14.918 1.00 0.00 C ATOM 0 H VAL A 30 21.678 -1.648 -17.419 1.00 0.00 H new ATOM 0 HA VAL A 30 21.983 1.255 -17.250 1.00 0.00 H new ATOM 0 HB VAL A 30 22.053 0.839 -14.802 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.680 0.216 -14.568 1.00 0.00 H new ATOM 0 HG12 VAL A 30 19.936 1.360 -15.907 1.00 0.00 H new ATOM 0 HG13 VAL A 30 19.673 -0.366 -16.249 1.00 0.00 H new ATOM 0 HG21 VAL A 30 21.444 -1.385 -13.939 1.00 0.00 H new ATOM 0 HG22 VAL A 30 21.514 -2.039 -15.593 1.00 0.00 H new ATOM 0 HG23 VAL A 30 22.990 -1.415 -14.820 1.00 0.00 H new ATOM 460 N ARG A 31 24.414 1.310 -16.424 1.00 0.00 N ATOM 461 CA ARG A 31 25.847 1.352 -16.215 1.00 0.00 C ATOM 462 C ARG A 31 26.155 2.371 -15.128 1.00 0.00 C ATOM 463 O ARG A 31 25.637 3.483 -15.153 1.00 0.00 O ATOM 464 CB ARG A 31 26.565 1.717 -17.519 1.00 0.00 C ATOM 465 CG ARG A 31 28.023 1.282 -17.573 1.00 0.00 C ATOM 466 CD ARG A 31 28.170 -0.222 -17.800 1.00 0.00 C ATOM 467 NE ARG A 31 27.610 -1.016 -16.704 1.00 0.00 N ATOM 468 CZ ARG A 31 28.334 -1.795 -15.899 1.00 0.00 C ATOM 469 NH1 ARG A 31 29.634 -1.962 -16.115 1.00 0.00 N ATOM 470 NH2 ARG A 31 27.748 -2.440 -14.902 1.00 0.00 N ATOM 0 H ARG A 31 23.947 2.211 -16.319 1.00 0.00 H new ATOM 0 HA ARG A 31 26.202 0.370 -15.902 1.00 0.00 H new ATOM 0 HB2 ARG A 31 26.031 1.263 -18.354 1.00 0.00 H new ATOM 0 HB3 ARG A 31 26.515 2.797 -17.658 1.00 0.00 H new ATOM 0 HG2 ARG A 31 28.531 1.820 -18.374 1.00 0.00 H new ATOM 0 HG3 ARG A 31 28.517 1.557 -16.641 1.00 0.00 H new ATOM 0 HD2 ARG A 31 27.674 -0.495 -18.731 1.00 0.00 H new ATOM 0 HD3 ARG A 31 29.226 -0.466 -17.918 1.00 0.00 H new ATOM 0 HE ARG A 31 26.603 -0.970 -16.546 1.00 0.00 H new ATOM 0 HH11 ARG A 31 30.085 -1.493 -16.901 1.00 0.00 H new ATOM 0 HH12 ARG A 31 30.181 -2.559 -15.495 1.00 0.00 H new ATOM 0 HH21 ARG A 31 26.744 -2.341 -14.750 1.00 0.00 H new ATOM 0 HH22 ARG A 31 28.300 -3.036 -14.286 1.00 0.00 H new ATOM 484 N PHE A 32 26.985 1.989 -14.169 1.00 0.00 N ATOM 485 CA PHE A 32 27.247 2.835 -13.010 1.00 0.00 C ATOM 486 C PHE A 32 28.046 4.077 -13.399 1.00 0.00 C ATOM 487 O PHE A 32 27.901 5.134 -12.791 1.00 0.00 O ATOM 488 CB PHE A 32 27.985 2.037 -11.933 1.00 0.00 C ATOM 489 CG PHE A 32 28.048 2.731 -10.603 1.00 0.00 C ATOM 490 CD1 PHE A 32 26.933 2.779 -9.781 1.00 0.00 C ATOM 491 CD2 PHE A 32 29.220 3.330 -10.172 1.00 0.00 C ATOM 492 CE1 PHE A 32 26.985 3.415 -8.556 1.00 0.00 C ATOM 493 CE2 PHE A 32 29.278 3.967 -8.948 1.00 0.00 C ATOM 494 CZ PHE A 32 28.159 4.008 -8.139 1.00 0.00 C ATOM 0 H PHE A 32 27.488 1.102 -14.168 1.00 0.00 H new ATOM 0 HA PHE A 32 26.290 3.169 -12.610 1.00 0.00 H new ATOM 0 HB2 PHE A 32 27.493 1.073 -11.807 1.00 0.00 H new ATOM 0 HB3 PHE A 32 29.000 1.834 -12.275 1.00 0.00 H new ATOM 0 HD1 PHE A 32 26.013 2.314 -10.102 1.00 0.00 H new ATOM 0 HD2 PHE A 32 30.098 3.299 -10.800 1.00 0.00 H new ATOM 0 HE1 PHE A 32 26.109 3.448 -7.926 1.00 0.00 H new ATOM 0 HE2 PHE A 32 30.197 4.432 -8.624 1.00 0.00 H new ATOM 0 HZ PHE A 32 28.203 4.504 -7.181 1.00 0.00 H new ATOM 504 N SER A 33 28.877 3.946 -14.422 1.00 0.00 N ATOM 505 CA SER A 33 29.689 5.056 -14.886 1.00 0.00 C ATOM 506 C SER A 33 29.669 5.132 -16.408 1.00 0.00 C ATOM 507 O SER A 33 29.592 4.105 -17.087 1.00 0.00 O ATOM 508 CB SER A 33 31.127 4.904 -14.385 1.00 0.00 C ATOM 509 OG SER A 33 31.954 5.949 -14.870 1.00 0.00 O ATOM 0 H SER A 33 29.005 3.080 -14.946 1.00 0.00 H new ATOM 0 HA SER A 33 29.272 5.981 -14.487 1.00 0.00 H new ATOM 0 HB2 SER A 33 31.137 4.905 -13.295 1.00 0.00 H new ATOM 0 HB3 SER A 33 31.527 3.942 -14.706 1.00 0.00 H new ATOM 0 HG SER A 33 32.866 5.828 -14.533 1.00 0.00 H new ATOM 515 N GLU A 34 29.736 6.349 -16.937 1.00 0.00 N ATOM 516 CA GLU A 34 29.790 6.559 -18.378 1.00 0.00 C ATOM 517 C GLU A 34 31.128 6.081 -18.933 1.00 0.00 C ATOM 518 O GLU A 34 31.222 5.664 -20.081 1.00 0.00 O ATOM 519 CB GLU A 34 29.583 8.037 -18.720 1.00 0.00 C ATOM 520 CG GLU A 34 28.199 8.562 -18.374 1.00 0.00 C ATOM 521 CD GLU A 34 27.984 9.986 -18.849 1.00 0.00 C ATOM 522 OE1 GLU A 34 28.031 10.219 -20.073 1.00 0.00 O ATOM 523 OE2 GLU A 34 27.774 10.885 -18.004 1.00 0.00 O ATOM 0 H GLU A 34 29.754 7.207 -16.387 1.00 0.00 H new ATOM 0 HA GLU A 34 28.987 5.981 -18.835 1.00 0.00 H new ATOM 0 HB2 GLU A 34 30.329 8.630 -18.190 1.00 0.00 H new ATOM 0 HB3 GLU A 34 29.759 8.181 -19.786 1.00 0.00 H new ATOM 0 HG2 GLU A 34 27.445 7.915 -18.823 1.00 0.00 H new ATOM 0 HG3 GLU A 34 28.056 8.517 -17.294 1.00 0.00 H new ATOM 530 N ASP A 35 32.154 6.119 -18.090 1.00 0.00 N ATOM 531 CA ASP A 35 33.504 5.725 -18.491 1.00 0.00 C ATOM 532 C ASP A 35 33.608 4.211 -18.667 1.00 0.00 C ATOM 533 O ASP A 35 34.537 3.705 -19.294 1.00 0.00 O ATOM 534 CB ASP A 35 34.517 6.210 -17.445 1.00 0.00 C ATOM 535 CG ASP A 35 35.925 5.696 -17.692 1.00 0.00 C ATOM 536 OD1 ASP A 35 36.612 6.227 -18.588 1.00 0.00 O ATOM 537 OD2 ASP A 35 36.353 4.755 -16.984 1.00 0.00 O ATOM 0 H ASP A 35 32.078 6.420 -17.118 1.00 0.00 H new ATOM 0 HA ASP A 35 33.727 6.189 -19.452 1.00 0.00 H new ATOM 0 HB2 ASP A 35 34.531 7.300 -17.440 1.00 0.00 H new ATOM 0 HB3 ASP A 35 34.189 5.891 -16.456 1.00 0.00 H new ATOM 542 N SER A 36 32.625 3.492 -18.144 1.00 0.00 N ATOM 543 CA SER A 36 32.662 2.036 -18.136 1.00 0.00 C ATOM 544 C SER A 36 32.320 1.438 -19.506 1.00 0.00 C ATOM 545 O SER A 36 32.201 0.220 -19.639 1.00 0.00 O ATOM 546 CB SER A 36 31.693 1.504 -17.082 1.00 0.00 C ATOM 547 OG SER A 36 31.940 2.095 -15.815 1.00 0.00 O ATOM 0 H SER A 36 31.790 3.894 -17.719 1.00 0.00 H new ATOM 0 HA SER A 36 33.681 1.734 -17.895 1.00 0.00 H new ATOM 0 HB2 SER A 36 30.668 1.710 -17.389 1.00 0.00 H new ATOM 0 HB3 SER A 36 31.791 0.421 -17.007 1.00 0.00 H new ATOM 0 HG SER A 36 31.305 1.739 -15.159 1.00 0.00 H new ATOM 553 N PHE A 37 32.167 2.282 -20.519 1.00 0.00 N ATOM 554 CA PHE A 37 31.863 1.803 -21.865 1.00 0.00 C ATOM 555 C PHE A 37 33.142 1.488 -22.639 1.00 0.00 C ATOM 556 O PHE A 37 34.242 1.576 -22.093 1.00 0.00 O ATOM 557 CB PHE A 37 31.006 2.820 -22.641 1.00 0.00 C ATOM 558 CG PHE A 37 31.595 4.204 -22.810 1.00 0.00 C ATOM 559 CD1 PHE A 37 32.921 4.483 -22.503 1.00 0.00 C ATOM 560 CD2 PHE A 37 30.801 5.232 -23.292 1.00 0.00 C ATOM 561 CE1 PHE A 37 33.436 5.752 -22.673 1.00 0.00 C ATOM 562 CE2 PHE A 37 31.312 6.503 -23.463 1.00 0.00 C ATOM 563 CZ PHE A 37 32.630 6.763 -23.153 1.00 0.00 C ATOM 0 H PHE A 37 32.247 3.296 -20.437 1.00 0.00 H new ATOM 0 HA PHE A 37 31.288 0.883 -21.760 1.00 0.00 H new ATOM 0 HB2 PHE A 37 30.803 2.411 -23.631 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.046 2.916 -22.133 1.00 0.00 H new ATOM 0 HD1 PHE A 37 33.557 3.696 -22.126 1.00 0.00 H new ATOM 0 HD2 PHE A 37 29.768 5.036 -23.537 1.00 0.00 H new ATOM 0 HE1 PHE A 37 34.469 5.953 -22.430 1.00 0.00 H new ATOM 0 HE2 PHE A 37 30.680 7.293 -23.839 1.00 0.00 H new ATOM 0 HZ PHE A 37 33.031 7.757 -23.286 1.00 0.00 H new ATOM 573 N GLY A 38 32.991 1.115 -23.901 1.00 0.00 N ATOM 574 CA GLY A 38 34.141 0.895 -24.752 1.00 0.00 C ATOM 575 C GLY A 38 33.994 1.617 -26.070 1.00 0.00 C ATOM 576 O GLY A 38 33.817 2.836 -26.100 1.00 0.00 O ATOM 0 H GLY A 38 32.089 0.960 -24.352 1.00 0.00 H new ATOM 0 HA2 GLY A 38 35.042 1.239 -24.245 1.00 0.00 H new ATOM 0 HA3 GLY A 38 34.264 -0.173 -24.932 1.00 0.00 H new ATOM 580 N MET A 39 34.059 0.872 -27.161 1.00 0.00 N ATOM 581 CA MET A 39 33.793 1.432 -28.480 1.00 0.00 C ATOM 582 C MET A 39 32.414 0.982 -28.935 1.00 0.00 C ATOM 583 O MET A 39 32.036 1.127 -30.099 1.00 0.00 O ATOM 584 CB MET A 39 34.859 1.001 -29.492 1.00 0.00 C ATOM 585 CG MET A 39 34.917 -0.499 -29.732 1.00 0.00 C ATOM 586 SD MET A 39 36.133 -0.946 -30.988 1.00 0.00 S ATOM 587 CE MET A 39 35.995 -2.732 -30.971 1.00 0.00 C ATOM 0 H MET A 39 34.293 -0.121 -27.162 1.00 0.00 H new ATOM 0 HA MET A 39 33.825 2.520 -28.418 1.00 0.00 H new ATOM 0 HB2 MET A 39 34.668 1.503 -30.441 1.00 0.00 H new ATOM 0 HB3 MET A 39 35.834 1.340 -29.143 1.00 0.00 H new ATOM 0 HG2 MET A 39 35.160 -1.005 -28.798 1.00 0.00 H new ATOM 0 HG3 MET A 39 33.933 -0.854 -30.040 1.00 0.00 H new ATOM 0 HE1 MET A 39 36.687 -3.157 -31.698 1.00 0.00 H new ATOM 0 HE2 MET A 39 36.238 -3.106 -29.976 1.00 0.00 H new ATOM 0 HE3 MET A 39 34.976 -3.021 -31.229 1.00 0.00 H new ATOM 597 N ASP A 40 31.674 0.437 -27.986 1.00 0.00 N ATOM 598 CA ASP A 40 30.329 -0.060 -28.221 1.00 0.00 C ATOM 599 C ASP A 40 29.312 1.073 -28.146 1.00 0.00 C ATOM 600 O ASP A 40 28.730 1.463 -29.159 1.00 0.00 O ATOM 601 CB ASP A 40 29.987 -1.162 -27.205 1.00 0.00 C ATOM 602 CG ASP A 40 30.688 -0.975 -25.867 1.00 0.00 C ATOM 603 OD1 ASP A 40 30.537 0.097 -25.247 1.00 0.00 O ATOM 604 OD2 ASP A 40 31.428 -1.893 -25.450 1.00 0.00 O ATOM 0 H ASP A 40 31.991 0.326 -27.023 1.00 0.00 H new ATOM 0 HA ASP A 40 30.288 -0.484 -29.224 1.00 0.00 H new ATOM 0 HB2 ASP A 40 28.909 -1.179 -27.045 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.263 -2.131 -27.621 1.00 0.00 H new ATOM 609 N VAL A 41 29.110 1.608 -26.955 1.00 0.00 N ATOM 610 CA VAL A 41 28.163 2.692 -26.759 1.00 0.00 C ATOM 611 C VAL A 41 28.895 4.026 -26.622 1.00 0.00 C ATOM 612 O VAL A 41 29.960 4.101 -26.009 1.00 0.00 O ATOM 613 CB VAL A 41 27.267 2.443 -25.519 1.00 0.00 C ATOM 614 CG1 VAL A 41 28.093 2.339 -24.250 1.00 0.00 C ATOM 615 CG2 VAL A 41 26.207 3.526 -25.383 1.00 0.00 C ATOM 0 H VAL A 41 29.590 1.309 -26.107 1.00 0.00 H new ATOM 0 HA VAL A 41 27.519 2.731 -27.638 1.00 0.00 H new ATOM 0 HB VAL A 41 26.762 1.489 -25.668 1.00 0.00 H new ATOM 0 HG11 VAL A 41 27.434 2.164 -23.400 1.00 0.00 H new ATOM 0 HG12 VAL A 41 28.796 1.511 -24.340 1.00 0.00 H new ATOM 0 HG13 VAL A 41 28.644 3.267 -24.097 1.00 0.00 H new ATOM 0 HG21 VAL A 41 25.593 3.326 -24.505 1.00 0.00 H new ATOM 0 HG22 VAL A 41 26.691 4.497 -25.274 1.00 0.00 H new ATOM 0 HG23 VAL A 41 25.577 3.532 -26.272 1.00 0.00 H new ATOM 625 N ALA A 42 28.341 5.064 -27.231 1.00 0.00 N ATOM 626 CA ALA A 42 28.897 6.402 -27.113 1.00 0.00 C ATOM 627 C ALA A 42 28.248 7.143 -25.950 1.00 0.00 C ATOM 628 O ALA A 42 27.143 6.799 -25.527 1.00 0.00 O ATOM 629 CB ALA A 42 28.705 7.173 -28.412 1.00 0.00 C ATOM 0 H ALA A 42 27.505 5.004 -27.813 1.00 0.00 H new ATOM 0 HA ALA A 42 29.966 6.319 -26.917 1.00 0.00 H new ATOM 0 HB1 ALA A 42 29.127 8.173 -28.307 1.00 0.00 H new ATOM 0 HB2 ALA A 42 29.210 6.649 -29.224 1.00 0.00 H new ATOM 0 HB3 ALA A 42 27.641 7.250 -28.636 1.00 0.00 H new ATOM 635 N ASP A 43 28.930 8.168 -25.453 1.00 0.00 N ATOM 636 CA ASP A 43 28.455 8.944 -24.306 1.00 0.00 C ATOM 637 C ASP A 43 27.091 9.569 -24.586 1.00 0.00 C ATOM 638 O ASP A 43 26.269 9.723 -23.682 1.00 0.00 O ATOM 639 CB ASP A 43 29.465 10.039 -23.933 1.00 0.00 C ATOM 640 CG ASP A 43 29.537 11.164 -24.951 1.00 0.00 C ATOM 641 OD1 ASP A 43 30.216 10.998 -25.987 1.00 0.00 O ATOM 642 OD2 ASP A 43 28.920 12.226 -24.718 1.00 0.00 O ATOM 0 H ASP A 43 29.823 8.486 -25.829 1.00 0.00 H new ATOM 0 HA ASP A 43 28.352 8.257 -23.466 1.00 0.00 H new ATOM 0 HB2 ASP A 43 29.197 10.454 -22.961 1.00 0.00 H new ATOM 0 HB3 ASP A 43 30.453 9.591 -23.827 1.00 0.00 H new ATOM 647 N ASP A 44 26.846 9.904 -25.848 1.00 0.00 N ATOM 648 CA ASP A 44 25.581 10.513 -26.253 1.00 0.00 C ATOM 649 C ASP A 44 24.436 9.503 -26.165 1.00 0.00 C ATOM 650 O ASP A 44 23.264 9.871 -26.066 1.00 0.00 O ATOM 651 CB ASP A 44 25.699 11.067 -27.676 1.00 0.00 C ATOM 652 CG ASP A 44 24.401 11.662 -28.184 1.00 0.00 C ATOM 653 OD1 ASP A 44 23.997 12.733 -27.684 1.00 0.00 O ATOM 654 OD2 ASP A 44 23.787 11.061 -29.091 1.00 0.00 O ATOM 0 H ASP A 44 27.508 9.764 -26.611 1.00 0.00 H new ATOM 0 HA ASP A 44 25.358 11.334 -25.571 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.477 11.830 -27.701 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.014 10.268 -28.347 1.00 0.00 H new ATOM 659 N SER A 45 24.787 8.226 -26.162 1.00 0.00 N ATOM 660 CA SER A 45 23.803 7.158 -26.102 1.00 0.00 C ATOM 661 C SER A 45 23.609 6.713 -24.648 1.00 0.00 C ATOM 662 O SER A 45 23.005 5.676 -24.372 1.00 0.00 O ATOM 663 CB SER A 45 24.269 5.988 -26.978 1.00 0.00 C ATOM 664 OG SER A 45 23.216 5.075 -27.252 1.00 0.00 O ATOM 0 H SER A 45 25.754 7.903 -26.201 1.00 0.00 H new ATOM 0 HA SER A 45 22.845 7.515 -26.479 1.00 0.00 H new ATOM 0 HB2 SER A 45 24.667 6.374 -27.916 1.00 0.00 H new ATOM 0 HB3 SER A 45 25.083 5.463 -26.478 1.00 0.00 H new ATOM 0 HG SER A 45 22.707 4.907 -26.432 1.00 0.00 H new ATOM 670 N ILE A 46 24.131 7.515 -23.724 1.00 0.00 N ATOM 671 CA ILE A 46 24.011 7.242 -22.300 1.00 0.00 C ATOM 672 C ILE A 46 23.263 8.384 -21.609 1.00 0.00 C ATOM 673 O ILE A 46 23.478 9.556 -21.921 1.00 0.00 O ATOM 674 CB ILE A 46 25.400 7.061 -21.643 1.00 0.00 C ATOM 675 CG1 ILE A 46 26.186 5.953 -22.351 1.00 0.00 C ATOM 676 CG2 ILE A 46 25.257 6.744 -20.161 1.00 0.00 C ATOM 677 CD1 ILE A 46 27.585 5.753 -21.807 1.00 0.00 C ATOM 0 H ILE A 46 24.646 8.368 -23.943 1.00 0.00 H new ATOM 0 HA ILE A 46 23.452 6.313 -22.183 1.00 0.00 H new ATOM 0 HB ILE A 46 25.950 7.997 -21.743 1.00 0.00 H new ATOM 0 HG12 ILE A 46 25.635 5.017 -22.264 1.00 0.00 H new ATOM 0 HG13 ILE A 46 26.249 6.187 -23.414 1.00 0.00 H new ATOM 0 HG21 ILE A 46 26.245 6.621 -19.718 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.736 7.561 -19.663 1.00 0.00 H new ATOM 0 HG23 ILE A 46 24.687 5.823 -20.039 1.00 0.00 H new ATOM 0 HD11 ILE A 46 28.079 4.953 -22.358 1.00 0.00 H new ATOM 0 HD12 ILE A 46 28.154 6.676 -21.919 1.00 0.00 H new ATOM 0 HD13 ILE A 46 27.530 5.487 -20.751 1.00 0.00 H new ATOM 689 N THR A 47 22.369 8.039 -20.695 1.00 0.00 N ATOM 690 CA THR A 47 21.586 9.032 -19.977 1.00 0.00 C ATOM 691 C THR A 47 21.527 8.696 -18.487 1.00 0.00 C ATOM 692 O THR A 47 21.223 7.561 -18.121 1.00 0.00 O ATOM 693 CB THR A 47 20.156 9.101 -20.552 1.00 0.00 C ATOM 694 OG1 THR A 47 20.219 9.328 -21.965 1.00 0.00 O ATOM 695 CG2 THR A 47 19.344 10.208 -19.896 1.00 0.00 C ATOM 0 H THR A 47 22.167 7.074 -20.432 1.00 0.00 H new ATOM 0 HA THR A 47 22.069 10.002 -20.099 1.00 0.00 H new ATOM 0 HB THR A 47 19.662 8.151 -20.346 1.00 0.00 H new ATOM 0 HG1 THR A 47 19.311 9.370 -22.330 1.00 0.00 H new ATOM 0 HG21 THR A 47 18.342 10.228 -20.325 1.00 0.00 H new ATOM 0 HG22 THR A 47 19.276 10.023 -18.824 1.00 0.00 H new ATOM 0 HG23 THR A 47 19.831 11.168 -20.068 1.00 0.00 H new ATOM 703 N PRO A 48 21.840 9.665 -17.608 1.00 0.00 N ATOM 704 CA PRO A 48 21.772 9.465 -16.157 1.00 0.00 C ATOM 705 C PRO A 48 20.365 9.077 -15.717 1.00 0.00 C ATOM 706 O PRO A 48 19.393 9.716 -16.113 1.00 0.00 O ATOM 707 CB PRO A 48 22.167 10.827 -15.574 1.00 0.00 C ATOM 708 CG PRO A 48 22.014 11.799 -16.693 1.00 0.00 C ATOM 709 CD PRO A 48 22.274 11.029 -17.954 1.00 0.00 C ATOM 0 HA PRO A 48 22.421 8.657 -15.821 1.00 0.00 H new ATOM 0 HB2 PRO A 48 21.528 11.094 -14.732 1.00 0.00 H new ATOM 0 HB3 PRO A 48 23.192 10.813 -15.204 1.00 0.00 H new ATOM 0 HG2 PRO A 48 21.013 12.231 -16.700 1.00 0.00 H new ATOM 0 HG3 PRO A 48 22.717 12.626 -16.590 1.00 0.00 H new ATOM 0 HD2 PRO A 48 21.709 11.431 -18.795 1.00 0.00 H new ATOM 0 HD3 PRO A 48 23.327 11.058 -18.234 1.00 0.00 H new ATOM 717 N THR A 49 20.260 8.045 -14.889 1.00 0.00 N ATOM 718 CA THR A 49 18.963 7.470 -14.541 1.00 0.00 C ATOM 719 C THR A 49 18.063 8.475 -13.820 1.00 0.00 C ATOM 720 O THR A 49 16.838 8.365 -13.875 1.00 0.00 O ATOM 721 CB THR A 49 19.116 6.193 -13.683 1.00 0.00 C ATOM 722 OG1 THR A 49 17.835 5.593 -13.460 1.00 0.00 O ATOM 723 CG2 THR A 49 19.772 6.499 -12.345 1.00 0.00 C ATOM 0 H THR A 49 21.056 7.588 -14.445 1.00 0.00 H new ATOM 0 HA THR A 49 18.486 7.201 -15.484 1.00 0.00 H new ATOM 0 HB THR A 49 19.756 5.501 -14.230 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.644 4.953 -14.178 1.00 0.00 H new ATOM 0 HG21 THR A 49 19.865 5.580 -11.766 1.00 0.00 H new ATOM 0 HG22 THR A 49 20.762 6.923 -12.514 1.00 0.00 H new ATOM 0 HG23 THR A 49 19.160 7.214 -11.795 1.00 0.00 H new ATOM 731 N SER A 50 18.670 9.455 -13.159 1.00 0.00 N ATOM 732 CA SER A 50 17.919 10.481 -12.447 1.00 0.00 C ATOM 733 C SER A 50 17.118 11.345 -13.424 1.00 0.00 C ATOM 734 O SER A 50 16.000 11.765 -13.130 1.00 0.00 O ATOM 735 CB SER A 50 18.883 11.356 -11.649 1.00 0.00 C ATOM 736 OG SER A 50 19.948 10.581 -11.121 1.00 0.00 O ATOM 0 H SER A 50 19.683 9.560 -13.102 1.00 0.00 H new ATOM 0 HA SER A 50 17.219 9.994 -11.768 1.00 0.00 H new ATOM 0 HB2 SER A 50 19.282 12.142 -12.289 1.00 0.00 H new ATOM 0 HB3 SER A 50 18.348 11.848 -10.837 1.00 0.00 H new ATOM 0 HG SER A 50 19.628 10.068 -10.350 1.00 0.00 H new ATOM 742 N GLU A 51 17.696 11.586 -14.595 1.00 0.00 N ATOM 743 CA GLU A 51 17.084 12.457 -15.591 1.00 0.00 C ATOM 744 C GLU A 51 16.451 11.624 -16.706 1.00 0.00 C ATOM 745 O GLU A 51 15.681 12.129 -17.524 1.00 0.00 O ATOM 746 CB GLU A 51 18.145 13.395 -16.169 1.00 0.00 C ATOM 747 CG GLU A 51 17.576 14.602 -16.890 1.00 0.00 C ATOM 748 CD GLU A 51 18.658 15.511 -17.428 1.00 0.00 C ATOM 749 OE1 GLU A 51 19.141 16.383 -16.674 1.00 0.00 O ATOM 750 OE2 GLU A 51 19.030 15.361 -18.610 1.00 0.00 O ATOM 0 H GLU A 51 18.591 11.188 -14.879 1.00 0.00 H new ATOM 0 HA GLU A 51 16.301 13.049 -15.117 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.790 13.739 -15.361 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.773 12.834 -16.861 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.944 14.267 -17.712 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.939 15.164 -16.207 1.00 0.00 H new ATOM 757 N PHE A 52 16.780 10.339 -16.715 1.00 0.00 N ATOM 758 CA PHE A 52 16.315 9.414 -17.744 1.00 0.00 C ATOM 759 C PHE A 52 14.807 9.205 -17.661 1.00 0.00 C ATOM 760 O PHE A 52 14.156 8.928 -18.663 1.00 0.00 O ATOM 761 CB PHE A 52 17.046 8.072 -17.595 1.00 0.00 C ATOM 762 CG PHE A 52 16.608 7.015 -18.570 1.00 0.00 C ATOM 763 CD1 PHE A 52 16.914 7.124 -19.916 1.00 0.00 C ATOM 764 CD2 PHE A 52 15.889 5.912 -18.137 1.00 0.00 C ATOM 765 CE1 PHE A 52 16.513 6.153 -20.811 1.00 0.00 C ATOM 766 CE2 PHE A 52 15.486 4.937 -19.028 1.00 0.00 C ATOM 767 CZ PHE A 52 15.797 5.059 -20.367 1.00 0.00 C ATOM 0 H PHE A 52 17.377 9.907 -16.010 1.00 0.00 H new ATOM 0 HA PHE A 52 16.537 9.844 -18.721 1.00 0.00 H new ATOM 0 HB2 PHE A 52 18.116 8.240 -17.716 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.894 7.700 -16.582 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.473 7.978 -20.269 1.00 0.00 H new ATOM 0 HD2 PHE A 52 15.641 5.814 -17.090 1.00 0.00 H new ATOM 0 HE1 PHE A 52 16.759 6.249 -21.858 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.929 4.081 -18.678 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.481 4.300 -21.067 1.00 0.00 H new ATOM 777 N VAL A 53 14.256 9.362 -16.467 1.00 0.00 N ATOM 778 CA VAL A 53 12.834 9.126 -16.248 1.00 0.00 C ATOM 779 C VAL A 53 11.979 10.281 -16.772 1.00 0.00 C ATOM 780 O VAL A 53 10.749 10.203 -16.772 1.00 0.00 O ATOM 781 CB VAL A 53 12.525 8.894 -14.756 1.00 0.00 C ATOM 782 CG1 VAL A 53 13.232 7.647 -14.256 1.00 0.00 C ATOM 783 CG2 VAL A 53 12.927 10.103 -13.925 1.00 0.00 C ATOM 0 H VAL A 53 14.770 9.651 -15.635 1.00 0.00 H new ATOM 0 HA VAL A 53 12.580 8.225 -16.807 1.00 0.00 H new ATOM 0 HB VAL A 53 11.450 8.751 -14.649 1.00 0.00 H new ATOM 0 HG11 VAL A 53 13.003 7.498 -13.201 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.893 6.783 -14.827 1.00 0.00 H new ATOM 0 HG13 VAL A 53 14.308 7.764 -14.381 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.699 9.915 -12.876 1.00 0.00 H new ATOM 0 HG22 VAL A 53 13.996 10.283 -14.038 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.374 10.979 -14.265 1.00 0.00 H new ATOM 793 N TRP A 54 12.634 11.342 -17.225 1.00 0.00 N ATOM 794 CA TRP A 54 11.934 12.499 -17.764 1.00 0.00 C ATOM 795 C TRP A 54 11.967 12.479 -19.288 1.00 0.00 C ATOM 796 O TRP A 54 13.036 12.549 -19.895 1.00 0.00 O ATOM 797 CB TRP A 54 12.565 13.796 -17.249 1.00 0.00 C ATOM 798 CG TRP A 54 12.503 13.953 -15.760 1.00 0.00 C ATOM 799 CD1 TRP A 54 13.487 13.654 -14.863 1.00 0.00 C ATOM 800 CD2 TRP A 54 11.400 14.452 -14.997 1.00 0.00 C ATOM 801 NE1 TRP A 54 13.065 13.937 -13.588 1.00 0.00 N ATOM 802 CE2 TRP A 54 11.785 14.427 -13.643 1.00 0.00 C ATOM 803 CE3 TRP A 54 10.123 14.917 -15.327 1.00 0.00 C ATOM 804 CZ2 TRP A 54 10.940 14.854 -12.622 1.00 0.00 C ATOM 805 CZ3 TRP A 54 9.285 15.337 -14.312 1.00 0.00 C ATOM 806 CH2 TRP A 54 9.695 15.303 -12.974 1.00 0.00 C ATOM 0 H TRP A 54 13.651 11.425 -17.230 1.00 0.00 H new ATOM 0 HA TRP A 54 10.897 12.455 -17.432 1.00 0.00 H new ATOM 0 HB2 TRP A 54 13.608 13.831 -17.565 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.062 14.643 -17.715 1.00 0.00 H new ATOM 0 HD1 TRP A 54 14.457 13.253 -15.119 1.00 0.00 H new ATOM 0 HE1 TRP A 54 13.614 13.805 -12.738 1.00 0.00 H new ATOM 0 HE3 TRP A 54 9.798 14.947 -16.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.255 14.832 -11.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.296 15.698 -14.555 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.016 15.638 -12.204 1.00 0.00 H new ATOM 817 N SER A 55 10.800 12.373 -19.903 1.00 0.00 N ATOM 818 CA SER A 55 10.710 12.354 -21.354 1.00 0.00 C ATOM 819 C SER A 55 10.040 13.630 -21.857 1.00 0.00 C ATOM 820 O SER A 55 9.087 14.122 -21.249 1.00 0.00 O ATOM 821 CB SER A 55 9.936 11.119 -21.820 1.00 0.00 C ATOM 822 OG SER A 55 10.069 10.926 -23.219 1.00 0.00 O ATOM 0 H SER A 55 9.904 12.299 -19.421 1.00 0.00 H new ATOM 0 HA SER A 55 11.717 12.306 -21.769 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.301 10.238 -21.293 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.882 11.230 -21.564 1.00 0.00 H new ATOM 0 HG SER A 55 9.566 10.129 -23.489 1.00 0.00 H new ATOM 828 N SER A 56 10.545 14.163 -22.961 1.00 0.00 N ATOM 829 CA SER A 56 10.050 15.419 -23.506 1.00 0.00 C ATOM 830 C SER A 56 8.697 15.225 -24.192 1.00 0.00 C ATOM 831 O SER A 56 8.595 14.517 -25.196 1.00 0.00 O ATOM 832 CB SER A 56 11.070 15.978 -24.496 1.00 0.00 C ATOM 833 OG SER A 56 12.377 15.953 -23.940 1.00 0.00 O ATOM 0 H SER A 56 11.302 13.742 -23.499 1.00 0.00 H new ATOM 0 HA SER A 56 9.911 16.125 -22.688 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.050 15.393 -25.416 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.803 17.001 -24.763 1.00 0.00 H new ATOM 0 HG SER A 56 13.016 16.313 -24.590 1.00 0.00 H new ATOM 839 N VAL A 57 7.661 15.856 -23.646 1.00 0.00 N ATOM 840 CA VAL A 57 6.313 15.725 -24.194 1.00 0.00 C ATOM 841 C VAL A 57 5.728 17.083 -24.572 1.00 0.00 C ATOM 842 O VAL A 57 4.625 17.168 -25.112 1.00 0.00 O ATOM 843 CB VAL A 57 5.363 15.020 -23.202 1.00 0.00 C ATOM 844 CG1 VAL A 57 5.808 13.586 -22.964 1.00 0.00 C ATOM 845 CG2 VAL A 57 5.287 15.785 -21.888 1.00 0.00 C ATOM 0 H VAL A 57 7.728 16.461 -22.828 1.00 0.00 H new ATOM 0 HA VAL A 57 6.402 15.115 -25.093 1.00 0.00 H new ATOM 0 HB VAL A 57 4.365 15.002 -23.641 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.126 13.105 -22.262 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.801 13.041 -23.908 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.817 13.582 -22.551 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.612 15.269 -21.205 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.280 15.842 -21.442 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.915 16.792 -22.074 1.00 0.00 H new ATOM 855 N ARG A 58 6.472 18.142 -24.289 1.00 0.00 N ATOM 856 CA ARG A 58 6.037 19.492 -24.615 1.00 0.00 C ATOM 857 C ARG A 58 7.214 20.278 -25.189 1.00 0.00 C ATOM 858 O ARG A 58 8.208 19.679 -25.603 1.00 0.00 O ATOM 859 CB ARG A 58 5.492 20.191 -23.368 1.00 0.00 C ATOM 860 CG ARG A 58 4.204 20.965 -23.610 1.00 0.00 C ATOM 861 CD ARG A 58 3.003 20.035 -23.711 1.00 0.00 C ATOM 862 NE ARG A 58 2.715 19.391 -22.431 1.00 0.00 N ATOM 863 CZ ARG A 58 2.151 18.194 -22.297 1.00 0.00 C ATOM 864 NH1 ARG A 58 1.725 17.519 -23.358 1.00 0.00 N ATOM 865 NH2 ARG A 58 1.983 17.688 -21.087 1.00 0.00 N ATOM 0 H ARG A 58 7.383 18.092 -23.833 1.00 0.00 H new ATOM 0 HA ARG A 58 5.240 19.443 -25.356 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.316 19.445 -22.593 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.250 20.875 -22.986 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.048 21.676 -22.798 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.294 21.545 -24.528 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.131 20.600 -24.040 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.193 19.274 -24.468 1.00 0.00 H new ATOM 0 HE ARG A 58 2.964 19.895 -21.580 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.828 17.917 -24.291 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.294 16.602 -23.240 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.285 18.215 -20.267 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.551 16.771 -20.973 1.00 0.00 H new ATOM 879 N ASP A 59 7.095 21.606 -25.219 1.00 0.00 N ATOM 880 CA ASP A 59 8.157 22.476 -25.732 1.00 0.00 C ATOM 881 C ASP A 59 9.471 22.235 -24.985 1.00 0.00 C ATOM 882 O ASP A 59 10.416 21.673 -25.542 1.00 0.00 O ATOM 883 CB ASP A 59 7.728 23.942 -25.611 1.00 0.00 C ATOM 884 CG ASP A 59 8.739 24.906 -26.198 1.00 0.00 C ATOM 885 OD1 ASP A 59 9.070 24.774 -27.396 1.00 0.00 O ATOM 886 OD2 ASP A 59 9.182 25.823 -25.478 1.00 0.00 O ATOM 0 H ASP A 59 6.268 22.106 -24.892 1.00 0.00 H new ATOM 0 HA ASP A 59 8.324 22.240 -26.783 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.771 24.077 -26.114 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.572 24.183 -24.560 1.00 0.00 H new ATOM 891 N ASP A 60 9.525 22.654 -23.728 1.00 0.00 N ATOM 892 CA ASP A 60 10.659 22.334 -22.862 1.00 0.00 C ATOM 893 C ASP A 60 10.162 21.681 -21.581 1.00 0.00 C ATOM 894 O ASP A 60 10.861 21.637 -20.566 1.00 0.00 O ATOM 895 CB ASP A 60 11.488 23.582 -22.538 1.00 0.00 C ATOM 896 CG ASP A 60 12.514 23.895 -23.612 1.00 0.00 C ATOM 897 OD1 ASP A 60 13.583 23.244 -23.631 1.00 0.00 O ATOM 898 OD2 ASP A 60 12.261 24.789 -24.444 1.00 0.00 O ATOM 0 H ASP A 60 8.799 23.216 -23.283 1.00 0.00 H new ATOM 0 HA ASP A 60 11.307 21.637 -23.394 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.821 24.436 -22.418 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.997 23.438 -21.585 1.00 0.00 H new ATOM 903 N VAL A 61 8.945 21.159 -21.644 1.00 0.00 N ATOM 904 CA VAL A 61 8.344 20.479 -20.511 1.00 0.00 C ATOM 905 C VAL A 61 8.463 18.970 -20.688 1.00 0.00 C ATOM 906 O VAL A 61 8.092 18.423 -21.731 1.00 0.00 O ATOM 907 CB VAL A 61 6.854 20.847 -20.344 1.00 0.00 C ATOM 908 CG1 VAL A 61 6.316 20.339 -19.017 1.00 0.00 C ATOM 909 CG2 VAL A 61 6.644 22.347 -20.474 1.00 0.00 C ATOM 0 H VAL A 61 8.353 21.195 -22.474 1.00 0.00 H new ATOM 0 HA VAL A 61 8.880 20.800 -19.618 1.00 0.00 H new ATOM 0 HB VAL A 61 6.297 20.360 -21.144 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.265 20.611 -18.923 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.416 19.254 -18.975 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.881 20.787 -18.200 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.586 22.578 -20.352 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.219 22.863 -19.705 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.977 22.677 -21.458 1.00 0.00 H new ATOM 919 N MET A 62 8.992 18.306 -19.676 1.00 0.00 N ATOM 920 CA MET A 62 9.138 16.860 -19.704 1.00 0.00 C ATOM 921 C MET A 62 8.161 16.228 -18.728 1.00 0.00 C ATOM 922 O MET A 62 7.660 16.901 -17.832 1.00 0.00 O ATOM 923 CB MET A 62 10.571 16.460 -19.345 1.00 0.00 C ATOM 924 CG MET A 62 11.610 16.955 -20.338 1.00 0.00 C ATOM 925 SD MET A 62 13.289 16.498 -19.867 1.00 0.00 S ATOM 926 CE MET A 62 14.218 17.182 -21.237 1.00 0.00 C ATOM 0 H MET A 62 9.329 18.747 -18.820 1.00 0.00 H new ATOM 0 HA MET A 62 8.922 16.504 -20.711 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.811 16.851 -18.356 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.631 15.373 -19.281 1.00 0.00 H new ATOM 0 HG2 MET A 62 11.389 16.546 -21.324 1.00 0.00 H new ATOM 0 HG3 MET A 62 11.542 18.040 -20.420 1.00 0.00 H new ATOM 0 HE1 MET A 62 15.278 17.206 -20.982 1.00 0.00 H new ATOM 0 HE2 MET A 62 14.071 16.562 -22.122 1.00 0.00 H new ATOM 0 HE3 MET A 62 13.871 18.195 -21.442 1.00 0.00 H new ATOM 936 N ARG A 63 7.877 14.951 -18.905 1.00 0.00 N ATOM 937 CA ARG A 63 6.987 14.256 -17.993 1.00 0.00 C ATOM 938 C ARG A 63 7.709 13.092 -17.333 1.00 0.00 C ATOM 939 O ARG A 63 8.639 12.520 -17.908 1.00 0.00 O ATOM 940 CB ARG A 63 5.734 13.738 -18.713 1.00 0.00 C ATOM 941 CG ARG A 63 5.958 12.450 -19.492 1.00 0.00 C ATOM 942 CD ARG A 63 4.642 11.832 -19.939 1.00 0.00 C ATOM 943 NE ARG A 63 4.823 10.467 -20.428 1.00 0.00 N ATOM 944 CZ ARG A 63 3.868 9.538 -20.432 1.00 0.00 C ATOM 945 NH1 ARG A 63 2.637 9.833 -20.029 1.00 0.00 N ATOM 946 NH2 ARG A 63 4.139 8.310 -20.849 1.00 0.00 N ATOM 0 H ARG A 63 8.245 14.378 -19.664 1.00 0.00 H new ATOM 0 HA ARG A 63 6.675 14.972 -17.232 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.946 13.574 -17.978 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.376 14.507 -19.397 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.580 12.654 -20.364 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.503 11.739 -18.872 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.940 11.830 -19.105 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.201 12.445 -20.725 1.00 0.00 H new ATOM 0 HE ARG A 63 5.741 10.208 -20.790 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.416 10.777 -19.713 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.912 9.115 -20.036 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.079 8.075 -21.167 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.407 7.599 -20.852 1.00 0.00 H new ATOM 960 N LEU A 64 7.290 12.764 -16.122 1.00 0.00 N ATOM 961 CA LEU A 64 7.776 11.580 -15.443 1.00 0.00 C ATOM 962 C LEU A 64 7.168 10.360 -16.120 1.00 0.00 C ATOM 963 O LEU A 64 5.962 10.124 -16.031 1.00 0.00 O ATOM 964 CB LEU A 64 7.393 11.621 -13.956 1.00 0.00 C ATOM 965 CG LEU A 64 8.284 10.811 -13.000 1.00 0.00 C ATOM 966 CD1 LEU A 64 8.248 9.323 -13.316 1.00 0.00 C ATOM 967 CD2 LEU A 64 9.711 11.330 -13.041 1.00 0.00 C ATOM 0 H LEU A 64 6.610 13.306 -15.589 1.00 0.00 H new ATOM 0 HA LEU A 64 8.863 11.533 -15.503 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.399 12.661 -13.630 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.369 11.261 -13.857 1.00 0.00 H new ATOM 0 HG LEU A 64 7.888 10.940 -11.992 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.891 8.787 -12.618 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.226 8.956 -13.223 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.602 9.159 -14.334 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.330 10.747 -12.359 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.102 11.239 -14.054 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.726 12.377 -12.739 1.00 0.00 H new ATOM 979 N GLY A 65 7.997 9.612 -16.817 1.00 0.00 N ATOM 980 CA GLY A 65 7.515 8.466 -17.548 1.00 0.00 C ATOM 981 C GLY A 65 7.930 7.169 -16.899 1.00 0.00 C ATOM 982 O GLY A 65 9.112 6.843 -16.851 1.00 0.00 O ATOM 0 H GLY A 65 9.001 9.777 -16.891 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.428 8.508 -17.613 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.897 8.500 -18.568 1.00 0.00 H new ATOM 986 N ARG A 66 6.964 6.426 -16.383 1.00 0.00 N ATOM 987 CA ARG A 66 7.260 5.146 -15.750 1.00 0.00 C ATOM 988 C ARG A 66 7.734 4.116 -16.767 1.00 0.00 C ATOM 989 O ARG A 66 8.292 3.088 -16.399 1.00 0.00 O ATOM 990 CB ARG A 66 6.047 4.607 -14.986 1.00 0.00 C ATOM 991 CG ARG A 66 4.779 4.524 -15.823 1.00 0.00 C ATOM 992 CD ARG A 66 3.670 3.784 -15.091 1.00 0.00 C ATOM 993 NE ARG A 66 3.975 2.361 -14.930 1.00 0.00 N ATOM 994 CZ ARG A 66 3.052 1.413 -14.757 1.00 0.00 C ATOM 995 NH1 ARG A 66 1.766 1.731 -14.692 1.00 0.00 N ATOM 996 NH2 ARG A 66 3.423 0.144 -14.651 1.00 0.00 N ATOM 0 H ARG A 66 5.977 6.682 -16.388 1.00 0.00 H new ATOM 0 HA ARG A 66 8.067 5.323 -15.039 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.283 3.614 -14.602 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.860 5.246 -14.123 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.442 5.530 -16.074 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.996 4.017 -16.763 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.518 4.236 -14.111 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.736 3.895 -15.641 1.00 0.00 H new ATOM 0 HE ARG A 66 4.954 2.077 -14.951 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.477 2.706 -14.774 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.066 1.001 -14.560 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.411 -0.104 -14.702 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.720 -0.583 -14.519 1.00 0.00 H new ATOM 1010 N GLU A 67 7.507 4.403 -18.043 1.00 0.00 N ATOM 1011 CA GLU A 67 7.981 3.552 -19.131 1.00 0.00 C ATOM 1012 C GLU A 67 9.495 3.371 -19.042 1.00 0.00 C ATOM 1013 O GLU A 67 10.040 2.344 -19.439 1.00 0.00 O ATOM 1014 CB GLU A 67 7.593 4.181 -20.470 1.00 0.00 C ATOM 1015 CG GLU A 67 8.083 5.612 -20.625 1.00 0.00 C ATOM 1016 CD GLU A 67 7.423 6.334 -21.776 1.00 0.00 C ATOM 1017 OE1 GLU A 67 7.923 6.240 -22.912 1.00 0.00 O ATOM 1018 OE2 GLU A 67 6.396 7.003 -21.545 1.00 0.00 O ATOM 0 H GLU A 67 6.992 5.227 -18.353 1.00 0.00 H new ATOM 0 HA GLU A 67 7.517 2.569 -19.050 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.999 3.575 -21.280 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.508 4.163 -20.572 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.892 6.159 -19.702 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.163 5.608 -20.776 1.00 0.00 H new ATOM 1025 N GLN A 68 10.154 4.377 -18.486 1.00 0.00 N ATOM 1026 CA GLN A 68 11.595 4.355 -18.284 1.00 0.00 C ATOM 1027 C GLN A 68 11.932 3.390 -17.155 1.00 0.00 C ATOM 1028 O GLN A 68 12.868 2.596 -17.244 1.00 0.00 O ATOM 1029 CB GLN A 68 12.076 5.757 -17.916 1.00 0.00 C ATOM 1030 CG GLN A 68 11.423 6.864 -18.730 1.00 0.00 C ATOM 1031 CD GLN A 68 12.039 7.054 -20.107 1.00 0.00 C ATOM 1032 OE1 GLN A 68 12.552 6.112 -20.713 1.00 0.00 O ATOM 1033 NE2 GLN A 68 11.986 8.276 -20.613 1.00 0.00 N ATOM 0 H GLN A 68 9.704 5.233 -18.162 1.00 0.00 H new ATOM 0 HA GLN A 68 12.088 4.030 -19.200 1.00 0.00 H new ATOM 0 HB2 GLN A 68 11.879 5.932 -16.858 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.156 5.808 -18.052 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.362 6.642 -18.844 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.495 7.801 -18.177 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.553 9.030 -20.080 1.00 0.00 H new ATOM 0 HE22 GLN A 68 12.378 8.463 -21.536 1.00 0.00 H new ATOM 1042 N LEU A 69 11.126 3.460 -16.102 1.00 0.00 N ATOM 1043 CA LEU A 69 11.309 2.638 -14.915 1.00 0.00 C ATOM 1044 C LEU A 69 11.047 1.167 -15.224 1.00 0.00 C ATOM 1045 O LEU A 69 11.616 0.282 -14.586 1.00 0.00 O ATOM 1046 CB LEU A 69 10.373 3.108 -13.800 1.00 0.00 C ATOM 1047 CG LEU A 69 10.609 4.534 -13.295 1.00 0.00 C ATOM 1048 CD1 LEU A 69 9.505 4.945 -12.334 1.00 0.00 C ATOM 1049 CD2 LEU A 69 11.966 4.639 -12.615 1.00 0.00 C ATOM 0 H LEU A 69 10.326 4.090 -16.049 1.00 0.00 H new ATOM 0 HA LEU A 69 12.343 2.743 -14.586 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.346 3.034 -14.157 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.468 2.423 -12.957 1.00 0.00 H new ATOM 0 HG LEU A 69 10.596 5.210 -14.150 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.687 5.961 -11.984 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.543 4.904 -12.846 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.492 4.265 -11.482 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.118 5.659 -12.262 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.003 3.953 -11.769 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.750 4.381 -13.326 1.00 0.00 H new ATOM 1061 N GLN A 70 10.184 0.911 -16.205 1.00 0.00 N ATOM 1062 CA GLN A 70 9.883 -0.457 -16.618 1.00 0.00 C ATOM 1063 C GLN A 70 11.158 -1.142 -17.103 1.00 0.00 C ATOM 1064 O GLN A 70 11.377 -2.324 -16.853 1.00 0.00 O ATOM 1065 CB GLN A 70 8.825 -0.483 -17.728 1.00 0.00 C ATOM 1066 CG GLN A 70 7.565 0.313 -17.411 1.00 0.00 C ATOM 1067 CD GLN A 70 6.811 -0.185 -16.186 1.00 0.00 C ATOM 1068 OE1 GLN A 70 6.191 0.603 -15.469 1.00 0.00 O ATOM 1069 NE2 GLN A 70 6.818 -1.488 -15.957 1.00 0.00 N ATOM 0 H GLN A 70 9.683 1.630 -16.727 1.00 0.00 H new ATOM 0 HA GLN A 70 9.484 -0.992 -15.756 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.267 -0.092 -18.644 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.547 -1.518 -17.925 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.836 1.358 -17.258 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.899 0.279 -18.273 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.342 -2.111 -16.571 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.299 -1.870 -15.166 1.00 0.00 H new ATOM 1078 N ILE A 71 12.009 -0.376 -17.774 1.00 0.00 N ATOM 1079 CA ILE A 71 13.288 -0.885 -18.248 1.00 0.00 C ATOM 1080 C ILE A 71 14.215 -1.153 -17.066 1.00 0.00 C ATOM 1081 O ILE A 71 14.982 -2.118 -17.062 1.00 0.00 O ATOM 1082 CB ILE A 71 13.968 0.115 -19.214 1.00 0.00 C ATOM 1083 CG1 ILE A 71 13.010 0.490 -20.349 1.00 0.00 C ATOM 1084 CG2 ILE A 71 15.257 -0.473 -19.776 1.00 0.00 C ATOM 1085 CD1 ILE A 71 13.560 1.544 -21.288 1.00 0.00 C ATOM 0 H ILE A 71 11.835 0.603 -18.002 1.00 0.00 H new ATOM 0 HA ILE A 71 13.097 -1.813 -18.787 1.00 0.00 H new ATOM 0 HB ILE A 71 14.219 1.018 -18.657 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.772 -0.406 -20.922 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.076 0.851 -19.919 1.00 0.00 H new ATOM 0 HG21 ILE A 71 15.720 0.245 -20.453 1.00 0.00 H new ATOM 0 HG22 ILE A 71 15.943 -0.695 -18.958 1.00 0.00 H new ATOM 0 HG23 ILE A 71 15.032 -1.391 -20.320 1.00 0.00 H new ATOM 0 HD11 ILE A 71 12.826 1.758 -22.065 1.00 0.00 H new ATOM 0 HD12 ILE A 71 13.772 2.455 -20.728 1.00 0.00 H new ATOM 0 HD13 ILE A 71 14.479 1.179 -21.747 1.00 0.00 H new ATOM 1097 N LEU A 72 14.107 -0.310 -16.046 1.00 0.00 N ATOM 1098 CA LEU A 72 14.967 -0.403 -14.875 1.00 0.00 C ATOM 1099 C LEU A 72 14.599 -1.612 -14.023 1.00 0.00 C ATOM 1100 O LEU A 72 15.474 -2.298 -13.494 1.00 0.00 O ATOM 1101 CB LEU A 72 14.875 0.876 -14.039 1.00 0.00 C ATOM 1102 CG LEU A 72 15.199 2.169 -14.791 1.00 0.00 C ATOM 1103 CD1 LEU A 72 15.157 3.356 -13.843 1.00 0.00 C ATOM 1104 CD2 LEU A 72 16.557 2.073 -15.472 1.00 0.00 C ATOM 0 H LEU A 72 13.428 0.450 -16.008 1.00 0.00 H new ATOM 0 HA LEU A 72 15.993 -0.525 -15.221 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.867 0.954 -13.632 1.00 0.00 H new ATOM 0 HB3 LEU A 72 15.555 0.787 -13.191 1.00 0.00 H new ATOM 0 HG LEU A 72 14.444 2.316 -15.563 1.00 0.00 H new ATOM 0 HD11 LEU A 72 15.389 4.269 -14.392 1.00 0.00 H new ATOM 0 HD12 LEU A 72 14.161 3.438 -13.407 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.890 3.214 -13.049 1.00 0.00 H new ATOM 0 HD21 LEU A 72 16.766 3.003 -16.000 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.329 1.900 -14.722 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.550 1.246 -16.182 1.00 0.00 H new ATOM 1116 N LEU A 73 13.303 -1.885 -13.901 1.00 0.00 N ATOM 1117 CA LEU A 73 12.851 -3.044 -13.141 1.00 0.00 C ATOM 1118 C LEU A 73 13.196 -4.328 -13.886 1.00 0.00 C ATOM 1119 O LEU A 73 13.374 -5.382 -13.276 1.00 0.00 O ATOM 1120 CB LEU A 73 11.345 -2.954 -12.820 1.00 0.00 C ATOM 1121 CG LEU A 73 10.370 -2.997 -14.006 1.00 0.00 C ATOM 1122 CD1 LEU A 73 10.100 -4.427 -14.454 1.00 0.00 C ATOM 1123 CD2 LEU A 73 9.066 -2.311 -13.635 1.00 0.00 C ATOM 0 H LEU A 73 12.556 -1.326 -14.314 1.00 0.00 H new ATOM 0 HA LEU A 73 13.375 -3.057 -12.185 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.094 -3.773 -12.146 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.171 -2.027 -12.273 1.00 0.00 H new ATOM 0 HG LEU A 73 10.832 -2.467 -14.839 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.406 -4.420 -15.295 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.036 -4.895 -14.759 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.665 -4.991 -13.629 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.382 -2.347 -14.483 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.616 -2.821 -12.783 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.264 -1.272 -13.372 1.00 0.00 H new ATOM 1135 N GLU A 74 13.302 -4.230 -15.209 1.00 0.00 N ATOM 1136 CA GLU A 74 13.745 -5.353 -16.025 1.00 0.00 C ATOM 1137 C GLU A 74 15.204 -5.682 -15.731 1.00 0.00 C ATOM 1138 O GLU A 74 15.636 -6.825 -15.885 1.00 0.00 O ATOM 1139 CB GLU A 74 13.565 -5.049 -17.513 1.00 0.00 C ATOM 1140 CG GLU A 74 12.130 -5.186 -17.993 1.00 0.00 C ATOM 1141 CD GLU A 74 11.608 -6.598 -17.830 1.00 0.00 C ATOM 1142 OE1 GLU A 74 12.263 -7.537 -18.326 1.00 0.00 O ATOM 1143 OE2 GLU A 74 10.546 -6.782 -17.196 1.00 0.00 O ATOM 0 H GLU A 74 13.087 -3.384 -15.737 1.00 0.00 H new ATOM 0 HA GLU A 74 13.131 -6.217 -15.773 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.911 -4.035 -17.712 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.199 -5.721 -18.092 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.494 -4.498 -17.435 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.070 -4.896 -19.042 1.00 0.00 H new ATOM 1150 N GLN A 75 15.960 -4.676 -15.305 1.00 0.00 N ATOM 1151 CA GLN A 75 17.346 -4.884 -14.911 1.00 0.00 C ATOM 1152 C GLN A 75 17.393 -5.683 -13.610 1.00 0.00 C ATOM 1153 O GLN A 75 18.326 -6.450 -13.376 1.00 0.00 O ATOM 1154 CB GLN A 75 18.076 -3.550 -14.731 1.00 0.00 C ATOM 1155 CG GLN A 75 18.046 -2.639 -15.953 1.00 0.00 C ATOM 1156 CD GLN A 75 18.600 -3.293 -17.206 1.00 0.00 C ATOM 1157 OE1 GLN A 75 19.805 -3.266 -17.457 1.00 0.00 O ATOM 1158 NE2 GLN A 75 17.718 -3.852 -18.020 1.00 0.00 N ATOM 0 H GLN A 75 15.637 -3.712 -15.224 1.00 0.00 H new ATOM 0 HA GLN A 75 17.849 -5.440 -15.702 1.00 0.00 H new ATOM 0 HB2 GLN A 75 17.633 -3.020 -13.888 1.00 0.00 H new ATOM 0 HB3 GLN A 75 19.115 -3.752 -14.470 1.00 0.00 H new ATOM 0 HG2 GLN A 75 17.018 -2.327 -16.139 1.00 0.00 H new ATOM 0 HG3 GLN A 75 18.619 -1.737 -15.739 1.00 0.00 H new ATOM 0 HE21 GLN A 75 16.728 -3.854 -17.775 1.00 0.00 H new ATOM 0 HE22 GLN A 75 18.029 -4.281 -18.892 1.00 0.00 H new ATOM 1167 N ASN A 76 16.375 -5.474 -12.767 1.00 0.00 N ATOM 1168 CA ASN A 76 16.186 -6.242 -11.526 1.00 0.00 C ATOM 1169 C ASN A 76 17.254 -5.901 -10.480 1.00 0.00 C ATOM 1170 O ASN A 76 17.390 -6.572 -9.456 1.00 0.00 O ATOM 1171 CB ASN A 76 16.158 -7.751 -11.839 1.00 0.00 C ATOM 1172 CG ASN A 76 15.781 -8.614 -10.645 1.00 0.00 C ATOM 1173 OD1 ASN A 76 16.642 -9.189 -9.978 1.00 0.00 O ATOM 1174 ND2 ASN A 76 14.491 -8.703 -10.360 1.00 0.00 N ATOM 0 H ASN A 76 15.657 -4.767 -12.924 1.00 0.00 H new ATOM 0 HA ASN A 76 15.226 -5.963 -11.093 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.449 -7.933 -12.646 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.139 -8.056 -12.202 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.182 -9.262 -9.565 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.807 -8.212 -10.935 1.00 0.00 H new ATOM 1181 N ILE A 77 17.984 -4.824 -10.718 1.00 0.00 N ATOM 1182 CA ILE A 77 19.010 -4.388 -9.785 1.00 0.00 C ATOM 1183 C ILE A 77 18.644 -3.054 -9.131 1.00 0.00 C ATOM 1184 O ILE A 77 19.426 -2.102 -9.139 1.00 0.00 O ATOM 1185 CB ILE A 77 20.403 -4.306 -10.460 1.00 0.00 C ATOM 1186 CG1 ILE A 77 20.314 -3.750 -11.891 1.00 0.00 C ATOM 1187 CG2 ILE A 77 21.061 -5.675 -10.469 1.00 0.00 C ATOM 1188 CD1 ILE A 77 20.101 -2.254 -11.966 1.00 0.00 C ATOM 0 H ILE A 77 17.886 -4.237 -11.546 1.00 0.00 H new ATOM 0 HA ILE A 77 19.066 -5.142 -9.000 1.00 0.00 H new ATOM 0 HB ILE A 77 21.012 -3.616 -9.877 1.00 0.00 H new ATOM 0 HG12 ILE A 77 21.231 -4.002 -12.424 1.00 0.00 H new ATOM 0 HG13 ILE A 77 19.496 -4.248 -12.412 1.00 0.00 H new ATOM 0 HG21 ILE A 77 22.039 -5.606 -10.945 1.00 0.00 H new ATOM 0 HG22 ILE A 77 21.181 -6.028 -9.445 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.436 -6.375 -11.023 1.00 0.00 H new ATOM 0 HD11 ILE A 77 20.050 -1.946 -13.010 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.169 -1.994 -11.465 1.00 0.00 H new ATOM 0 HD13 ILE A 77 20.931 -1.743 -11.477 1.00 0.00 H new ATOM 1200 N ASN A 78 17.455 -3.002 -8.532 1.00 0.00 N ATOM 1201 CA ASN A 78 16.984 -1.787 -7.866 1.00 0.00 C ATOM 1202 C ASN A 78 17.922 -1.399 -6.730 1.00 0.00 C ATOM 1203 O ASN A 78 18.039 -0.227 -6.380 1.00 0.00 O ATOM 1204 CB ASN A 78 15.560 -1.957 -7.317 1.00 0.00 C ATOM 1205 CG ASN A 78 14.505 -2.060 -8.404 1.00 0.00 C ATOM 1206 OD1 ASN A 78 14.023 -1.052 -8.913 1.00 0.00 O ATOM 1207 ND2 ASN A 78 14.120 -3.278 -8.746 1.00 0.00 N ATOM 0 H ASN A 78 16.802 -3.784 -8.494 1.00 0.00 H new ATOM 0 HA ASN A 78 16.972 -0.995 -8.614 1.00 0.00 H new ATOM 0 HB2 ASN A 78 15.522 -2.853 -6.697 1.00 0.00 H new ATOM 0 HB3 ASN A 78 15.324 -1.112 -6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.398 -3.404 -9.456 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.545 -4.091 -8.300 1.00 0.00 H new ATOM 1214 N GLU A 79 18.591 -2.394 -6.169 1.00 0.00 N ATOM 1215 CA GLU A 79 19.542 -2.179 -5.085 1.00 0.00 C ATOM 1216 C GLU A 79 20.824 -1.528 -5.606 1.00 0.00 C ATOM 1217 O GLU A 79 21.516 -0.821 -4.875 1.00 0.00 O ATOM 1218 CB GLU A 79 19.850 -3.510 -4.402 1.00 0.00 C ATOM 1219 CG GLU A 79 18.613 -4.182 -3.829 1.00 0.00 C ATOM 1220 CD GLU A 79 18.856 -5.623 -3.443 1.00 0.00 C ATOM 1221 OE1 GLU A 79 18.791 -6.498 -4.334 1.00 0.00 O ATOM 1222 OE2 GLU A 79 19.104 -5.893 -2.252 1.00 0.00 O ATOM 0 H GLU A 79 18.492 -3.370 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 79 19.099 -1.500 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.321 -4.181 -5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.570 -3.343 -3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 79 18.277 -3.628 -2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 79 17.808 -4.138 -4.563 1.00 0.00 H new ATOM 1229 N ARG A 80 21.138 -1.781 -6.870 1.00 0.00 N ATOM 1230 CA ARG A 80 22.323 -1.209 -7.502 1.00 0.00 C ATOM 1231 C ARG A 80 22.071 0.236 -7.918 1.00 0.00 C ATOM 1232 O ARG A 80 22.801 1.148 -7.532 1.00 0.00 O ATOM 1233 CB ARG A 80 22.700 -2.023 -8.744 1.00 0.00 C ATOM 1234 CG ARG A 80 24.029 -1.621 -9.368 1.00 0.00 C ATOM 1235 CD ARG A 80 25.183 -1.797 -8.395 1.00 0.00 C ATOM 1236 NE ARG A 80 26.456 -1.363 -8.971 1.00 0.00 N ATOM 1237 CZ ARG A 80 27.497 -0.950 -8.248 1.00 0.00 C ATOM 1238 NH1 ARG A 80 27.436 -0.973 -6.921 1.00 0.00 N ATOM 1239 NH2 ARG A 80 28.608 -0.544 -8.854 1.00 0.00 N ATOM 0 H ARG A 80 20.586 -2.382 -7.482 1.00 0.00 H new ATOM 0 HA ARG A 80 23.137 -1.236 -6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 80 22.741 -3.079 -8.475 1.00 0.00 H new ATOM 0 HB3 ARG A 80 21.913 -1.914 -9.490 1.00 0.00 H new ATOM 0 HG2 ARG A 80 24.209 -2.222 -10.259 1.00 0.00 H new ATOM 0 HG3 ARG A 80 23.980 -0.581 -9.690 1.00 0.00 H new ATOM 0 HD2 ARG A 80 24.982 -1.227 -7.488 1.00 0.00 H new ATOM 0 HD3 ARG A 80 25.255 -2.845 -8.104 1.00 0.00 H new ATOM 0 HE ARG A 80 26.553 -1.377 -9.986 1.00 0.00 H new ATOM 0 HH11 ARG A 80 26.592 -1.307 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 80 28.233 -0.657 -6.368 1.00 0.00 H new ATOM 0 HH21 ARG A 80 28.664 -0.548 -9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 80 29.404 -0.228 -8.301 1.00 0.00 H new ATOM 1253 N LEU A 81 21.017 0.423 -8.698 1.00 0.00 N ATOM 1254 CA LEU A 81 20.707 1.722 -9.294 1.00 0.00 C ATOM 1255 C LEU A 81 20.019 2.644 -8.283 1.00 0.00 C ATOM 1256 O LEU A 81 19.995 3.863 -8.453 1.00 0.00 O ATOM 1257 CB LEU A 81 19.809 1.514 -10.516 1.00 0.00 C ATOM 1258 CG LEU A 81 19.810 2.646 -11.542 1.00 0.00 C ATOM 1259 CD1 LEU A 81 21.132 2.686 -12.293 1.00 0.00 C ATOM 1260 CD2 LEU A 81 18.652 2.481 -12.512 1.00 0.00 C ATOM 0 H LEU A 81 20.354 -0.314 -8.937 1.00 0.00 H new ATOM 0 HA LEU A 81 21.638 2.199 -9.598 1.00 0.00 H new ATOM 0 HB2 LEU A 81 20.115 0.595 -11.016 1.00 0.00 H new ATOM 0 HB3 LEU A 81 18.786 1.363 -10.170 1.00 0.00 H new ATOM 0 HG LEU A 81 19.688 3.591 -11.013 1.00 0.00 H new ATOM 0 HD11 LEU A 81 21.113 3.499 -13.019 1.00 0.00 H new ATOM 0 HD12 LEU A 81 21.947 2.849 -11.587 1.00 0.00 H new ATOM 0 HD13 LEU A 81 21.285 1.739 -12.812 1.00 0.00 H new ATOM 0 HD21 LEU A 81 18.666 3.295 -13.237 1.00 0.00 H new ATOM 0 HD22 LEU A 81 18.747 1.529 -13.034 1.00 0.00 H new ATOM 0 HD23 LEU A 81 17.711 2.501 -11.962 1.00 0.00 H new ATOM 1272 N ASN A 82 19.459 2.039 -7.237 1.00 0.00 N ATOM 1273 CA ASN A 82 18.781 2.770 -6.159 1.00 0.00 C ATOM 1274 C ASN A 82 17.507 3.442 -6.648 1.00 0.00 C ATOM 1275 O ASN A 82 17.398 4.668 -6.643 1.00 0.00 O ATOM 1276 CB ASN A 82 19.697 3.814 -5.497 1.00 0.00 C ATOM 1277 CG ASN A 82 20.666 3.210 -4.498 1.00 0.00 C ATOM 1278 OD1 ASN A 82 21.006 3.833 -3.493 1.00 0.00 O ATOM 1279 ND2 ASN A 82 21.133 2.006 -4.769 1.00 0.00 N ATOM 0 H ASN A 82 19.461 1.027 -7.110 1.00 0.00 H new ATOM 0 HA ASN A 82 18.518 2.024 -5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.261 4.336 -6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 82 19.082 4.559 -4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 82 21.798 1.563 -4.136 1.00 0.00 H new ATOM 0 HD22 ASN A 82 20.829 1.519 -5.612 1.00 0.00 H new ATOM 1286 N ILE A 83 16.545 2.636 -7.074 1.00 0.00 N ATOM 1287 CA ILE A 83 15.243 3.158 -7.458 1.00 0.00 C ATOM 1288 C ILE A 83 14.437 3.473 -6.200 1.00 0.00 C ATOM 1289 O ILE A 83 14.343 2.645 -5.288 1.00 0.00 O ATOM 1290 CB ILE A 83 14.455 2.180 -8.374 1.00 0.00 C ATOM 1291 CG1 ILE A 83 15.086 2.099 -9.771 1.00 0.00 C ATOM 1292 CG2 ILE A 83 12.999 2.605 -8.498 1.00 0.00 C ATOM 1293 CD1 ILE A 83 16.358 1.283 -9.840 1.00 0.00 C ATOM 0 H ILE A 83 16.641 1.624 -7.162 1.00 0.00 H new ATOM 0 HA ILE A 83 15.405 4.067 -8.038 1.00 0.00 H new ATOM 0 HB ILE A 83 14.500 1.194 -7.911 1.00 0.00 H new ATOM 0 HG12 ILE A 83 14.358 1.672 -10.460 1.00 0.00 H new ATOM 0 HG13 ILE A 83 15.299 3.110 -10.119 1.00 0.00 H new ATOM 0 HG21 ILE A 83 12.469 1.905 -9.144 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.536 2.610 -7.511 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.947 3.605 -8.928 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.734 1.280 -10.863 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.107 1.720 -9.180 1.00 0.00 H new ATOM 0 HD13 ILE A 83 16.151 0.260 -9.527 1.00 0.00 H new ATOM 1305 N GLY A 84 13.886 4.682 -6.153 1.00 0.00 N ATOM 1306 CA GLY A 84 13.195 5.158 -4.969 1.00 0.00 C ATOM 1307 C GLY A 84 11.967 4.342 -4.612 1.00 0.00 C ATOM 1308 O GLY A 84 11.403 3.640 -5.453 1.00 0.00 O ATOM 0 H GLY A 84 13.907 5.348 -6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.886 5.146 -4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.899 6.195 -5.124 1.00 0.00 H new ATOM 1312 N GLU A 85 11.541 4.468 -3.362 1.00 0.00 N ATOM 1313 CA GLU A 85 10.414 3.707 -2.839 1.00 0.00 C ATOM 1314 C GLU A 85 9.103 4.070 -3.555 1.00 0.00 C ATOM 1315 O GLU A 85 8.415 3.181 -4.059 1.00 0.00 O ATOM 1316 CB GLU A 85 10.285 3.934 -1.331 1.00 0.00 C ATOM 1317 CG GLU A 85 11.570 3.669 -0.564 1.00 0.00 C ATOM 1318 CD GLU A 85 11.433 3.947 0.918 1.00 0.00 C ATOM 1319 OE1 GLU A 85 11.351 5.135 1.301 1.00 0.00 O ATOM 1320 OE2 GLU A 85 11.418 2.983 1.710 1.00 0.00 O ATOM 0 H GLU A 85 11.966 5.099 -2.683 1.00 0.00 H new ATOM 0 HA GLU A 85 10.605 2.650 -3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.971 4.962 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.499 3.288 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.867 2.630 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.367 4.289 -0.974 1.00 0.00 H new ATOM 1327 N PRO A 86 8.730 5.373 -3.627 1.00 0.00 N ATOM 1328 CA PRO A 86 7.514 5.796 -4.335 1.00 0.00 C ATOM 1329 C PRO A 86 7.577 5.476 -5.827 1.00 0.00 C ATOM 1330 O PRO A 86 6.552 5.422 -6.505 1.00 0.00 O ATOM 1331 CB PRO A 86 7.459 7.312 -4.111 1.00 0.00 C ATOM 1332 CG PRO A 86 8.848 7.702 -3.749 1.00 0.00 C ATOM 1333 CD PRO A 86 9.426 6.525 -3.018 1.00 0.00 C ATOM 0 HA PRO A 86 6.631 5.275 -3.965 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.125 7.831 -5.009 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.758 7.568 -3.316 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.433 7.936 -4.639 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.853 8.593 -3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.506 6.459 -3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 86 9.240 6.586 -1.946 1.00 0.00 H new ATOM 1341 N LEU A 87 8.785 5.244 -6.329 1.00 0.00 N ATOM 1342 CA LEU A 87 8.974 4.890 -7.729 1.00 0.00 C ATOM 1343 C LEU A 87 8.435 3.487 -7.989 1.00 0.00 C ATOM 1344 O LEU A 87 7.866 3.219 -9.044 1.00 0.00 O ATOM 1345 CB LEU A 87 10.455 4.977 -8.129 1.00 0.00 C ATOM 1346 CG LEU A 87 11.030 6.391 -8.314 1.00 0.00 C ATOM 1347 CD1 LEU A 87 10.247 7.157 -9.368 1.00 0.00 C ATOM 1348 CD2 LEU A 87 11.049 7.159 -7.002 1.00 0.00 C ATOM 0 H LEU A 87 9.647 5.295 -5.786 1.00 0.00 H new ATOM 0 HA LEU A 87 8.421 5.604 -8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.045 4.465 -7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.590 4.428 -9.061 1.00 0.00 H new ATOM 0 HG LEU A 87 12.060 6.286 -8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.671 8.155 -9.483 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.303 6.627 -10.319 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.205 7.239 -9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.461 8.154 -7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.033 7.247 -6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.666 6.627 -6.278 1.00 0.00 H new ATOM 1360 N LEU A 88 8.600 2.598 -7.009 1.00 0.00 N ATOM 1361 CA LEU A 88 8.033 1.254 -7.094 1.00 0.00 C ATOM 1362 C LEU A 88 6.512 1.320 -7.035 1.00 0.00 C ATOM 1363 O LEU A 88 5.818 0.494 -7.626 1.00 0.00 O ATOM 1364 CB LEU A 88 8.564 0.348 -5.975 1.00 0.00 C ATOM 1365 CG LEU A 88 9.836 -0.443 -6.313 1.00 0.00 C ATOM 1366 CD1 LEU A 88 11.026 0.481 -6.505 1.00 0.00 C ATOM 1367 CD2 LEU A 88 10.133 -1.467 -5.228 1.00 0.00 C ATOM 0 H LEU A 88 9.119 2.784 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 88 8.338 0.824 -8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.762 0.963 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.780 -0.358 -5.700 1.00 0.00 H new ATOM 0 HG LEU A 88 9.661 -0.967 -7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.911 -0.110 -6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.821 1.173 -7.322 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.201 1.044 -5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.038 -2.018 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.277 -0.957 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.297 -2.162 -5.145 1.00 0.00 H new ATOM 1379 N VAL A 89 6.000 2.312 -6.317 1.00 0.00 N ATOM 1380 CA VAL A 89 4.564 2.550 -6.259 1.00 0.00 C ATOM 1381 C VAL A 89 4.063 3.018 -7.624 1.00 0.00 C ATOM 1382 O VAL A 89 2.985 2.626 -8.076 1.00 0.00 O ATOM 1383 CB VAL A 89 4.206 3.602 -5.185 1.00 0.00 C ATOM 1384 CG1 VAL A 89 2.700 3.796 -5.088 1.00 0.00 C ATOM 1385 CG2 VAL A 89 4.782 3.202 -3.834 1.00 0.00 C ATOM 0 H VAL A 89 6.558 2.965 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 89 4.079 1.612 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 89 4.648 4.552 -5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.478 4.542 -4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.314 4.135 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.228 2.851 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.520 3.954 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.372 2.237 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.867 3.128 -3.909 1.00 0.00 H new ATOM 1395 N TYR A 90 4.872 3.840 -8.282 1.00 0.00 N ATOM 1396 CA TYR A 90 4.564 4.320 -9.625 1.00 0.00 C ATOM 1397 C TYR A 90 4.649 3.172 -10.634 1.00 0.00 C ATOM 1398 O TYR A 90 4.048 3.221 -11.705 1.00 0.00 O ATOM 1399 CB TYR A 90 5.529 5.441 -10.015 1.00 0.00 C ATOM 1400 CG TYR A 90 4.974 6.392 -11.053 1.00 0.00 C ATOM 1401 CD1 TYR A 90 3.804 7.103 -10.813 1.00 0.00 C ATOM 1402 CD2 TYR A 90 5.622 6.588 -12.263 1.00 0.00 C ATOM 1403 CE1 TYR A 90 3.297 7.980 -11.751 1.00 0.00 C ATOM 1404 CE2 TYR A 90 5.120 7.464 -13.207 1.00 0.00 C ATOM 1405 CZ TYR A 90 3.958 8.156 -12.947 1.00 0.00 C ATOM 1406 OH TYR A 90 3.456 9.030 -13.884 1.00 0.00 O ATOM 0 H TYR A 90 5.752 4.190 -7.904 1.00 0.00 H new ATOM 0 HA TYR A 90 3.547 4.712 -9.632 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.793 6.007 -9.122 1.00 0.00 H new ATOM 0 HB3 TYR A 90 6.449 4.999 -10.396 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.283 6.967 -9.877 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.534 6.048 -12.471 1.00 0.00 H new ATOM 0 HE1 TYR A 90 2.387 8.525 -11.548 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.637 7.605 -14.145 1.00 0.00 H new ATOM 0 HH TYR A 90 4.041 9.038 -14.670 1.00 0.00 H new ATOM 1416 N LEU A 91 5.415 2.144 -10.279 1.00 0.00 N ATOM 1417 CA LEU A 91 5.516 0.933 -11.088 1.00 0.00 C ATOM 1418 C LEU A 91 4.226 0.129 -11.014 1.00 0.00 C ATOM 1419 O LEU A 91 3.948 -0.702 -11.879 1.00 0.00 O ATOM 1420 CB LEU A 91 6.693 0.069 -10.630 1.00 0.00 C ATOM 1421 CG LEU A 91 8.072 0.674 -10.877 1.00 0.00 C ATOM 1422 CD1 LEU A 91 9.162 -0.246 -10.349 1.00 0.00 C ATOM 1423 CD2 LEU A 91 8.269 0.943 -12.358 1.00 0.00 C ATOM 0 H LEU A 91 5.979 2.126 -9.429 1.00 0.00 H new ATOM 0 HA LEU A 91 5.685 1.235 -12.122 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.585 -0.129 -9.564 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.638 -0.893 -11.140 1.00 0.00 H new ATOM 0 HG LEU A 91 8.138 1.621 -10.341 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.138 0.202 -10.534 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.027 -0.392 -9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 91 9.103 -1.209 -10.857 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.257 1.375 -12.521 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.186 0.008 -12.912 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.507 1.640 -12.706 1.00 0.00 H new ATOM 1435 N ARG A 92 3.462 0.353 -9.956 1.00 0.00 N ATOM 1436 CA ARG A 92 2.170 -0.292 -9.800 1.00 0.00 C ATOM 1437 C ARG A 92 1.141 0.413 -10.674 1.00 0.00 C ATOM 1438 O ARG A 92 0.585 -0.175 -11.602 1.00 0.00 O ATOM 1439 CB ARG A 92 1.719 -0.251 -8.336 1.00 0.00 C ATOM 1440 CG ARG A 92 2.733 -0.809 -7.345 1.00 0.00 C ATOM 1441 CD ARG A 92 2.820 -2.329 -7.389 1.00 0.00 C ATOM 1442 NE ARG A 92 3.425 -2.835 -8.622 1.00 0.00 N ATOM 1443 CZ ARG A 92 4.501 -3.621 -8.650 1.00 0.00 C ATOM 1444 NH1 ARG A 92 5.121 -3.951 -7.522 1.00 0.00 N ATOM 1445 NH2 ARG A 92 4.959 -4.078 -9.809 1.00 0.00 N ATOM 0 H ARG A 92 3.716 0.978 -9.191 1.00 0.00 H new ATOM 0 HA ARG A 92 2.260 -1.334 -10.106 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.497 0.782 -8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.790 -0.812 -8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 92 3.715 -0.386 -7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 92 2.462 -0.493 -6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 92 3.402 -2.678 -6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 92 1.819 -2.747 -7.285 1.00 0.00 H new ATOM 0 HE ARG A 92 2.999 -2.571 -9.510 1.00 0.00 H new ATOM 0 HH11 ARG A 92 4.774 -3.602 -6.628 1.00 0.00 H new ATOM 0 HH12 ARG A 92 5.944 -4.553 -7.550 1.00 0.00 H new ATOM 0 HH21 ARG A 92 4.487 -3.828 -10.678 1.00 0.00 H new ATOM 0 HH22 ARG A 92 5.782 -4.680 -9.830 1.00 0.00 H new ATOM 1459 N ARG A 93 0.913 1.686 -10.379 1.00 0.00 N ATOM 1460 CA ARG A 93 -0.042 2.497 -11.123 1.00 0.00 C ATOM 1461 C ARG A 93 0.422 3.942 -11.199 1.00 0.00 C ATOM 1462 O ARG A 93 1.417 4.325 -10.587 1.00 0.00 O ATOM 1463 CB ARG A 93 -1.425 2.470 -10.466 1.00 0.00 C ATOM 1464 CG ARG A 93 -2.231 1.213 -10.724 1.00 0.00 C ATOM 1465 CD ARG A 93 -3.635 1.353 -10.162 1.00 0.00 C ATOM 1466 NE ARG A 93 -4.493 0.233 -10.530 1.00 0.00 N ATOM 1467 CZ ARG A 93 -5.772 0.364 -10.878 1.00 0.00 C ATOM 1468 NH1 ARG A 93 -6.325 1.571 -10.924 1.00 0.00 N ATOM 1469 NH2 ARG A 93 -6.493 -0.706 -11.186 1.00 0.00 N ATOM 0 H ARG A 93 1.382 2.183 -9.622 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.107 2.073 -12.125 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.302 2.590 -9.390 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.996 3.329 -10.820 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.280 1.020 -11.796 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.735 0.356 -10.268 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.583 1.427 -9.076 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.078 2.281 -10.524 1.00 0.00 H new ATOM 0 HE ARG A 93 -4.091 -0.704 -10.520 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.770 2.395 -10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.304 1.673 -11.190 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.068 -1.633 -11.157 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -7.472 -0.602 -11.452 1.00 0.00 H new ATOM 1483 N GLN A 94 -0.322 4.741 -11.945 1.00 0.00 N ATOM 1484 CA GLN A 94 -0.105 6.174 -11.989 1.00 0.00 C ATOM 1485 C GLN A 94 -1.421 6.888 -11.714 1.00 0.00 C ATOM 1486 O GLN A 94 -2.478 6.445 -12.166 1.00 0.00 O ATOM 1487 CB GLN A 94 0.478 6.619 -13.342 1.00 0.00 C ATOM 1488 CG GLN A 94 -0.420 6.358 -14.547 1.00 0.00 C ATOM 1489 CD GLN A 94 -0.462 4.899 -14.961 1.00 0.00 C ATOM 1490 OE1 GLN A 94 0.504 4.158 -14.782 1.00 0.00 O ATOM 1491 NE2 GLN A 94 -1.582 4.475 -15.518 1.00 0.00 N ATOM 0 H GLN A 94 -1.089 4.415 -12.534 1.00 0.00 H new ATOM 0 HA GLN A 94 0.624 6.438 -11.223 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.695 7.686 -13.294 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.428 6.107 -13.498 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -1.432 6.692 -14.316 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.071 6.957 -15.388 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.362 5.119 -15.650 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.667 3.503 -15.816 1.00 0.00 H new ATOM 1500 N ASP A 95 -1.365 7.959 -10.940 1.00 0.00 N ATOM 1501 CA ASP A 95 -2.565 8.730 -10.629 1.00 0.00 C ATOM 1502 C ASP A 95 -2.744 9.852 -11.639 1.00 0.00 C ATOM 1503 O ASP A 95 -3.863 10.216 -11.998 1.00 0.00 O ATOM 1504 CB ASP A 95 -2.489 9.303 -9.213 1.00 0.00 C ATOM 1505 CG ASP A 95 -3.744 10.063 -8.831 1.00 0.00 C ATOM 1506 OD1 ASP A 95 -4.830 9.447 -8.804 1.00 0.00 O ATOM 1507 OD2 ASP A 95 -3.649 11.271 -8.537 1.00 0.00 O ATOM 0 H ASP A 95 -0.509 8.316 -10.516 1.00 0.00 H new ATOM 0 HA ASP A 95 -3.425 8.063 -10.684 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.328 8.491 -8.503 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.628 9.967 -9.138 1.00 0.00 H new ATOM 1512 N LEU A 96 -1.628 10.388 -12.103 1.00 0.00 N ATOM 1513 CA LEU A 96 -1.646 11.427 -13.116 1.00 0.00 C ATOM 1514 C LEU A 96 -1.303 10.826 -14.472 1.00 0.00 C ATOM 1515 O LEU A 96 -0.421 9.972 -14.566 1.00 0.00 O ATOM 1516 CB LEU A 96 -0.647 12.536 -12.769 1.00 0.00 C ATOM 1517 CG LEU A 96 -0.907 13.266 -11.449 1.00 0.00 C ATOM 1518 CD1 LEU A 96 0.182 14.294 -11.187 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -2.274 13.933 -11.467 1.00 0.00 C ATOM 0 H LEU A 96 -0.695 10.119 -11.792 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.645 11.862 -13.154 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.353 12.103 -12.734 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.649 13.269 -13.576 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.893 12.533 -10.642 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.018 14.804 -10.245 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.149 13.794 -11.131 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.197 15.023 -11.998 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.441 14.447 -10.520 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.316 14.654 -12.283 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.046 13.177 -11.610 1.00 0.00 H new ATOM 1531 N PRO A 97 -1.998 11.259 -15.537 1.00 0.00 N ATOM 1532 CA PRO A 97 -1.733 10.787 -16.902 1.00 0.00 C ATOM 1533 C PRO A 97 -0.319 11.138 -17.355 1.00 0.00 C ATOM 1534 O PRO A 97 0.221 10.533 -18.286 1.00 0.00 O ATOM 1535 CB PRO A 97 -2.771 11.528 -17.757 1.00 0.00 C ATOM 1536 CG PRO A 97 -3.214 12.683 -16.924 1.00 0.00 C ATOM 1537 CD PRO A 97 -3.103 12.231 -15.496 1.00 0.00 C ATOM 0 HA PRO A 97 -1.807 9.702 -16.982 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.337 11.865 -18.698 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.610 10.879 -18.008 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.589 13.558 -17.106 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.238 12.967 -17.165 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.884 13.062 -14.826 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.028 11.774 -15.145 1.00 0.00 H new ATOM 1545 N GLU A 98 0.260 12.132 -16.691 1.00 0.00 N ATOM 1546 CA GLU A 98 1.622 12.564 -16.949 1.00 0.00 C ATOM 1547 C GLU A 98 2.036 13.616 -15.925 1.00 0.00 C ATOM 1548 O GLU A 98 1.339 14.610 -15.727 1.00 0.00 O ATOM 1549 CB GLU A 98 1.752 13.114 -18.376 1.00 0.00 C ATOM 1550 CG GLU A 98 0.747 14.203 -18.717 1.00 0.00 C ATOM 1551 CD GLU A 98 0.673 14.475 -20.203 1.00 0.00 C ATOM 1552 OE1 GLU A 98 1.594 15.113 -20.745 1.00 0.00 O ATOM 1553 OE2 GLU A 98 -0.313 14.049 -20.839 1.00 0.00 O ATOM 0 H GLU A 98 -0.208 12.661 -15.955 1.00 0.00 H new ATOM 0 HA GLU A 98 2.288 11.706 -16.857 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.759 13.509 -18.511 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.634 12.292 -19.082 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.238 13.910 -18.355 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.019 15.121 -18.196 1.00 0.00 H new ATOM 1560 N ILE A 99 3.144 13.373 -15.241 1.00 0.00 N ATOM 1561 CA ILE A 99 3.670 14.348 -14.298 1.00 0.00 C ATOM 1562 C ILE A 99 4.650 15.257 -15.021 1.00 0.00 C ATOM 1563 O ILE A 99 5.770 14.855 -15.319 1.00 0.00 O ATOM 1564 CB ILE A 99 4.379 13.666 -13.106 1.00 0.00 C ATOM 1565 CG1 ILE A 99 3.446 12.646 -12.445 1.00 0.00 C ATOM 1566 CG2 ILE A 99 4.836 14.709 -12.093 1.00 0.00 C ATOM 1567 CD1 ILE A 99 4.092 11.867 -11.319 1.00 0.00 C ATOM 0 H ILE A 99 3.692 12.517 -15.320 1.00 0.00 H new ATOM 0 HA ILE A 99 2.835 14.926 -13.901 1.00 0.00 H new ATOM 0 HB ILE A 99 5.258 13.139 -13.478 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.570 13.166 -12.058 1.00 0.00 H new ATOM 0 HG13 ILE A 99 3.093 11.946 -13.202 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.333 14.213 -11.259 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.530 15.400 -12.571 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.972 15.261 -11.723 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.370 11.165 -10.901 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.951 11.318 -11.703 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.420 12.556 -10.541 1.00 0.00 H new ATOM 1579 N THR A 100 4.226 16.472 -15.310 1.00 0.00 N ATOM 1580 CA THR A 100 4.999 17.356 -16.159 1.00 0.00 C ATOM 1581 C THR A 100 5.792 18.390 -15.367 1.00 0.00 C ATOM 1582 O THR A 100 5.302 18.968 -14.396 1.00 0.00 O ATOM 1583 CB THR A 100 4.079 18.064 -17.165 1.00 0.00 C ATOM 1584 OG1 THR A 100 2.859 18.450 -16.519 1.00 0.00 O ATOM 1585 CG2 THR A 100 3.771 17.155 -18.344 1.00 0.00 C ATOM 0 H THR A 100 3.350 16.869 -14.969 1.00 0.00 H new ATOM 0 HA THR A 100 5.720 16.733 -16.689 1.00 0.00 H new ATOM 0 HB THR A 100 4.591 18.952 -17.536 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.276 18.903 -17.164 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.118 17.676 -19.044 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.699 16.884 -18.847 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.274 16.253 -17.988 1.00 0.00 H new ATOM 1593 N ALA A 101 7.029 18.598 -15.793 1.00 0.00 N ATOM 1594 CA ALA A 101 7.896 19.612 -15.219 1.00 0.00 C ATOM 1595 C ALA A 101 8.742 20.246 -16.317 1.00 0.00 C ATOM 1596 O ALA A 101 9.387 19.544 -17.101 1.00 0.00 O ATOM 1597 CB ALA A 101 8.783 19.009 -14.137 1.00 0.00 C ATOM 0 H ALA A 101 7.460 18.066 -16.549 1.00 0.00 H new ATOM 0 HA ALA A 101 7.281 20.384 -14.757 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.425 19.784 -13.719 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.160 18.590 -13.347 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.400 18.221 -14.569 1.00 0.00 H new ATOM 1603 N GLN A 102 8.716 21.565 -16.393 1.00 0.00 N ATOM 1604 CA GLN A 102 9.471 22.283 -17.409 1.00 0.00 C ATOM 1605 C GLN A 102 10.912 22.489 -16.959 1.00 0.00 C ATOM 1606 O GLN A 102 11.172 22.798 -15.796 1.00 0.00 O ATOM 1607 CB GLN A 102 8.808 23.630 -17.726 1.00 0.00 C ATOM 1608 CG GLN A 102 8.634 24.538 -16.518 1.00 0.00 C ATOM 1609 CD GLN A 102 7.894 25.819 -16.852 1.00 0.00 C ATOM 1610 OE1 GLN A 102 7.984 26.333 -17.967 1.00 0.00 O ATOM 1611 NE2 GLN A 102 7.148 26.338 -15.892 1.00 0.00 N ATOM 0 H GLN A 102 8.180 22.163 -15.763 1.00 0.00 H new ATOM 0 HA GLN A 102 9.477 21.682 -18.319 1.00 0.00 H new ATOM 0 HB2 GLN A 102 9.406 24.150 -18.474 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.831 23.445 -18.172 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.091 24.001 -15.740 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.614 24.785 -16.110 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.099 25.882 -14.981 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.621 27.194 -16.062 1.00 0.00 H new