USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 751 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 14 SER OG : rot 180:sc= 0.0366 USER MOD Set 1.2: A 93 THR OG1 : rot 171:sc= 0.0362 USER MOD Set 2.1: A 11 LYS NZ :NH3+ -161:sc= 1.05 (180deg=0.861) USER MOD Set 2.2: A 26 TYR OH : rot 30:sc= -0.326 USER MOD Single : A 8 SER OG : rot -136:sc= 0.545 USER MOD Single : A 15 SER OG : rot 62:sc= 1.18 USER MOD Single : A 16 MET CE :methyl 177:sc= -0.36 (180deg=-0.407) USER MOD Single : A 18 SER OG : rot 130:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 56:sc= 0.362 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0961 X(o=-0.096,f=-0.12) USER MOD Single : A 42 ASN : amide:sc= -0.83 X(o=-0.83,f=-0.44) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 97:sc= 1.3 USER MOD Single : A 61 LYS NZ :NH3+ -140:sc= 1.02 (180deg=0.0357) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 170:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.288 X(o=-0.29,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.22) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -123:sc= -0.545 (180deg=-1.47!) USER MOD Single : A 85 LYS NZ :NH3+ -145:sc= 0.443 (180deg=0.0577) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 102 SER OG : rot -68:sc= 0.366 USER MOD ----------------------------------------------------------------- ATOM 28 N ARG A 3 7.855 -3.786 7.617 1.00 0.00 N ATOM 29 CA ARG A 3 7.456 -4.057 6.250 1.00 0.00 C ATOM 30 C ARG A 3 6.490 -2.976 5.833 1.00 0.00 C ATOM 31 O ARG A 3 5.407 -2.855 6.404 1.00 0.00 O ATOM 32 CB ARG A 3 6.771 -5.426 6.129 1.00 0.00 C ATOM 33 CG ARG A 3 7.791 -6.538 5.936 1.00 0.00 C ATOM 34 CD ARG A 3 8.042 -7.310 7.214 1.00 0.00 C ATOM 35 NE ARG A 3 7.496 -8.676 7.156 1.00 0.00 N ATOM 36 CZ ARG A 3 8.187 -9.810 7.315 1.00 0.00 C ATOM 37 NH1 ARG A 3 9.508 -9.808 7.425 1.00 0.00 N ATOM 38 NH2 ARG A 3 7.533 -10.963 7.349 1.00 0.00 N ATOM 0 HA ARG A 3 8.339 -4.070 5.610 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.182 -5.621 7.025 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.078 -5.415 5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.439 -7.222 5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.729 -6.111 5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.114 -7.357 7.403 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.594 -6.777 8.052 1.00 0.00 H new ATOM 0 HE ARG A 3 6.496 -8.766 6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.021 -8.927 7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.011 -10.687 7.546 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.517 -10.976 7.255 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.045 -11.837 7.470 1.00 0.00 H new ATOM 52 N VAL A 4 6.885 -2.200 4.837 1.00 0.00 N ATOM 53 CA VAL A 4 6.001 -1.258 4.157 1.00 0.00 C ATOM 54 C VAL A 4 5.435 -2.017 2.959 1.00 0.00 C ATOM 55 O VAL A 4 6.173 -2.793 2.348 1.00 0.00 O ATOM 56 CB VAL A 4 6.839 0.016 3.849 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.469 -0.028 2.464 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.160 1.385 3.963 1.00 0.00 C ATOM 0 H VAL A 4 7.837 -2.204 4.472 1.00 0.00 H new ATOM 0 HA VAL A 4 5.145 -0.900 4.729 1.00 0.00 H new ATOM 0 HB VAL A 4 7.563 -0.042 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.043 0.883 2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.130 -0.892 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.686 -0.107 1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.877 2.168 3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.319 1.433 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.801 1.529 4.982 1.00 0.00 H new ATOM 68 N ALA A 5 4.153 -1.833 2.625 1.00 0.00 N ATOM 69 CA ALA A 5 3.613 -2.340 1.369 1.00 0.00 C ATOM 70 C ALA A 5 3.461 -1.158 0.409 1.00 0.00 C ATOM 71 O ALA A 5 3.281 -0.021 0.852 1.00 0.00 O ATOM 72 CB ALA A 5 2.263 -3.024 1.611 1.00 0.00 C ATOM 0 H ALA A 5 3.477 -1.339 3.207 1.00 0.00 H new ATOM 0 HA ALA A 5 4.285 -3.082 0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.870 -3.398 0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.395 -3.855 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.562 -2.306 2.036 1.00 0.00 H new ATOM 78 N ILE A 6 3.478 -1.403 -0.900 1.00 0.00 N ATOM 79 CA ILE A 6 3.296 -0.374 -1.921 1.00 0.00 C ATOM 80 C ILE A 6 2.349 -0.946 -2.986 1.00 0.00 C ATOM 81 O ILE A 6 2.663 -2.003 -3.531 1.00 0.00 O ATOM 82 CB ILE A 6 4.644 0.066 -2.529 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.672 0.534 -1.479 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.423 1.197 -3.547 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.577 -0.585 -0.948 1.00 0.00 C ATOM 0 H ILE A 6 3.621 -2.336 -1.286 1.00 0.00 H new ATOM 0 HA ILE A 6 2.863 0.524 -1.480 1.00 0.00 H new ATOM 0 HB ILE A 6 5.056 -0.819 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.295 1.313 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.140 0.985 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.381 1.499 -3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.769 0.845 -4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.961 2.050 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.271 -0.174 -0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.966 -1.355 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.138 -1.022 -1.774 1.00 0.00 H new ATOM 97 N PRO A 7 1.202 -0.303 -3.268 1.00 0.00 N ATOM 98 CA PRO A 7 0.245 -0.693 -4.278 1.00 0.00 C ATOM 99 C PRO A 7 0.844 -0.441 -5.658 1.00 0.00 C ATOM 100 O PRO A 7 0.895 0.698 -6.108 1.00 0.00 O ATOM 101 CB PRO A 7 -0.987 0.177 -3.999 1.00 0.00 C ATOM 102 CG PRO A 7 -0.485 1.429 -3.310 1.00 0.00 C ATOM 103 CD PRO A 7 0.830 0.985 -2.732 1.00 0.00 C ATOM 0 HA PRO A 7 -0.020 -1.750 -4.253 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.504 0.426 -4.926 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.701 -0.353 -3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.361 2.255 -4.011 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.173 1.769 -2.536 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.602 1.719 -2.961 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.757 0.928 -1.646 1.00 0.00 H new ATOM 111 N SER A 8 1.305 -1.486 -6.324 1.00 0.00 N ATOM 112 CA SER A 8 1.849 -1.451 -7.671 1.00 0.00 C ATOM 113 C SER A 8 0.769 -1.931 -8.654 1.00 0.00 C ATOM 114 O SER A 8 -0.307 -2.389 -8.241 1.00 0.00 O ATOM 115 CB SER A 8 3.078 -2.363 -7.640 1.00 0.00 C ATOM 116 OG SER A 8 3.661 -2.543 -8.907 1.00 0.00 O ATOM 0 H SER A 8 1.311 -2.424 -5.923 1.00 0.00 H new ATOM 0 HA SER A 8 2.142 -0.454 -8.000 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.820 -1.941 -6.962 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.793 -3.334 -7.236 1.00 0.00 H new ATOM 0 HG SER A 8 3.890 -3.488 -9.030 1.00 0.00 H new ATOM 122 N VAL A 9 1.064 -1.875 -9.955 1.00 0.00 N ATOM 123 CA VAL A 9 0.282 -2.541 -10.992 1.00 0.00 C ATOM 124 C VAL A 9 1.205 -3.417 -11.868 1.00 0.00 C ATOM 125 O VAL A 9 0.941 -3.607 -13.057 1.00 0.00 O ATOM 126 CB VAL A 9 -0.508 -1.463 -11.789 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.368 -0.576 -10.873 1.00 0.00 C ATOM 128 CG2 VAL A 9 0.343 -0.463 -12.590 1.00 0.00 C ATOM 0 H VAL A 9 1.864 -1.358 -10.320 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.451 -3.223 -10.560 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.091 -2.083 -12.470 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.900 0.161 -11.475 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.088 -1.196 -10.338 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.727 -0.064 -10.156 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.311 0.241 -13.105 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.999 0.082 -11.911 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.944 -1.002 -13.322 1.00 0.00 H new ATOM 138 N GLY A 10 2.220 -4.069 -11.285 1.00 0.00 N ATOM 139 CA GLY A 10 3.110 -4.999 -11.982 1.00 0.00 C ATOM 140 C GLY A 10 4.196 -5.541 -11.060 1.00 0.00 C ATOM 141 O GLY A 10 4.182 -5.261 -9.860 1.00 0.00 O ATOM 0 H GLY A 10 2.447 -3.961 -10.297 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.527 -5.828 -12.384 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.572 -4.494 -12.830 1.00 0.00 H new ATOM 145 N LYS A 11 5.158 -6.306 -11.589 1.00 0.00 N ATOM 146 CA LYS A 11 6.061 -7.137 -10.781 1.00 0.00 C ATOM 147 C LYS A 11 7.522 -6.834 -11.083 1.00 0.00 C ATOM 148 O LYS A 11 8.381 -7.714 -11.096 1.00 0.00 O ATOM 149 CB LYS A 11 5.658 -8.614 -10.887 1.00 0.00 C ATOM 150 CG LYS A 11 5.812 -9.205 -12.290 1.00 0.00 C ATOM 151 CD LYS A 11 5.096 -10.558 -12.400 1.00 0.00 C ATOM 152 CE LYS A 11 3.727 -10.338 -13.052 1.00 0.00 C ATOM 153 NZ LYS A 11 2.806 -11.462 -12.813 1.00 0.00 N ATOM 0 H LYS A 11 5.333 -6.367 -12.592 1.00 0.00 H new ATOM 0 HA LYS A 11 5.955 -6.882 -9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.263 -9.195 -10.191 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.620 -8.720 -10.572 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.404 -8.513 -13.027 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.870 -9.330 -12.522 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.690 -11.253 -12.994 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.977 -11.004 -11.413 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.285 -9.421 -12.663 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.856 -10.199 -14.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.036 -11.434 -13.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.323 -12.360 -12.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.408 -11.387 -11.855 1.00 0.00 H new ATOM 167 N ASP A 12 7.802 -5.549 -11.268 1.00 0.00 N ATOM 168 CA ASP A 12 9.143 -4.986 -11.314 1.00 0.00 C ATOM 169 C ASP A 12 9.134 -3.707 -10.491 1.00 0.00 C ATOM 170 O ASP A 12 8.100 -3.046 -10.380 1.00 0.00 O ATOM 171 CB ASP A 12 9.540 -4.675 -12.758 1.00 0.00 C ATOM 172 CG ASP A 12 10.320 -5.808 -13.415 1.00 0.00 C ATOM 173 OD1 ASP A 12 11.382 -6.206 -12.884 1.00 0.00 O ATOM 174 OD2 ASP A 12 9.907 -6.280 -14.499 1.00 0.00 O ATOM 0 H ASP A 12 7.073 -4.846 -11.395 1.00 0.00 H new ATOM 0 HA ASP A 12 9.865 -5.697 -10.912 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.642 -4.473 -13.341 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.143 -3.767 -12.776 1.00 0.00 H new ATOM 179 N LEU A 13 10.282 -3.331 -9.942 1.00 0.00 N ATOM 180 CA LEU A 13 10.441 -2.248 -8.958 1.00 0.00 C ATOM 181 C LEU A 13 10.348 -0.850 -9.584 1.00 0.00 C ATOM 182 O LEU A 13 10.218 0.138 -8.871 1.00 0.00 O ATOM 183 CB LEU A 13 11.759 -2.497 -8.208 1.00 0.00 C ATOM 184 CG LEU A 13 11.904 -2.074 -6.737 1.00 0.00 C ATOM 185 CD1 LEU A 13 11.780 -0.576 -6.523 1.00 0.00 C ATOM 186 CD2 LEU A 13 10.938 -2.822 -5.808 1.00 0.00 C ATOM 0 H LEU A 13 11.166 -3.784 -10.173 1.00 0.00 H new ATOM 0 HA LEU A 13 9.612 -2.264 -8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.962 -3.567 -8.258 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.549 -1.996 -8.768 1.00 0.00 H new ATOM 0 HG LEU A 13 12.922 -2.357 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.892 -0.349 -5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.557 -0.062 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.801 -0.240 -6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.084 -2.484 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.911 -2.621 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.132 -3.893 -5.868 1.00 0.00 H new ATOM 198 N SER A 14 10.288 -0.738 -10.908 1.00 0.00 N ATOM 199 CA SER A 14 9.864 0.499 -11.544 1.00 0.00 C ATOM 200 C SER A 14 8.557 0.264 -12.309 1.00 0.00 C ATOM 201 O SER A 14 8.324 0.877 -13.351 1.00 0.00 O ATOM 202 CB SER A 14 10.987 0.945 -12.472 1.00 0.00 C ATOM 203 OG SER A 14 10.874 2.291 -12.902 1.00 0.00 O ATOM 0 H SER A 14 10.527 -1.488 -11.557 1.00 0.00 H new ATOM 0 HA SER A 14 9.671 1.279 -10.808 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.941 0.816 -11.961 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.003 0.294 -13.346 1.00 0.00 H new ATOM 0 HG SER A 14 11.626 2.510 -13.491 1.00 0.00 H new ATOM 209 N SER A 15 7.640 -0.544 -11.768 1.00 0.00 N ATOM 210 CA SER A 15 6.277 -0.533 -12.281 1.00 0.00 C ATOM 211 C SER A 15 5.563 0.683 -11.678 1.00 0.00 C ATOM 212 O SER A 15 6.028 1.228 -10.676 1.00 0.00 O ATOM 213 CB SER A 15 5.526 -1.817 -11.904 1.00 0.00 C ATOM 214 OG SER A 15 6.235 -2.967 -12.329 1.00 0.00 O ATOM 0 H SER A 15 7.812 -1.193 -11.000 1.00 0.00 H new ATOM 0 HA SER A 15 6.298 -0.477 -13.369 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.382 -1.854 -10.824 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.535 -1.809 -12.358 1.00 0.00 H new ATOM 0 HG SER A 15 7.105 -3.000 -11.879 1.00 0.00 H new ATOM 220 N MET A 16 4.395 1.072 -12.183 1.00 0.00 N ATOM 221 CA MET A 16 3.720 2.272 -11.695 1.00 0.00 C ATOM 222 C MET A 16 3.049 1.938 -10.357 1.00 0.00 C ATOM 223 O MET A 16 2.500 0.846 -10.181 1.00 0.00 O ATOM 224 CB MET A 16 2.637 2.675 -12.720 1.00 0.00 C ATOM 225 CG MET A 16 3.071 3.816 -13.649 1.00 0.00 C ATOM 226 SD MET A 16 2.255 5.409 -13.326 1.00 0.00 S ATOM 227 CE MET A 16 2.754 5.659 -11.607 1.00 0.00 C ATOM 0 H MET A 16 3.899 0.578 -12.925 1.00 0.00 H new ATOM 0 HA MET A 16 4.430 3.089 -11.564 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.376 1.805 -13.323 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.735 2.975 -12.186 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.149 3.950 -13.559 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.872 3.523 -14.680 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.384 6.623 -11.257 1.00 0.00 H new ATOM 0 HE2 MET A 16 2.338 4.864 -10.988 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.842 5.641 -11.538 1.00 0.00 H new ATOM 237 N VAL A 17 3.102 2.872 -9.407 1.00 0.00 N ATOM 238 CA VAL A 17 2.319 2.799 -8.178 1.00 0.00 C ATOM 239 C VAL A 17 0.883 3.212 -8.542 1.00 0.00 C ATOM 240 O VAL A 17 0.643 4.108 -9.360 1.00 0.00 O ATOM 241 CB VAL A 17 3.002 3.626 -7.060 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.334 3.626 -5.682 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.397 3.061 -6.804 1.00 0.00 C ATOM 0 H VAL A 17 3.692 3.702 -9.470 1.00 0.00 H new ATOM 0 HA VAL A 17 2.267 1.795 -7.757 1.00 0.00 H new ATOM 0 HB VAL A 17 2.961 4.643 -7.449 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.915 4.243 -4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.325 4.029 -5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.286 2.606 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.885 3.638 -6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.316 2.020 -6.493 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.988 3.122 -7.718 1.00 0.00 H new ATOM 253 N SER A 18 -0.086 2.480 -8.008 1.00 0.00 N ATOM 254 CA SER A 18 -1.506 2.675 -8.228 1.00 0.00 C ATOM 255 C SER A 18 -1.989 3.764 -7.280 1.00 0.00 C ATOM 256 O SER A 18 -1.518 3.855 -6.144 1.00 0.00 O ATOM 257 CB SER A 18 -2.213 1.341 -7.960 1.00 0.00 C ATOM 258 OG SER A 18 -3.577 1.396 -8.334 1.00 0.00 O ATOM 0 H SER A 18 0.110 1.699 -7.381 1.00 0.00 H new ATOM 0 HA SER A 18 -1.722 2.986 -9.250 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.714 0.545 -8.513 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.134 1.092 -6.902 1.00 0.00 H new ATOM 0 HG SER A 18 -3.792 0.625 -8.900 1.00 0.00 H new ATOM 264 N ASP A 19 -2.963 4.570 -7.703 1.00 0.00 N ATOM 265 CA ASP A 19 -3.441 5.706 -6.917 1.00 0.00 C ATOM 266 C ASP A 19 -4.524 5.247 -5.916 1.00 0.00 C ATOM 267 O ASP A 19 -5.564 5.895 -5.766 1.00 0.00 O ATOM 268 CB ASP A 19 -4.055 6.802 -7.811 1.00 0.00 C ATOM 269 CG ASP A 19 -3.162 7.491 -8.836 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.926 7.549 -8.668 1.00 0.00 O ATOM 271 OD2 ASP A 19 -3.769 8.062 -9.780 1.00 0.00 O ATOM 0 H ASP A 19 -3.441 4.454 -8.597 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.577 6.113 -6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.895 6.360 -8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.464 7.572 -7.157 1.00 0.00 H new ATOM 276 N ARG A 20 -4.377 4.071 -5.300 1.00 0.00 N ATOM 277 CA ARG A 20 -5.474 3.355 -4.647 1.00 0.00 C ATOM 278 C ARG A 20 -4.938 2.062 -4.064 1.00 0.00 C ATOM 279 O ARG A 20 -4.681 1.129 -4.815 1.00 0.00 O ATOM 280 CB ARG A 20 -6.637 3.063 -5.624 1.00 0.00 C ATOM 281 CG ARG A 20 -6.268 2.740 -7.092 1.00 0.00 C ATOM 282 CD ARG A 20 -7.402 3.071 -8.062 1.00 0.00 C ATOM 283 NE ARG A 20 -7.523 4.531 -8.265 1.00 0.00 N ATOM 284 CZ ARG A 20 -8.281 5.152 -9.180 1.00 0.00 C ATOM 285 NH1 ARG A 20 -9.087 4.470 -9.980 1.00 0.00 N ATOM 286 NH2 ARG A 20 -8.259 6.473 -9.292 1.00 0.00 N ATOM 0 H ARG A 20 -3.482 3.585 -5.241 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.875 3.987 -3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.208 2.223 -5.227 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.301 3.927 -5.626 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.377 3.302 -7.372 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.017 1.683 -7.177 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.220 2.582 -9.019 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.342 2.676 -7.676 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.973 5.126 -7.645 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.139 3.454 -9.906 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.656 4.961 -10.670 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.661 7.027 -8.679 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.840 6.935 -9.992 1.00 0.00 H new ATOM 300 N PHE A 21 -4.841 1.973 -2.737 1.00 0.00 N ATOM 301 CA PHE A 21 -4.467 0.755 -2.048 1.00 0.00 C ATOM 302 C PHE A 21 -5.362 -0.415 -2.458 1.00 0.00 C ATOM 303 O PHE A 21 -4.897 -1.371 -3.064 1.00 0.00 O ATOM 304 CB PHE A 21 -4.524 0.988 -0.534 1.00 0.00 C ATOM 305 CG PHE A 21 -4.369 -0.281 0.263 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.273 -1.116 -0.005 1.00 0.00 C ATOM 307 CD2 PHE A 21 -5.309 -0.640 1.246 1.00 0.00 C ATOM 308 CE1 PHE A 21 -3.127 -2.330 0.672 1.00 0.00 C ATOM 309 CE2 PHE A 21 -5.145 -1.848 1.943 1.00 0.00 C ATOM 310 CZ PHE A 21 -4.058 -2.691 1.660 1.00 0.00 C ATOM 0 H PHE A 21 -5.023 2.757 -2.111 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.448 0.491 -2.330 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.738 1.687 -0.250 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.475 1.457 -0.280 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.538 -0.819 -0.739 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.147 0.006 1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.303 -2.987 0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.860 -2.131 2.702 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.938 -3.617 2.202 1.00 0.00 H new ATOM 320 N ALA A 22 -6.654 -0.348 -2.125 1.00 0.00 N ATOM 321 CA ALA A 22 -7.560 -1.475 -2.293 1.00 0.00 C ATOM 322 C ALA A 22 -8.057 -1.593 -3.740 1.00 0.00 C ATOM 323 O ALA A 22 -9.019 -2.317 -3.979 1.00 0.00 O ATOM 324 CB ALA A 22 -8.712 -1.369 -1.285 1.00 0.00 C ATOM 0 H ALA A 22 -7.094 0.485 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.016 -2.397 -2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.388 -2.215 -1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.311 -1.377 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.257 -0.440 -1.452 1.00 0.00 H new ATOM 330 N ARG A 23 -7.452 -0.867 -4.693 1.00 0.00 N ATOM 331 CA ARG A 23 -7.613 -1.134 -6.107 1.00 0.00 C ATOM 332 C ARG A 23 -6.232 -1.173 -6.782 1.00 0.00 C ATOM 333 O ARG A 23 -6.061 -0.712 -7.919 1.00 0.00 O ATOM 334 CB ARG A 23 -8.500 -0.026 -6.691 1.00 0.00 C ATOM 335 CG ARG A 23 -9.946 -0.465 -6.928 1.00 0.00 C ATOM 336 CD ARG A 23 -10.650 0.482 -7.917 1.00 0.00 C ATOM 337 NE ARG A 23 -11.675 -0.197 -8.735 1.00 0.00 N ATOM 338 CZ ARG A 23 -11.499 -0.700 -9.968 1.00 0.00 C ATOM 339 NH1 ARG A 23 -10.291 -0.785 -10.517 1.00 0.00 N ATOM 340 NH2 ARG A 23 -12.545 -1.137 -10.659 1.00 0.00 N ATOM 0 H ARG A 23 -6.838 -0.078 -4.490 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.086 -2.101 -6.279 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.494 0.828 -6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.072 0.312 -7.635 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.963 -1.483 -7.318 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.487 -0.477 -5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.116 1.296 -7.363 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.906 0.930 -8.575 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.604 -0.293 -8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.472 -0.464 -10.000 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.183 -1.171 -11.455 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.480 -1.090 -10.253 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.414 -1.519 -11.595 1.00 0.00 H new ATOM 354 N ALA A 24 -5.229 -1.718 -6.099 1.00 0.00 N ATOM 355 CA ALA A 24 -3.949 -1.932 -6.742 1.00 0.00 C ATOM 356 C ALA A 24 -4.000 -3.291 -7.437 1.00 0.00 C ATOM 357 O ALA A 24 -5.069 -3.889 -7.498 1.00 0.00 O ATOM 358 CB ALA A 24 -2.818 -1.818 -5.703 1.00 0.00 C ATOM 0 H ALA A 24 -5.280 -2.011 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.741 -1.173 -7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.857 -1.980 -6.192 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.834 -0.825 -5.255 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.961 -2.569 -4.926 1.00 0.00 H new ATOM 364 N GLU A 25 -2.907 -3.755 -8.037 1.00 0.00 N ATOM 365 CA GLU A 25 -2.850 -5.128 -8.539 1.00 0.00 C ATOM 366 C GLU A 25 -1.721 -5.998 -7.987 1.00 0.00 C ATOM 367 O GLU A 25 -1.742 -7.222 -8.141 1.00 0.00 O ATOM 368 CB GLU A 25 -2.968 -5.089 -10.064 1.00 0.00 C ATOM 369 CG GLU A 25 -4.450 -5.173 -10.464 1.00 0.00 C ATOM 370 CD GLU A 25 -4.670 -6.006 -11.720 1.00 0.00 C ATOM 371 OE1 GLU A 25 -4.783 -7.248 -11.590 1.00 0.00 O ATOM 372 OE2 GLU A 25 -4.763 -5.417 -12.818 1.00 0.00 O ATOM 0 H GLU A 25 -2.058 -3.210 -8.187 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.706 -5.671 -8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.527 -4.170 -10.450 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.414 -5.918 -10.504 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.021 -5.604 -9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.836 -4.167 -10.627 1.00 0.00 H new ATOM 379 N TYR A 26 -0.731 -5.387 -7.344 1.00 0.00 N ATOM 380 CA TYR A 26 0.425 -6.023 -6.765 1.00 0.00 C ATOM 381 C TYR A 26 0.735 -5.225 -5.502 1.00 0.00 C ATOM 382 O TYR A 26 0.392 -4.040 -5.425 1.00 0.00 O ATOM 383 CB TYR A 26 1.605 -5.994 -7.765 1.00 0.00 C ATOM 384 CG TYR A 26 1.429 -6.864 -8.999 1.00 0.00 C ATOM 385 CD1 TYR A 26 0.615 -6.440 -10.067 1.00 0.00 C ATOM 386 CD2 TYR A 26 2.096 -8.098 -9.094 1.00 0.00 C ATOM 387 CE1 TYR A 26 0.433 -7.251 -11.200 1.00 0.00 C ATOM 388 CE2 TYR A 26 1.946 -8.904 -10.230 1.00 0.00 C ATOM 389 CZ TYR A 26 1.095 -8.496 -11.278 1.00 0.00 C ATOM 390 OH TYR A 26 0.925 -9.320 -12.342 1.00 0.00 O ATOM 0 H TYR A 26 -0.723 -4.376 -7.211 1.00 0.00 H new ATOM 0 HA TYR A 26 0.250 -7.073 -6.530 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.763 -4.964 -8.086 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.509 -6.308 -7.244 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.124 -5.479 -10.015 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.730 -8.428 -8.284 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.208 -6.925 -12.005 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.482 -9.838 -10.303 1.00 0.00 H new ATOM 0 HH TYR A 26 0.739 -8.786 -13.143 1.00 0.00 H new ATOM 400 N PHE A 27 1.387 -5.841 -4.518 1.00 0.00 N ATOM 401 CA PHE A 27 1.811 -5.157 -3.303 1.00 0.00 C ATOM 402 C PHE A 27 3.246 -5.527 -3.025 1.00 0.00 C ATOM 403 O PHE A 27 3.570 -6.690 -2.811 1.00 0.00 O ATOM 404 CB PHE A 27 0.939 -5.469 -2.095 1.00 0.00 C ATOM 405 CG PHE A 27 -0.475 -4.982 -2.236 1.00 0.00 C ATOM 406 CD1 PHE A 27 -0.755 -3.605 -2.246 1.00 0.00 C ATOM 407 CD2 PHE A 27 -1.510 -5.915 -2.382 1.00 0.00 C ATOM 408 CE1 PHE A 27 -2.076 -3.172 -2.431 1.00 0.00 C ATOM 409 CE2 PHE A 27 -2.826 -5.471 -2.533 1.00 0.00 C ATOM 410 CZ PHE A 27 -3.112 -4.100 -2.572 1.00 0.00 C ATOM 0 H PHE A 27 1.635 -6.830 -4.543 1.00 0.00 H new ATOM 0 HA PHE A 27 1.709 -4.085 -3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.929 -6.547 -1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.384 -5.017 -1.209 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.040 -2.886 -2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.291 -6.973 -2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.294 -2.115 -2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.628 -6.189 -2.620 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.128 -3.762 -2.710 1.00 0.00 H new ATOM 420 N ILE A 28 4.108 -4.533 -3.070 1.00 0.00 N ATOM 421 CA ILE A 28 5.540 -4.721 -2.996 1.00 0.00 C ATOM 422 C ILE A 28 5.887 -4.517 -1.530 1.00 0.00 C ATOM 423 O ILE A 28 5.556 -3.463 -1.000 1.00 0.00 O ATOM 424 CB ILE A 28 6.206 -3.755 -3.994 1.00 0.00 C ATOM 425 CG1 ILE A 28 5.466 -3.706 -5.353 1.00 0.00 C ATOM 426 CG2 ILE A 28 7.672 -4.155 -4.165 1.00 0.00 C ATOM 427 CD1 ILE A 28 5.265 -5.056 -6.043 1.00 0.00 C ATOM 0 H ILE A 28 3.828 -3.556 -3.160 1.00 0.00 H new ATOM 0 HA ILE A 28 5.904 -5.706 -3.289 1.00 0.00 H new ATOM 0 HB ILE A 28 6.149 -2.744 -3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.489 -3.248 -5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.022 -3.053 -6.026 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.154 -3.478 -4.870 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.179 -4.098 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.729 -5.175 -4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.737 -4.908 -6.985 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.235 -5.513 -6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.679 -5.711 -5.398 1.00 0.00 H new ATOM 439 N ILE A 29 6.422 -5.530 -0.847 1.00 0.00 N ATOM 440 CA ILE A 29 6.625 -5.511 0.598 1.00 0.00 C ATOM 441 C ILE A 29 8.119 -5.411 0.872 1.00 0.00 C ATOM 442 O ILE A 29 8.834 -6.413 0.824 1.00 0.00 O ATOM 443 CB ILE A 29 5.939 -6.689 1.321 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.420 -6.674 1.046 1.00 0.00 C ATOM 445 CG2 ILE A 29 6.209 -6.545 2.832 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.711 -7.922 1.571 1.00 0.00 C ATOM 0 H ILE A 29 6.729 -6.396 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 29 6.134 -4.634 1.020 1.00 0.00 H new ATOM 0 HB ILE A 29 6.337 -7.636 0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.980 -5.790 1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.250 -6.590 -0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.734 -7.367 3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.284 -6.567 3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.801 -5.598 3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.646 -7.856 1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.128 -8.807 1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.853 -7.995 2.649 1.00 0.00 H new ATOM 458 N TYR A 30 8.582 -4.192 1.131 1.00 0.00 N ATOM 459 CA TYR A 30 9.974 -3.876 1.420 1.00 0.00 C ATOM 460 C TYR A 30 10.234 -4.124 2.915 1.00 0.00 C ATOM 461 O TYR A 30 9.688 -3.418 3.767 1.00 0.00 O ATOM 462 CB TYR A 30 10.202 -2.401 1.050 1.00 0.00 C ATOM 463 CG TYR A 30 11.655 -1.959 0.995 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.485 -2.337 -0.079 1.00 0.00 C ATOM 465 CD2 TYR A 30 12.196 -1.206 2.052 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.858 -2.005 -0.064 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.554 -0.836 2.058 1.00 0.00 C ATOM 468 CZ TYR A 30 14.394 -1.242 0.997 1.00 0.00 C ATOM 469 OH TYR A 30 15.725 -0.966 1.008 1.00 0.00 O ATOM 0 H TYR A 30 7.977 -3.371 1.146 1.00 0.00 H new ATOM 0 HA TYR A 30 10.660 -4.500 0.847 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.746 -2.213 0.078 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.677 -1.777 1.774 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.071 -2.881 -0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.560 -0.907 2.872 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.500 -2.336 -0.867 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.952 -0.245 2.870 1.00 0.00 H new ATOM 0 HH TYR A 30 15.942 -0.432 1.801 1.00 0.00 H new ATOM 479 N ASP A 31 11.027 -5.150 3.218 1.00 0.00 N ATOM 480 CA ASP A 31 11.517 -5.572 4.526 1.00 0.00 C ATOM 481 C ASP A 31 12.697 -4.707 4.985 1.00 0.00 C ATOM 482 O ASP A 31 13.831 -4.922 4.536 1.00 0.00 O ATOM 483 CB ASP A 31 12.000 -7.042 4.403 1.00 0.00 C ATOM 484 CG ASP A 31 11.177 -8.004 5.225 1.00 0.00 C ATOM 485 OD1 ASP A 31 11.119 -7.793 6.451 1.00 0.00 O ATOM 486 OD2 ASP A 31 10.609 -8.963 4.644 1.00 0.00 O ATOM 0 H ASP A 31 11.375 -5.765 2.482 1.00 0.00 H new ATOM 0 HA ASP A 31 10.713 -5.471 5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.964 -7.344 3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.042 -7.104 4.717 1.00 0.00 H new ATOM 491 N THR A 32 12.484 -3.736 5.882 1.00 0.00 N ATOM 492 CA THR A 32 13.536 -2.792 6.277 1.00 0.00 C ATOM 493 C THR A 32 14.571 -3.419 7.234 1.00 0.00 C ATOM 494 O THR A 32 14.951 -2.801 8.229 1.00 0.00 O ATOM 495 CB THR A 32 12.969 -1.463 6.807 1.00 0.00 C ATOM 496 OG1 THR A 32 12.476 -1.613 8.113 1.00 0.00 O ATOM 497 CG2 THR A 32 11.897 -0.840 5.920 1.00 0.00 C ATOM 0 H THR A 32 11.590 -3.584 6.349 1.00 0.00 H new ATOM 0 HA THR A 32 14.080 -2.548 5.364 1.00 0.00 H new ATOM 0 HB THR A 32 13.812 -0.772 6.802 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.184 -1.967 8.691 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.552 0.093 6.367 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.314 -0.638 4.933 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.058 -1.529 5.825 1.00 0.00 H new ATOM 505 N GLU A 33 15.013 -4.644 6.968 1.00 0.00 N ATOM 506 CA GLU A 33 16.050 -5.326 7.720 1.00 0.00 C ATOM 507 C GLU A 33 17.084 -5.925 6.835 1.00 0.00 C ATOM 508 O GLU A 33 18.265 -5.802 7.187 1.00 0.00 O ATOM 509 CB GLU A 33 15.496 -6.378 8.684 1.00 0.00 C ATOM 510 CG GLU A 33 14.728 -5.697 9.822 1.00 0.00 C ATOM 511 CD GLU A 33 14.643 -6.520 11.102 1.00 0.00 C ATOM 512 OE1 GLU A 33 14.774 -7.765 11.073 1.00 0.00 O ATOM 513 OE2 GLU A 33 14.526 -5.908 12.186 1.00 0.00 O ATOM 0 H GLU A 33 14.645 -5.203 6.198 1.00 0.00 H new ATOM 0 HA GLU A 33 16.525 -4.552 8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.837 -7.062 8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 33 16.312 -6.975 9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.206 -4.744 10.048 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.718 -5.474 9.480 1.00 0.00 H new ATOM 520 N SER A 34 16.684 -6.466 5.690 1.00 0.00 N ATOM 521 CA SER A 34 17.676 -6.976 4.787 1.00 0.00 C ATOM 522 C SER A 34 17.421 -6.528 3.341 1.00 0.00 C ATOM 523 O SER A 34 17.785 -7.241 2.404 1.00 0.00 O ATOM 524 CB SER A 34 17.654 -8.508 4.943 1.00 0.00 C ATOM 525 OG SER A 34 18.422 -8.953 6.044 1.00 0.00 O ATOM 0 H SER A 34 15.715 -6.556 5.384 1.00 0.00 H new ATOM 0 HA SER A 34 18.664 -6.582 5.027 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.624 -8.843 5.064 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.033 -8.968 4.030 1.00 0.00 H new ATOM 0 HG SER A 34 18.375 -9.930 6.102 1.00 0.00 H new ATOM 531 N GLY A 35 16.943 -5.292 3.147 1.00 0.00 N ATOM 532 CA GLY A 35 16.640 -4.677 1.846 1.00 0.00 C ATOM 533 C GLY A 35 15.909 -5.623 0.894 1.00 0.00 C ATOM 534 O GLY A 35 16.120 -5.569 -0.317 1.00 0.00 O ATOM 0 H GLY A 35 16.748 -4.664 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.031 -3.787 2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.569 -4.348 1.380 1.00 0.00 H new ATOM 538 N ASN A 36 15.123 -6.544 1.450 1.00 0.00 N ATOM 539 CA ASN A 36 14.454 -7.597 0.717 1.00 0.00 C ATOM 540 C ASN A 36 13.080 -7.086 0.308 1.00 0.00 C ATOM 541 O ASN A 36 12.490 -6.252 1.003 1.00 0.00 O ATOM 542 CB ASN A 36 14.339 -8.834 1.611 1.00 0.00 C ATOM 543 CG ASN A 36 13.636 -9.952 0.870 1.00 0.00 C ATOM 544 OD1 ASN A 36 12.423 -10.100 0.967 1.00 0.00 O ATOM 545 ND2 ASN A 36 14.358 -10.714 0.076 1.00 0.00 N ATOM 0 H ASN A 36 14.934 -6.572 2.452 1.00 0.00 H new ATOM 0 HA ASN A 36 15.014 -7.874 -0.176 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.332 -9.161 1.921 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.788 -8.586 2.518 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.909 -11.446 -0.475 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.366 -10.572 0.011 1.00 0.00 H new ATOM 552 N VAL A 37 12.558 -7.582 -0.802 1.00 0.00 N ATOM 553 CA VAL A 37 11.255 -7.239 -1.307 1.00 0.00 C ATOM 554 C VAL A 37 10.510 -8.520 -1.676 1.00 0.00 C ATOM 555 O VAL A 37 11.088 -9.507 -2.140 1.00 0.00 O ATOM 556 CB VAL A 37 11.357 -6.251 -2.489 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.180 -5.283 -2.378 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.647 -5.412 -2.562 1.00 0.00 C ATOM 0 H VAL A 37 13.052 -8.255 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 37 10.685 -6.724 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 37 11.356 -6.864 -3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.219 -4.567 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.245 -5.840 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.236 -4.750 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.606 -4.756 -3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.742 -4.811 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.508 -6.075 -2.649 1.00 0.00 H new ATOM 568 N GLU A 38 9.194 -8.483 -1.544 1.00 0.00 N ATOM 569 CA GLU A 38 8.269 -9.522 -1.959 1.00 0.00 C ATOM 570 C GLU A 38 7.271 -8.831 -2.877 1.00 0.00 C ATOM 571 O GLU A 38 6.790 -7.752 -2.527 1.00 0.00 O ATOM 572 CB GLU A 38 7.611 -10.108 -0.698 1.00 0.00 C ATOM 573 CG GLU A 38 6.323 -10.909 -0.933 1.00 0.00 C ATOM 574 CD GLU A 38 6.559 -12.282 -1.561 1.00 0.00 C ATOM 575 OE1 GLU A 38 7.243 -12.389 -2.598 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.012 -13.260 -0.996 1.00 0.00 O ATOM 0 H GLU A 38 8.719 -7.685 -1.122 1.00 0.00 H new ATOM 0 HA GLU A 38 8.738 -10.352 -2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.334 -10.754 -0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.389 -9.290 -0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.807 -11.038 0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.660 -10.333 -1.579 1.00 0.00 H new ATOM 583 N VAL A 39 6.946 -9.422 -4.025 1.00 0.00 N ATOM 584 CA VAL A 39 5.879 -8.929 -4.882 1.00 0.00 C ATOM 585 C VAL A 39 4.676 -9.828 -4.625 1.00 0.00 C ATOM 586 O VAL A 39 4.645 -10.994 -5.014 1.00 0.00 O ATOM 587 CB VAL A 39 6.291 -8.888 -6.367 1.00 0.00 C ATOM 588 CG1 VAL A 39 5.186 -8.255 -7.234 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.605 -8.120 -6.581 1.00 0.00 C ATOM 0 H VAL A 39 7.416 -10.254 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 39 5.636 -7.893 -4.646 1.00 0.00 H new ATOM 0 HB VAL A 39 6.443 -9.923 -6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.505 -8.240 -8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.272 -8.841 -7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.998 -7.235 -6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.856 -8.117 -7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.487 -7.094 -6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.405 -8.604 -6.020 1.00 0.00 H new ATOM 599 N VAL A 40 3.670 -9.286 -3.957 1.00 0.00 N ATOM 600 CA VAL A 40 2.352 -9.885 -3.881 1.00 0.00 C ATOM 601 C VAL A 40 1.648 -9.551 -5.195 1.00 0.00 C ATOM 602 O VAL A 40 1.887 -8.496 -5.775 1.00 0.00 O ATOM 603 CB VAL A 40 1.621 -9.257 -2.686 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.135 -9.630 -2.591 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.374 -9.526 -1.375 1.00 0.00 C ATOM 0 H VAL A 40 3.750 -8.406 -3.447 1.00 0.00 H new ATOM 0 HA VAL A 40 2.381 -10.966 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 40 1.623 -8.182 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.307 -9.146 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.382 -9.299 -3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.037 -10.711 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.834 -9.070 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.449 -10.601 -1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.375 -9.098 -1.436 1.00 0.00 H new ATOM 615 N GLU A 41 0.716 -10.402 -5.604 1.00 0.00 N ATOM 616 CA GLU A 41 -0.117 -10.284 -6.790 1.00 0.00 C ATOM 617 C GLU A 41 -1.540 -10.420 -6.261 1.00 0.00 C ATOM 618 O GLU A 41 -1.928 -11.508 -5.825 1.00 0.00 O ATOM 619 CB GLU A 41 0.270 -11.393 -7.779 1.00 0.00 C ATOM 620 CG GLU A 41 -0.424 -11.260 -9.133 1.00 0.00 C ATOM 621 CD GLU A 41 0.143 -12.282 -10.125 1.00 0.00 C ATOM 622 OE1 GLU A 41 1.278 -12.110 -10.627 1.00 0.00 O ATOM 623 OE2 GLU A 41 -0.563 -13.277 -10.415 1.00 0.00 O ATOM 0 H GLU A 41 0.509 -11.251 -5.078 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.003 -9.347 -7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.350 -11.377 -7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.022 -12.361 -7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.497 -11.413 -9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.287 -10.251 -9.522 1.00 0.00 H new ATOM 630 N ASN A 42 -2.266 -9.311 -6.147 1.00 0.00 N ATOM 631 CA ASN A 42 -3.539 -9.235 -5.439 1.00 0.00 C ATOM 632 C ASN A 42 -4.518 -8.632 -6.416 1.00 0.00 C ATOM 633 O ASN A 42 -4.371 -7.477 -6.799 1.00 0.00 O ATOM 634 CB ASN A 42 -3.433 -8.367 -4.178 1.00 0.00 C ATOM 635 CG ASN A 42 -4.029 -9.013 -2.940 1.00 0.00 C ATOM 636 OD1 ASN A 42 -5.216 -8.870 -2.667 1.00 0.00 O ATOM 637 ND2 ASN A 42 -3.235 -9.704 -2.145 1.00 0.00 N ATOM 0 H ASN A 42 -1.978 -8.421 -6.554 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.856 -10.222 -5.103 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.383 -8.142 -3.990 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.935 -7.417 -4.359 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.607 -10.126 -1.294 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.249 -9.817 -2.381 1.00 0.00 H new ATOM 754 N PRO A 52 -11.453 -8.439 4.569 1.00 0.00 N ATOM 755 CA PRO A 52 -10.434 -7.650 3.897 1.00 0.00 C ATOM 756 C PRO A 52 -9.866 -8.382 2.694 1.00 0.00 C ATOM 757 O PRO A 52 -9.865 -7.812 1.605 1.00 0.00 O ATOM 758 CB PRO A 52 -9.359 -7.378 4.943 1.00 0.00 C ATOM 759 CG PRO A 52 -9.510 -8.519 5.941 1.00 0.00 C ATOM 760 CD PRO A 52 -11.002 -8.844 5.894 1.00 0.00 C ATOM 0 HA PRO A 52 -10.849 -6.721 3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.364 -7.368 4.498 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.505 -6.409 5.421 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.903 -9.380 5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.196 -8.221 6.941 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.176 -9.907 6.059 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.544 -8.308 6.673 1.00 0.00 H new ATOM 768 N LYS A 53 -9.360 -9.606 2.884 1.00 0.00 N ATOM 769 CA LYS A 53 -8.572 -10.389 1.936 1.00 0.00 C ATOM 770 C LYS A 53 -7.280 -9.682 1.532 1.00 0.00 C ATOM 771 O LYS A 53 -6.221 -10.183 1.901 1.00 0.00 O ATOM 772 CB LYS A 53 -9.496 -10.887 0.821 1.00 0.00 C ATOM 773 CG LYS A 53 -8.844 -11.367 -0.476 1.00 0.00 C ATOM 774 CD LYS A 53 -8.673 -10.285 -1.550 1.00 0.00 C ATOM 775 CE LYS A 53 -9.900 -9.382 -1.773 1.00 0.00 C ATOM 776 NZ LYS A 53 -11.019 -10.115 -2.391 1.00 0.00 N ATOM 0 H LYS A 53 -9.502 -10.105 3.762 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.174 -11.293 2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.093 -11.707 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.187 -10.081 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.865 -11.784 -0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.444 -12.177 -0.889 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.825 -9.657 -1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.422 -10.769 -2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.222 -8.966 -0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.621 -8.542 -2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.825 -9.471 -2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.720 -10.491 -3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.303 -10.901 -1.772 1.00 0.00 H new ATOM 790 N VAL A 54 -7.344 -8.505 0.899 1.00 0.00 N ATOM 791 CA VAL A 54 -6.179 -7.703 0.554 1.00 0.00 C ATOM 792 C VAL A 54 -5.341 -7.509 1.825 1.00 0.00 C ATOM 793 O VAL A 54 -4.220 -7.999 1.932 1.00 0.00 O ATOM 794 CB VAL A 54 -6.558 -6.395 -0.175 1.00 0.00 C ATOM 795 CG1 VAL A 54 -7.645 -5.489 0.423 1.00 0.00 C ATOM 796 CG2 VAL A 54 -5.303 -5.542 -0.369 1.00 0.00 C ATOM 0 H VAL A 54 -8.226 -8.081 0.610 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.562 -8.224 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.006 -6.771 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.784 -4.617 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.582 -6.041 0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.342 -5.165 1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.567 -4.618 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.870 -5.305 0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.576 -6.094 -0.965 1.00 0.00 H new ATOM 806 N VAL A 55 -5.936 -6.845 2.819 1.00 0.00 N ATOM 807 CA VAL A 55 -5.354 -6.582 4.128 1.00 0.00 C ATOM 808 C VAL A 55 -4.969 -7.894 4.790 1.00 0.00 C ATOM 809 O VAL A 55 -3.797 -8.011 5.110 1.00 0.00 O ATOM 810 CB VAL A 55 -6.271 -5.658 4.972 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.451 -4.767 5.896 1.00 0.00 C ATOM 812 CG2 VAL A 55 -7.151 -4.716 4.122 1.00 0.00 C ATOM 0 H VAL A 55 -6.876 -6.462 2.725 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.427 -6.018 4.026 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.910 -6.343 5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.120 -4.130 6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.864 -5.387 6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.782 -4.145 5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.765 -4.100 4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.514 -4.074 3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.796 -5.308 3.472 1.00 0.00 H new ATOM 822 N GLN A 56 -5.875 -8.879 4.904 1.00 0.00 N ATOM 823 CA GLN A 56 -5.599 -10.158 5.566 1.00 0.00 C ATOM 824 C GLN A 56 -4.256 -10.744 5.117 1.00 0.00 C ATOM 825 O GLN A 56 -3.443 -11.122 5.961 1.00 0.00 O ATOM 826 CB GLN A 56 -6.734 -11.176 5.336 1.00 0.00 C ATOM 827 CG GLN A 56 -7.612 -11.387 6.582 1.00 0.00 C ATOM 828 CD GLN A 56 -7.040 -12.336 7.633 1.00 0.00 C ATOM 829 OE1 GLN A 56 -5.866 -12.700 7.628 1.00 0.00 O ATOM 830 NE2 GLN A 56 -7.883 -12.712 8.581 1.00 0.00 N ATOM 0 H GLN A 56 -6.824 -8.807 4.536 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.542 -9.954 6.635 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.359 -10.835 4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.303 -12.131 5.036 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.789 -10.418 7.049 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.582 -11.768 6.262 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.852 -12.393 8.558 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.564 -13.321 9.335 1.00 0.00 H new ATOM 839 N SER A 57 -4.010 -10.791 3.804 1.00 0.00 N ATOM 840 CA SER A 57 -2.790 -11.338 3.239 1.00 0.00 C ATOM 841 C SER A 57 -1.571 -10.551 3.699 1.00 0.00 C ATOM 842 O SER A 57 -0.731 -11.112 4.401 1.00 0.00 O ATOM 843 CB SER A 57 -2.949 -11.427 1.711 1.00 0.00 C ATOM 844 OG SER A 57 -1.927 -12.205 1.121 1.00 0.00 O ATOM 0 H SER A 57 -4.665 -10.444 3.103 1.00 0.00 H new ATOM 0 HA SER A 57 -2.617 -12.350 3.604 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.920 -11.860 1.471 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.934 -10.424 1.285 1.00 0.00 H new ATOM 0 HG SER A 57 -2.062 -12.241 0.151 1.00 0.00 H new ATOM 850 N LEU A 58 -1.494 -9.267 3.348 1.00 0.00 N ATOM 851 CA LEU A 58 -0.382 -8.362 3.641 1.00 0.00 C ATOM 852 C LEU A 58 -0.061 -8.343 5.136 1.00 0.00 C ATOM 853 O LEU A 58 1.095 -8.444 5.540 1.00 0.00 O ATOM 854 CB LEU A 58 -0.744 -6.941 3.170 1.00 0.00 C ATOM 855 CG LEU A 58 -1.124 -6.838 1.682 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.713 -5.460 1.385 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.040 -7.124 0.754 1.00 0.00 C ATOM 0 H LEU A 58 -2.241 -8.808 2.827 1.00 0.00 H new ATOM 0 HA LEU A 58 0.501 -8.718 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.576 -6.574 3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.103 -6.282 3.362 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.873 -7.607 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.978 -5.398 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.604 -5.307 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.977 -4.691 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.290 -7.036 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.840 -6.408 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.408 -8.134 0.933 1.00 0.00 H new ATOM 869 N VAL A 59 -1.097 -8.219 5.961 1.00 0.00 N ATOM 870 CA VAL A 59 -1.038 -8.255 7.413 1.00 0.00 C ATOM 871 C VAL A 59 -0.401 -9.556 7.882 1.00 0.00 C ATOM 872 O VAL A 59 0.492 -9.518 8.722 1.00 0.00 O ATOM 873 CB VAL A 59 -2.475 -8.065 7.935 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.697 -8.550 9.375 1.00 0.00 C ATOM 875 CG2 VAL A 59 -2.785 -6.564 7.900 1.00 0.00 C ATOM 0 H VAL A 59 -2.047 -8.084 5.614 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.411 -7.457 7.811 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.125 -8.664 7.296 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.735 -8.378 9.661 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.475 -9.615 9.439 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.039 -8.001 10.049 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.798 -6.393 8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.077 -6.031 8.534 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.701 -6.199 6.876 1.00 0.00 H new ATOM 885 N SER A 60 -0.803 -10.690 7.315 1.00 0.00 N ATOM 886 CA SER A 60 -0.234 -11.995 7.613 1.00 0.00 C ATOM 887 C SER A 60 1.182 -12.159 7.032 1.00 0.00 C ATOM 888 O SER A 60 1.744 -13.255 7.062 1.00 0.00 O ATOM 889 CB SER A 60 -1.210 -13.069 7.130 1.00 0.00 C ATOM 890 OG SER A 60 -2.482 -12.860 7.734 1.00 0.00 O ATOM 0 H SER A 60 -1.550 -10.725 6.621 1.00 0.00 H new ATOM 0 HA SER A 60 -0.103 -12.101 8.690 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.300 -13.032 6.044 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.833 -14.059 7.385 1.00 0.00 H new ATOM 0 HG SER A 60 -3.060 -12.364 7.117 1.00 0.00 H new ATOM 896 N LYS A 61 1.786 -11.091 6.491 1.00 0.00 N ATOM 897 CA LYS A 61 3.206 -11.026 6.156 1.00 0.00 C ATOM 898 C LYS A 61 3.808 -9.848 6.937 1.00 0.00 C ATOM 899 O LYS A 61 4.748 -9.194 6.485 1.00 0.00 O ATOM 900 CB LYS A 61 3.404 -10.964 4.617 1.00 0.00 C ATOM 901 CG LYS A 61 2.219 -11.514 3.792 1.00 0.00 C ATOM 902 CD LYS A 61 2.452 -12.377 2.564 1.00 0.00 C ATOM 903 CE LYS A 61 3.459 -11.835 1.541 1.00 0.00 C ATOM 904 NZ LYS A 61 3.677 -12.800 0.438 1.00 0.00 N ATOM 0 H LYS A 61 1.284 -10.231 6.271 1.00 0.00 H new ATOM 0 HA LYS A 61 3.741 -11.927 6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.580 -9.928 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.302 -11.525 4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.596 -12.092 4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.628 -10.656 3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.792 -13.359 2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.496 -12.523 2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.096 -10.891 1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.407 -11.625 2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.685 -12.815 0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.383 -13.749 0.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.116 -12.514 -0.390 1.00 0.00 H new ATOM 918 N GLY A 62 3.342 -9.659 8.173 1.00 0.00 N ATOM 919 CA GLY A 62 3.766 -8.694 9.176 1.00 0.00 C ATOM 920 C GLY A 62 3.678 -7.213 8.807 1.00 0.00 C ATOM 921 O GLY A 62 4.141 -6.413 9.610 1.00 0.00 O ATOM 0 H GLY A 62 2.582 -10.239 8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.167 -8.854 10.072 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.800 -8.915 9.440 1.00 0.00 H new ATOM 925 N VAL A 63 3.131 -6.820 7.651 1.00 0.00 N ATOM 926 CA VAL A 63 3.154 -5.449 7.123 1.00 0.00 C ATOM 927 C VAL A 63 2.618 -4.419 8.127 1.00 0.00 C ATOM 928 O VAL A 63 1.400 -4.341 8.311 1.00 0.00 O ATOM 929 CB VAL A 63 2.395 -5.423 5.782 1.00 0.00 C ATOM 930 CG1 VAL A 63 2.167 -4.017 5.225 1.00 0.00 C ATOM 931 CG2 VAL A 63 3.170 -6.163 4.689 1.00 0.00 C ATOM 0 H VAL A 63 2.643 -7.470 7.035 1.00 0.00 H new ATOM 0 HA VAL A 63 4.189 -5.153 6.950 1.00 0.00 H new ATOM 0 HB VAL A 63 1.440 -5.894 6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.627 -4.083 4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.583 -3.434 5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.128 -3.531 5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.608 -6.126 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.141 -5.688 4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.314 -7.202 4.985 1.00 0.00 H new ATOM 941 N GLU A 64 3.500 -3.581 8.696 1.00 0.00 N ATOM 942 CA GLU A 64 3.110 -2.531 9.657 1.00 0.00 C ATOM 943 C GLU A 64 3.160 -1.132 9.022 1.00 0.00 C ATOM 944 O GLU A 64 3.328 -0.114 9.698 1.00 0.00 O ATOM 945 CB GLU A 64 4.130 -2.558 10.820 1.00 0.00 C ATOM 946 CG GLU A 64 3.928 -3.727 11.797 1.00 0.00 C ATOM 947 CD GLU A 64 3.582 -3.232 13.198 1.00 0.00 C ATOM 948 OE1 GLU A 64 2.376 -3.055 13.486 1.00 0.00 O ATOM 949 OE2 GLU A 64 4.507 -2.975 14.003 1.00 0.00 O ATOM 0 H GLU A 64 4.501 -3.610 8.505 1.00 0.00 H new ATOM 0 HA GLU A 64 2.090 -2.724 9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.137 -2.613 10.406 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.063 -1.620 11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.131 -4.374 11.432 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.835 -4.330 11.837 1.00 0.00 H new ATOM 956 N TYR A 65 2.813 -1.008 7.748 1.00 0.00 N ATOM 957 CA TYR A 65 2.977 0.230 7.005 1.00 0.00 C ATOM 958 C TYR A 65 2.407 0.031 5.610 1.00 0.00 C ATOM 959 O TYR A 65 2.184 -1.090 5.156 1.00 0.00 O ATOM 960 CB TYR A 65 4.461 0.545 6.811 1.00 0.00 C ATOM 961 CG TYR A 65 5.223 1.396 7.792 1.00 0.00 C ATOM 962 CD1 TYR A 65 4.904 2.751 7.966 1.00 0.00 C ATOM 963 CD2 TYR A 65 6.381 0.867 8.377 1.00 0.00 C ATOM 964 CE1 TYR A 65 5.701 3.563 8.790 1.00 0.00 C ATOM 965 CE2 TYR A 65 7.186 1.667 9.210 1.00 0.00 C ATOM 966 CZ TYR A 65 6.843 3.023 9.417 1.00 0.00 C ATOM 967 OH TYR A 65 7.647 3.822 10.168 1.00 0.00 O ATOM 0 H TYR A 65 2.408 -1.767 7.200 1.00 0.00 H new ATOM 0 HA TYR A 65 2.480 1.030 7.554 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.982 -0.411 6.751 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.558 1.023 5.836 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.044 3.171 7.465 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.657 -0.160 8.188 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.439 4.600 8.943 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.059 1.248 9.688 1.00 0.00 H new ATOM 0 HH TYR A 65 8.388 3.293 10.530 1.00 0.00 H new ATOM 977 N LEU A 66 2.253 1.118 4.871 1.00 0.00 N ATOM 978 CA LEU A 66 1.790 1.118 3.502 1.00 0.00 C ATOM 979 C LEU A 66 2.074 2.501 2.920 1.00 0.00 C ATOM 980 O LEU A 66 2.087 3.485 3.653 1.00 0.00 O ATOM 981 CB LEU A 66 0.297 0.756 3.540 1.00 0.00 C ATOM 982 CG LEU A 66 -0.516 1.093 2.289 1.00 0.00 C ATOM 983 CD1 LEU A 66 -0.107 0.320 1.027 1.00 0.00 C ATOM 984 CD2 LEU A 66 -1.992 0.794 2.555 1.00 0.00 C ATOM 0 H LEU A 66 2.455 2.053 5.224 1.00 0.00 H new ATOM 0 HA LEU A 66 2.293 0.393 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.210 -0.314 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.157 1.266 4.390 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.324 2.148 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.738 0.625 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.935 0.534 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.227 -0.749 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.577 1.032 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.112 -0.262 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.341 1.399 3.392 1.00 0.00 H new ATOM 996 N ILE A 67 2.272 2.592 1.610 1.00 0.00 N ATOM 997 CA ILE A 67 2.473 3.824 0.860 1.00 0.00 C ATOM 998 C ILE A 67 1.336 3.874 -0.151 1.00 0.00 C ATOM 999 O ILE A 67 1.416 3.219 -1.179 1.00 0.00 O ATOM 1000 CB ILE A 67 3.871 3.781 0.210 1.00 0.00 C ATOM 1001 CG1 ILE A 67 4.965 3.866 1.300 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.099 4.969 -0.731 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.309 3.270 0.876 1.00 0.00 C ATOM 0 H ILE A 67 2.298 1.766 1.013 1.00 0.00 H new ATOM 0 HA ILE A 67 2.450 4.726 1.472 1.00 0.00 H new ATOM 0 HB ILE A 67 3.926 2.846 -0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.112 4.911 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.615 3.349 2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.095 4.901 -1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.352 4.953 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.012 5.899 -0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.024 3.367 1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.179 2.216 0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.683 3.802 0.001 1.00 0.00 H new ATOM 1015 N ALA A 68 0.236 4.556 0.157 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.981 4.547 -0.644 1.00 0.00 C ATOM 1017 C ALA A 68 -1.729 5.875 -0.528 1.00 0.00 C ATOM 1018 O ALA A 68 -2.402 6.162 0.465 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.947 3.456 -0.208 1.00 0.00 C ATOM 0 H ALA A 68 0.166 5.142 0.989 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.656 4.370 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.839 3.488 -0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.467 2.483 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.228 3.614 0.833 1.00 0.00 H new ATOM 1025 N SER A 69 -1.692 6.627 -1.612 1.00 0.00 N ATOM 1026 CA SER A 69 -2.331 7.912 -1.828 1.00 0.00 C ATOM 1027 C SER A 69 -3.814 7.986 -1.446 1.00 0.00 C ATOM 1028 O SER A 69 -4.315 9.068 -1.146 1.00 0.00 O ATOM 1029 CB SER A 69 -2.160 8.249 -3.308 1.00 0.00 C ATOM 1030 OG SER A 69 -3.022 7.545 -4.184 1.00 0.00 O ATOM 0 H SER A 69 -1.169 6.328 -2.435 1.00 0.00 H new ATOM 0 HA SER A 69 -1.848 8.629 -1.164 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.323 9.318 -3.443 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.129 8.045 -3.595 1.00 0.00 H new ATOM 0 HG SER A 69 -2.962 7.932 -5.083 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.529 6.864 -1.512 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.969 6.747 -1.393 1.00 0.00 C ATOM 1038 C ASN A 70 -6.261 5.254 -1.252 1.00 0.00 C ATOM 1039 O ASN A 70 -5.373 4.414 -1.440 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.636 7.209 -2.710 1.00 0.00 C ATOM 1041 CG ASN A 70 -6.920 8.697 -2.870 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -6.818 9.221 -3.975 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -7.383 9.383 -1.840 1.00 0.00 N ATOM 0 H ASN A 70 -4.083 5.959 -1.660 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.338 7.341 -0.557 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.998 6.897 -3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.579 6.673 -2.815 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.660 10.358 -1.959 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.464 8.938 -0.926 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.532 4.882 -1.095 1.00 0.00 N ATOM 1051 CA VAL A 71 -7.961 3.498 -1.048 1.00 0.00 C ATOM 1052 C VAL A 71 -9.130 3.322 -2.022 1.00 0.00 C ATOM 1053 O VAL A 71 -9.810 4.287 -2.375 1.00 0.00 O ATOM 1054 CB VAL A 71 -8.195 3.156 0.439 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.389 3.862 1.078 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -8.311 1.662 0.706 1.00 0.00 C ATOM 0 H VAL A 71 -8.297 5.549 -0.996 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.230 2.768 -1.396 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.290 3.537 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.474 3.560 2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.246 4.941 1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.300 3.589 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.475 1.494 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.150 1.256 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.391 1.165 0.397 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.318 2.090 -2.499 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.510 1.662 -3.223 1.00 0.00 C ATOM 1068 C GLY A 72 -11.774 2.094 -2.461 1.00 0.00 C ATOM 1069 O GLY A 72 -12.578 2.891 -2.945 1.00 0.00 O ATOM 0 H GLY A 72 -8.628 1.347 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.513 2.095 -4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.502 0.579 -3.345 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.852 1.601 -1.220 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.931 1.517 -0.223 1.00 0.00 C ATOM 1075 C ARG A 73 -12.608 0.267 0.625 1.00 0.00 C ATOM 1076 O ARG A 73 -11.566 -0.353 0.399 1.00 0.00 O ATOM 1077 CB ARG A 73 -14.359 1.498 -0.845 1.00 0.00 C ATOM 1078 CG ARG A 73 -15.093 2.851 -0.727 1.00 0.00 C ATOM 1079 CD ARG A 73 -16.554 2.752 -1.209 1.00 0.00 C ATOM 1080 NE ARG A 73 -17.318 3.999 -0.967 1.00 0.00 N ATOM 1081 CZ ARG A 73 -17.947 4.356 0.167 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -18.080 3.499 1.173 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -18.453 5.577 0.289 1.00 0.00 N ATOM 0 H ARG A 73 -11.012 1.179 -0.825 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.961 2.414 0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.286 1.222 -1.897 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.952 0.727 -0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.074 3.186 0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.566 3.603 -1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.567 2.523 -2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.046 1.924 -0.699 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.373 4.657 -1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.702 2.555 1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.560 3.785 2.027 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.365 6.244 -0.477 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.930 5.848 1.149 1.00 0.00 H new ATOM 1097 N ASN A 74 -13.471 -0.072 1.591 1.00 0.00 N ATOM 1098 CA ASN A 74 -13.447 -1.229 2.504 1.00 0.00 C ATOM 1099 C ASN A 74 -12.066 -1.838 2.789 1.00 0.00 C ATOM 1100 O ASN A 74 -11.837 -3.031 2.573 1.00 0.00 O ATOM 1101 CB ASN A 74 -14.456 -2.309 2.066 1.00 0.00 C ATOM 1102 CG ASN A 74 -14.640 -3.378 3.138 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -14.389 -4.562 2.915 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -15.048 -2.992 4.334 1.00 0.00 N ATOM 0 H ASN A 74 -14.286 0.514 1.773 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.752 -0.812 3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.417 -1.842 1.849 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.112 -2.775 1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.157 -3.677 5.081 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.254 -2.009 4.510 1.00 0.00 H new ATOM 1111 N ALA A 75 -11.141 -1.042 3.328 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.857 -1.554 3.799 1.00 0.00 C ATOM 1113 C ALA A 75 -9.222 -0.700 4.891 1.00 0.00 C ATOM 1114 O ALA A 75 -8.466 -1.228 5.701 1.00 0.00 O ATOM 1115 CB ALA A 75 -8.890 -1.652 2.619 1.00 0.00 C ATOM 0 H ALA A 75 -11.260 -0.036 3.449 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.053 -2.533 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.930 -2.034 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.299 -2.328 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.750 -0.664 2.180 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.480 0.610 4.910 1.00 0.00 N ATOM 1122 CA PHE A 76 -8.756 1.556 5.755 1.00 0.00 C ATOM 1123 C PHE A 76 -8.914 1.250 7.239 1.00 0.00 C ATOM 1124 O PHE A 76 -7.970 1.441 7.996 1.00 0.00 O ATOM 1125 CB PHE A 76 -9.224 2.966 5.403 1.00 0.00 C ATOM 1126 CG PHE A 76 -8.834 4.080 6.358 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -7.581 4.717 6.260 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -9.767 4.533 7.308 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -7.299 5.854 7.042 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -9.477 5.653 8.101 1.00 0.00 C ATOM 1131 CZ PHE A 76 -8.257 6.336 7.952 1.00 0.00 C ATOM 0 H PHE A 76 -10.202 1.044 4.335 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.687 1.468 5.560 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.836 3.215 4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.311 2.952 5.324 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.834 4.332 5.582 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -10.709 4.017 7.427 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.348 6.355 6.943 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.196 5.993 8.831 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.057 7.225 8.532 1.00 0.00 H new ATOM 1141 N GLU A 77 -10.073 0.744 7.647 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.324 0.374 9.034 1.00 0.00 C ATOM 1143 C GLU A 77 -9.529 -0.874 9.416 1.00 0.00 C ATOM 1144 O GLU A 77 -9.074 -0.999 10.551 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.816 0.118 9.246 1.00 0.00 C ATOM 1146 CG GLU A 77 -12.678 1.302 8.792 1.00 0.00 C ATOM 1147 CD GLU A 77 -14.115 1.104 9.254 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -14.771 0.123 8.819 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -14.571 1.903 10.095 1.00 0.00 O ATOM 0 H GLU A 77 -10.864 0.579 7.025 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.004 1.199 9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.111 -0.776 8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.002 -0.081 10.301 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.280 2.231 9.201 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.645 1.392 7.706 1.00 0.00 H new ATOM 1156 N THR A 78 -9.337 -1.794 8.472 1.00 0.00 N ATOM 1157 CA THR A 78 -8.669 -3.062 8.717 1.00 0.00 C ATOM 1158 C THR A 78 -7.150 -2.887 8.606 1.00 0.00 C ATOM 1159 O THR A 78 -6.398 -3.733 9.083 1.00 0.00 O ATOM 1160 CB THR A 78 -9.205 -4.121 7.733 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.562 -3.870 7.390 1.00 0.00 O ATOM 1162 CG2 THR A 78 -9.142 -5.519 8.351 1.00 0.00 C ATOM 0 H THR A 78 -9.646 -1.675 7.507 1.00 0.00 H new ATOM 0 HA THR A 78 -8.881 -3.407 9.729 1.00 0.00 H new ATOM 0 HB THR A 78 -8.577 -4.065 6.844 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.873 -4.556 6.764 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.525 -6.249 7.638 1.00 0.00 H new ATOM 0 HG22 THR A 78 -8.108 -5.761 8.598 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.747 -5.544 9.257 1.00 0.00 H new ATOM 1170 N LEU A 79 -6.700 -1.782 7.996 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.306 -1.370 7.978 1.00 0.00 C ATOM 1172 C LEU A 79 -4.905 -1.065 9.412 1.00 0.00 C ATOM 1173 O LEU A 79 -4.117 -1.773 10.021 1.00 0.00 O ATOM 1174 CB LEU A 79 -5.094 -0.168 7.021 1.00 0.00 C ATOM 1175 CG LEU A 79 -5.127 -0.588 5.532 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -5.421 0.562 4.545 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.792 -1.246 5.181 1.00 0.00 C ATOM 0 H LEU A 79 -7.315 -1.142 7.493 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.666 -2.163 7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.867 0.579 7.203 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.137 0.304 7.242 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.960 -1.282 5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.425 0.175 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.395 0.996 4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.651 1.328 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.799 -1.548 4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.982 -0.537 5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.642 -2.123 5.810 1.00 0.00 H new ATOM 1189 N LYS A 80 -5.485 -0.024 9.984 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.201 0.400 11.343 1.00 0.00 C ATOM 1191 C LYS A 80 -5.514 -0.633 12.422 1.00 0.00 C ATOM 1192 O LYS A 80 -4.830 -0.646 13.441 1.00 0.00 O ATOM 1193 CB LYS A 80 -5.921 1.711 11.584 1.00 0.00 C ATOM 1194 CG LYS A 80 -7.411 1.787 11.185 1.00 0.00 C ATOM 1195 CD LYS A 80 -7.885 3.176 10.713 1.00 0.00 C ATOM 1196 CE LYS A 80 -6.923 3.838 9.714 1.00 0.00 C ATOM 1197 NZ LYS A 80 -5.958 4.749 10.384 1.00 0.00 N ATOM 0 H LYS A 80 -6.176 0.558 9.510 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.122 0.528 11.429 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.844 1.948 12.645 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.387 2.493 11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.596 1.066 10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.017 1.483 12.038 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.868 3.080 10.251 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.002 3.826 11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.376 3.066 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.497 4.398 8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.039 5.702 9.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.168 4.790 11.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.991 4.394 10.244 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.462 -1.533 12.177 1.00 0.00 N ATOM 1212 CA ALA A 81 -6.683 -2.713 13.011 1.00 0.00 C ATOM 1213 C ALA A 81 -5.398 -3.529 13.222 1.00 0.00 C ATOM 1214 O ALA A 81 -5.233 -4.133 14.283 1.00 0.00 O ATOM 1215 CB ALA A 81 -7.773 -3.601 12.402 1.00 0.00 C ATOM 0 H ALA A 81 -7.104 -1.464 11.388 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.008 -2.356 13.988 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.926 -4.475 13.035 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.703 -3.038 12.331 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.466 -3.923 11.407 1.00 0.00 H new ATOM 1221 N ALA A 82 -4.479 -3.535 12.248 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.165 -4.155 12.363 1.00 0.00 C ATOM 1223 C ALA A 82 -2.063 -3.084 12.411 1.00 0.00 C ATOM 1224 O ALA A 82 -0.964 -3.291 11.900 1.00 0.00 O ATOM 1225 CB ALA A 82 -2.994 -5.068 11.140 1.00 0.00 C ATOM 0 H ALA A 82 -4.638 -3.098 11.340 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.085 -4.731 13.285 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.020 -5.556 11.183 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.779 -5.824 11.138 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.062 -4.473 10.229 1.00 0.00 H new ATOM 1231 N GLY A 83 -2.314 -1.957 13.075 1.00 0.00 N ATOM 1232 CA GLY A 83 -1.390 -0.842 13.241 1.00 0.00 C ATOM 1233 C GLY A 83 -0.715 -0.317 11.975 1.00 0.00 C ATOM 1234 O GLY A 83 0.378 0.244 12.053 1.00 0.00 O ATOM 0 H GLY A 83 -3.210 -1.791 13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.931 -0.018 13.705 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.612 -1.146 13.941 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.340 -0.467 10.810 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.674 -0.228 9.539 1.00 0.00 C ATOM 1240 C VAL A 84 -0.632 1.270 9.270 1.00 0.00 C ATOM 1241 O VAL A 84 -1.672 1.915 9.081 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.366 -1.046 8.433 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.664 -0.939 7.075 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.397 -2.520 8.834 1.00 0.00 C ATOM 0 H VAL A 84 -2.315 -0.755 10.723 1.00 0.00 H new ATOM 0 HA VAL A 84 0.361 -0.567 9.564 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.370 -0.635 8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.201 -1.538 6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.650 0.103 6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.359 -1.305 7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.887 -3.100 8.052 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.378 -2.882 8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.949 -2.632 9.767 1.00 0.00 H new ATOM 1254 N LYS A 85 0.583 1.827 9.263 1.00 0.00 N ATOM 1255 CA LYS A 85 0.788 3.241 8.998 1.00 0.00 C ATOM 1256 C LYS A 85 0.720 3.484 7.483 1.00 0.00 C ATOM 1257 O LYS A 85 1.664 3.165 6.761 1.00 0.00 O ATOM 1258 CB LYS A 85 2.100 3.737 9.646 1.00 0.00 C ATOM 1259 CG LYS A 85 1.851 4.750 10.778 1.00 0.00 C ATOM 1260 CD LYS A 85 3.174 5.303 11.330 1.00 0.00 C ATOM 1261 CE LYS A 85 2.903 6.327 12.443 1.00 0.00 C ATOM 1262 NZ LYS A 85 4.066 7.197 12.724 1.00 0.00 N ATOM 0 H LYS A 85 1.443 1.308 9.441 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.005 3.831 9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.652 2.884 10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.728 4.197 8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.238 5.571 10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.291 4.271 11.581 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.783 4.487 11.718 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.743 5.771 10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.053 6.947 12.159 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.623 5.799 13.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.100 7.414 13.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.941 6.708 12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.976 8.082 12.184 1.00 0.00 H new ATOM 1276 N VAL A 86 -0.389 4.025 6.984 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.657 4.284 5.573 1.00 0.00 C ATOM 1278 C VAL A 86 -0.209 5.711 5.242 1.00 0.00 C ATOM 1279 O VAL A 86 -0.815 6.686 5.689 1.00 0.00 O ATOM 1280 CB VAL A 86 -2.154 4.078 5.288 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.385 4.186 3.774 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.634 2.718 5.825 1.00 0.00 C ATOM 0 H VAL A 86 -1.164 4.309 7.584 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.101 3.591 4.941 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.733 4.847 5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.443 4.042 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.074 5.172 3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.802 3.421 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.696 2.597 5.611 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.073 1.918 5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.474 2.675 6.902 1.00 0.00 H new ATOM 1292 N TYR A 87 0.862 5.841 4.469 1.00 0.00 N ATOM 1293 CA TYR A 87 1.309 7.087 3.864 1.00 0.00 C ATOM 1294 C TYR A 87 0.508 7.418 2.617 1.00 0.00 C ATOM 1295 O TYR A 87 -0.098 6.536 2.023 1.00 0.00 O ATOM 1296 CB TYR A 87 2.801 6.956 3.500 1.00 0.00 C ATOM 1297 CG TYR A 87 3.715 7.357 4.634 1.00 0.00 C ATOM 1298 CD1 TYR A 87 3.940 6.500 5.726 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.315 8.621 4.603 1.00 0.00 C ATOM 1300 CE1 TYR A 87 4.781 6.926 6.777 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.178 9.037 5.622 1.00 0.00 C ATOM 1302 CZ TYR A 87 5.446 8.176 6.705 1.00 0.00 C ATOM 1303 OH TYR A 87 6.358 8.525 7.656 1.00 0.00 O ATOM 0 H TYR A 87 1.465 5.051 4.238 1.00 0.00 H new ATOM 0 HA TYR A 87 1.160 7.895 4.581 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.012 5.925 3.216 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.014 7.577 2.630 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.474 5.526 5.760 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.108 9.287 3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.919 6.295 7.642 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.637 10.014 5.579 1.00 0.00 H new ATOM 0 HH TYR A 87 6.719 9.413 7.453 1.00 0.00 H new ATOM 1313 N ARG A 88 0.566 8.675 2.193 1.00 0.00 N ATOM 1314 CA ARG A 88 0.236 9.154 0.860 1.00 0.00 C ATOM 1315 C ARG A 88 1.445 8.848 -0.025 1.00 0.00 C ATOM 1316 O ARG A 88 2.565 8.841 0.472 1.00 0.00 O ATOM 1317 CB ARG A 88 0.046 10.684 0.969 1.00 0.00 C ATOM 1318 CG ARG A 88 -0.367 11.448 -0.302 1.00 0.00 C ATOM 1319 CD ARG A 88 -1.862 11.776 -0.352 1.00 0.00 C ATOM 1320 NE ARG A 88 -2.177 12.540 -1.567 1.00 0.00 N ATOM 1321 CZ ARG A 88 -3.177 13.399 -1.772 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -4.060 13.657 -0.809 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -3.304 13.996 -2.951 1.00 0.00 N ATOM 0 H ARG A 88 0.863 9.431 2.810 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.662 8.692 0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.707 10.874 1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.981 11.113 1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.204 12.375 -0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.103 10.854 -1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.444 10.855 -0.333 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.145 12.350 0.530 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.549 12.395 -2.357 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.976 13.196 0.097 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.820 14.316 -0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.638 13.798 -3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.068 14.653 -3.110 1.00 0.00 H new ATOM 1337 N PHE A 89 1.238 8.661 -1.323 1.00 0.00 N ATOM 1338 CA PHE A 89 2.259 8.878 -2.349 1.00 0.00 C ATOM 1339 C PHE A 89 1.609 9.723 -3.459 1.00 0.00 C ATOM 1340 O PHE A 89 0.376 9.782 -3.511 1.00 0.00 O ATOM 1341 CB PHE A 89 2.829 7.519 -2.814 1.00 0.00 C ATOM 1342 CG PHE A 89 2.474 7.145 -4.245 1.00 0.00 C ATOM 1343 CD1 PHE A 89 1.134 6.804 -4.518 1.00 0.00 C ATOM 1344 CD2 PHE A 89 3.404 7.201 -5.308 1.00 0.00 C ATOM 1345 CE1 PHE A 89 0.681 6.640 -5.837 1.00 0.00 C ATOM 1346 CE2 PHE A 89 2.941 7.005 -6.615 1.00 0.00 C ATOM 1347 CZ PHE A 89 1.587 6.763 -6.897 1.00 0.00 C ATOM 0 H PHE A 89 0.343 8.350 -1.701 1.00 0.00 H new ATOM 0 HA PHE A 89 3.124 9.429 -1.979 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.914 7.541 -2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.465 6.738 -2.146 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.444 6.666 -3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.450 7.391 -5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.358 6.421 -6.032 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.647 7.041 -7.431 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.249 6.673 -7.919 1.00 0.00 H new ATOM 1357 N GLU A 90 2.361 10.348 -4.367 1.00 0.00 N ATOM 1358 CA GLU A 90 1.781 11.134 -5.458 1.00 0.00 C ATOM 1359 C GLU A 90 2.746 11.132 -6.653 1.00 0.00 C ATOM 1360 O GLU A 90 3.672 11.940 -6.717 1.00 0.00 O ATOM 1361 CB GLU A 90 1.429 12.551 -4.954 1.00 0.00 C ATOM 1362 CG GLU A 90 0.448 13.306 -5.869 1.00 0.00 C ATOM 1363 CD GLU A 90 -0.074 14.599 -5.215 1.00 0.00 C ATOM 1364 OE1 GLU A 90 0.597 15.645 -5.365 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -1.146 14.600 -4.557 1.00 0.00 O ATOM 0 H GLU A 90 3.381 10.324 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 90 0.847 10.689 -5.802 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.997 12.475 -3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.346 13.132 -4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.944 13.550 -6.809 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.394 12.657 -6.111 1.00 0.00 H new ATOM 1372 N GLY A 91 2.564 10.186 -7.578 1.00 0.00 N ATOM 1373 CA GLY A 91 3.195 10.179 -8.896 1.00 0.00 C ATOM 1374 C GLY A 91 4.600 9.585 -8.954 1.00 0.00 C ATOM 1375 O GLY A 91 5.580 10.324 -8.964 1.00 0.00 O ATOM 0 H GLY A 91 1.956 9.382 -7.424 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.556 9.622 -9.581 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.238 11.204 -9.263 1.00 0.00 H new ATOM 1379 N GLY A 92 4.722 8.267 -9.120 1.00 0.00 N ATOM 1380 CA GLY A 92 5.992 7.554 -9.065 1.00 0.00 C ATOM 1381 C GLY A 92 5.839 6.072 -9.396 1.00 0.00 C ATOM 1382 O GLY A 92 4.739 5.524 -9.291 1.00 0.00 O ATOM 0 H GLY A 92 3.924 7.657 -9.300 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.693 8.010 -9.765 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.422 7.659 -8.069 1.00 0.00 H new ATOM 1386 N THR A 93 6.934 5.415 -9.777 1.00 0.00 N ATOM 1387 CA THR A 93 7.013 3.968 -9.844 1.00 0.00 C ATOM 1388 C THR A 93 7.319 3.408 -8.453 1.00 0.00 C ATOM 1389 O THR A 93 7.538 4.172 -7.516 1.00 0.00 O ATOM 1390 CB THR A 93 8.054 3.551 -10.891 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.364 3.998 -10.597 1.00 0.00 O ATOM 1392 CG2 THR A 93 7.652 3.995 -12.297 1.00 0.00 C ATOM 0 H THR A 93 7.798 5.884 -10.050 1.00 0.00 H new ATOM 0 HA THR A 93 6.057 3.551 -10.160 1.00 0.00 H new ATOM 0 HB THR A 93 8.074 2.462 -10.854 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.999 3.576 -11.212 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.415 3.681 -13.010 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.698 3.541 -12.563 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.557 5.081 -12.322 1.00 0.00 H new ATOM 1400 N VAL A 94 7.283 2.085 -8.270 1.00 0.00 N ATOM 1401 CA VAL A 94 7.458 1.467 -6.961 1.00 0.00 C ATOM 1402 C VAL A 94 8.640 2.041 -6.173 1.00 0.00 C ATOM 1403 O VAL A 94 8.453 2.297 -4.989 1.00 0.00 O ATOM 1404 CB VAL A 94 7.454 -0.064 -7.091 1.00 0.00 C ATOM 1405 CG1 VAL A 94 7.744 -0.741 -5.754 1.00 0.00 C ATOM 1406 CG2 VAL A 94 6.076 -0.516 -7.590 1.00 0.00 C ATOM 0 H VAL A 94 7.132 1.417 -9.026 1.00 0.00 H new ATOM 0 HA VAL A 94 6.600 1.729 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 94 8.236 -0.350 -7.795 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.733 -1.823 -5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.724 -0.429 -5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.982 -0.455 -5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.062 -1.602 -7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.311 -0.205 -6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.874 -0.063 -8.561 1.00 0.00 H new ATOM 1416 N GLN A 95 9.805 2.289 -6.780 1.00 0.00 N ATOM 1417 CA GLN A 95 10.939 2.866 -6.050 1.00 0.00 C ATOM 1418 C GLN A 95 10.676 4.250 -5.464 1.00 0.00 C ATOM 1419 O GLN A 95 11.169 4.546 -4.384 1.00 0.00 O ATOM 1420 CB GLN A 95 12.183 2.942 -6.939 1.00 0.00 C ATOM 1421 CG GLN A 95 13.470 2.529 -6.198 1.00 0.00 C ATOM 1422 CD GLN A 95 14.033 3.582 -5.249 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.528 4.607 -5.695 1.00 0.00 O ATOM 1424 NE2 GLN A 95 14.080 3.333 -3.949 1.00 0.00 N ATOM 0 H GLN A 95 9.987 2.101 -7.766 1.00 0.00 H new ATOM 0 HA GLN A 95 11.099 2.187 -5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.045 2.296 -7.806 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.295 3.959 -7.314 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.269 1.620 -5.631 1.00 0.00 H new ATOM 0 HG3 GLN A 95 14.233 2.282 -6.936 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.667 2.477 -3.578 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.530 3.997 -3.319 1.00 0.00 H new ATOM 1433 N GLU A 96 9.906 5.084 -6.146 1.00 0.00 N ATOM 1434 CA GLU A 96 9.628 6.458 -5.772 1.00 0.00 C ATOM 1435 C GLU A 96 8.857 6.445 -4.474 1.00 0.00 C ATOM 1436 O GLU A 96 9.220 7.165 -3.563 1.00 0.00 O ATOM 1437 CB GLU A 96 8.743 7.110 -6.832 1.00 0.00 C ATOM 1438 CG GLU A 96 9.431 7.375 -8.173 1.00 0.00 C ATOM 1439 CD GLU A 96 10.028 8.775 -8.272 1.00 0.00 C ATOM 1440 OE1 GLU A 96 9.259 9.750 -8.132 1.00 0.00 O ATOM 1441 OE2 GLU A 96 11.219 8.906 -8.632 1.00 0.00 O ATOM 0 H GLU A 96 9.440 4.808 -7.010 1.00 0.00 H new ATOM 0 HA GLU A 96 10.564 7.009 -5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.877 6.471 -7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.368 8.055 -6.440 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.221 6.638 -8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.710 7.236 -8.978 1.00 0.00 H new ATOM 1448 N ALA A 97 7.838 5.588 -4.349 1.00 0.00 N ATOM 1449 CA ALA A 97 7.134 5.405 -3.098 1.00 0.00 C ATOM 1450 C ALA A 97 8.087 5.159 -1.914 1.00 0.00 C ATOM 1451 O ALA A 97 7.750 5.512 -0.790 1.00 0.00 O ATOM 1452 CB ALA A 97 6.143 4.253 -3.308 1.00 0.00 C ATOM 0 H ALA A 97 7.488 5.010 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 97 6.600 6.316 -2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.587 4.079 -2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.448 4.512 -4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.688 3.349 -3.580 1.00 0.00 H new ATOM 1458 N ILE A 98 9.258 4.567 -2.142 1.00 0.00 N ATOM 1459 CA ILE A 98 10.223 4.190 -1.114 1.00 0.00 C ATOM 1460 C ILE A 98 11.142 5.363 -0.906 1.00 0.00 C ATOM 1461 O ILE A 98 11.154 5.876 0.195 1.00 0.00 O ATOM 1462 CB ILE A 98 11.060 2.958 -1.518 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.259 1.980 -2.358 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.687 2.292 -0.279 1.00 0.00 C ATOM 1465 CD1 ILE A 98 8.970 1.482 -1.710 1.00 0.00 C ATOM 0 H ILE A 98 9.571 4.328 -3.083 1.00 0.00 H new ATOM 0 HA ILE A 98 9.683 3.927 -0.205 1.00 0.00 H new ATOM 0 HB ILE A 98 11.878 3.302 -2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.011 2.456 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.889 1.120 -2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.272 1.426 -0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.336 3.006 0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 98 10.897 1.972 0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.468 0.789 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.206 0.972 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.315 2.329 -1.506 1.00 0.00 H new ATOM 1477 N ASP A 99 11.866 5.778 -1.944 1.00 0.00 N ATOM 1478 CA ASP A 99 12.815 6.885 -1.979 1.00 0.00 C ATOM 1479 C ASP A 99 12.171 8.123 -1.369 1.00 0.00 C ATOM 1480 O ASP A 99 12.759 8.810 -0.533 1.00 0.00 O ATOM 1481 CB ASP A 99 13.204 7.095 -3.450 1.00 0.00 C ATOM 1482 CG ASP A 99 14.232 8.207 -3.686 1.00 0.00 C ATOM 1483 OD1 ASP A 99 15.291 8.250 -3.016 1.00 0.00 O ATOM 1484 OD2 ASP A 99 13.980 9.003 -4.621 1.00 0.00 O ATOM 0 H ASP A 99 11.798 5.313 -2.849 1.00 0.00 H new ATOM 0 HA ASP A 99 13.712 6.677 -1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.603 6.160 -3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.304 7.323 -4.021 1.00 0.00 H new ATOM 1489 N ALA A 100 10.896 8.336 -1.700 1.00 0.00 N ATOM 1490 CA ALA A 100 10.141 9.462 -1.181 1.00 0.00 C ATOM 1491 C ALA A 100 9.919 9.286 0.324 1.00 0.00 C ATOM 1492 O ALA A 100 10.259 10.161 1.112 1.00 0.00 O ATOM 1493 CB ALA A 100 8.827 9.592 -1.952 1.00 0.00 C ATOM 0 H ALA A 100 10.367 7.734 -2.331 1.00 0.00 H new ATOM 0 HA ALA A 100 10.698 10.389 -1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.259 10.437 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.040 9.753 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.244 8.678 -1.834 1.00 0.00 H new ATOM 1499 N PHE A 101 9.344 8.160 0.742 1.00 0.00 N ATOM 1500 CA PHE A 101 9.059 7.834 2.138 1.00 0.00 C ATOM 1501 C PHE A 101 10.326 7.847 3.000 1.00 0.00 C ATOM 1502 O PHE A 101 10.327 8.411 4.098 1.00 0.00 O ATOM 1503 CB PHE A 101 8.379 6.458 2.155 1.00 0.00 C ATOM 1504 CG PHE A 101 8.410 5.681 3.448 1.00 0.00 C ATOM 1505 CD1 PHE A 101 7.476 5.928 4.471 1.00 0.00 C ATOM 1506 CD2 PHE A 101 9.362 4.658 3.597 1.00 0.00 C ATOM 1507 CE1 PHE A 101 7.499 5.146 5.641 1.00 0.00 C ATOM 1508 CE2 PHE A 101 9.390 3.899 4.773 1.00 0.00 C ATOM 1509 CZ PHE A 101 8.452 4.130 5.793 1.00 0.00 C ATOM 0 H PHE A 101 9.054 7.425 0.097 1.00 0.00 H new ATOM 0 HA PHE A 101 8.402 8.589 2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.336 6.595 1.870 1.00 0.00 H new ATOM 0 HB3 PHE A 101 8.843 5.844 1.383 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.744 6.714 4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 101 10.070 4.458 2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 101 6.779 5.330 6.425 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.138 3.130 4.897 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.465 3.528 6.689 1.00 0.00 H new ATOM 1519 N SER A 102 11.386 7.201 2.523 1.00 0.00 N ATOM 1520 CA SER A 102 12.613 6.931 3.240 1.00 0.00 C ATOM 1521 C SER A 102 13.372 8.218 3.492 1.00 0.00 C ATOM 1522 O SER A 102 13.993 8.349 4.546 1.00 0.00 O ATOM 1523 CB SER A 102 13.449 5.913 2.452 1.00 0.00 C ATOM 1524 OG SER A 102 13.857 6.324 1.162 1.00 0.00 O ATOM 0 H SER A 102 11.405 6.834 1.571 1.00 0.00 H new ATOM 0 HA SER A 102 12.385 6.500 4.215 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.338 5.671 3.035 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.872 4.993 2.355 1.00 0.00 H new ATOM 0 HG SER A 102 13.074 6.385 0.575 1.00 0.00 H new ATOM 1530 N GLU A 103 13.283 9.174 2.564 1.00 0.00 N ATOM 1531 CA GLU A 103 13.916 10.471 2.714 1.00 0.00 C ATOM 1532 C GLU A 103 12.834 11.523 2.981 1.00 0.00 C ATOM 1533 O GLU A 103 12.957 12.680 2.567 1.00 0.00 O ATOM 1534 CB GLU A 103 14.737 10.772 1.451 1.00 0.00 C ATOM 1535 CG GLU A 103 15.637 9.608 0.986 1.00 0.00 C ATOM 1536 CD GLU A 103 16.987 10.136 0.500 1.00 0.00 C ATOM 1537 OE1 GLU A 103 17.008 10.929 -0.470 1.00 0.00 O ATOM 1538 OE2 GLU A 103 18.033 9.767 1.085 1.00 0.00 O ATOM 0 H GLU A 103 12.768 9.063 1.690 1.00 0.00 H new ATOM 0 HA GLU A 103 14.602 10.484 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.055 11.034 0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.361 11.646 1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.788 8.907 1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.145 9.058 0.184 1.00 0.00 H new ATOM 1545 N GLY A 104 11.820 11.131 3.762 1.00 0.00 N ATOM 1546 CA GLY A 104 10.819 11.980 4.383 1.00 0.00 C ATOM 1547 C GLY A 104 10.173 13.005 3.455 1.00 0.00 C ATOM 1548 O GLY A 104 10.020 14.167 3.833 1.00 0.00 O ATOM 0 H GLY A 104 11.675 10.146 3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.036 11.347 4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.280 12.508 5.217 1.00 0.00 H new ATOM 1552 N ARG A 105 9.789 12.611 2.243 1.00 0.00 N ATOM 1553 CA ARG A 105 8.997 13.423 1.325 1.00 0.00 C ATOM 1554 C ARG A 105 7.667 12.743 1.024 1.00 0.00 C ATOM 1555 O ARG A 105 7.177 12.857 -0.096 1.00 0.00 O ATOM 1556 CB ARG A 105 9.745 13.614 -0.006 1.00 0.00 C ATOM 1557 CG ARG A 105 11.116 14.292 0.084 1.00 0.00 C ATOM 1558 CD ARG A 105 11.704 14.579 -1.307 1.00 0.00 C ATOM 1559 NE ARG A 105 11.432 15.949 -1.781 1.00 0.00 N ATOM 1560 CZ ARG A 105 10.376 16.408 -2.465 1.00 0.00 C ATOM 1561 NH1 ARG A 105 9.384 15.607 -2.834 1.00 0.00 N ATOM 1562 NH2 ARG A 105 10.329 17.707 -2.736 1.00 0.00 N ATOM 0 H ARG A 105 10.027 11.695 1.863 1.00 0.00 H new ATOM 0 HA ARG A 105 8.826 14.388 1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 105 9.875 12.636 -0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.114 14.202 -0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.024 15.225 0.639 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.801 13.654 0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 105 12.782 14.418 -1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.294 13.866 -2.022 1.00 0.00 H new ATOM 0 HE ARG A 105 12.146 16.642 -1.557 1.00 0.00 H new ATOM 0 HH11 ARG A 105 9.414 14.615 -2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 105 8.591 15.983 -3.354 1.00 0.00 H new ATOM 0 HH21 ARG A 105 11.082 18.320 -2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.540 18.091 -3.255 1.00 0.00 H new ATOM 1576 N LEU A 106 7.028 12.097 1.998 1.00 0.00 N ATOM 1577 CA LEU A 106 5.654 11.643 1.848 1.00 0.00 C ATOM 1578 C LEU A 106 4.869 12.040 3.095 1.00 0.00 C ATOM 1579 O LEU A 106 5.452 12.431 4.110 1.00 0.00 O ATOM 1580 CB LEU A 106 5.584 10.120 1.636 1.00 0.00 C ATOM 1581 CG LEU A 106 6.086 9.570 0.291 1.00 0.00 C ATOM 1582 CD1 LEU A 106 5.723 8.084 0.201 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.478 10.239 -0.947 1.00 0.00 C ATOM 0 H LEU A 106 7.446 11.877 2.902 1.00 0.00 H new ATOM 0 HA LEU A 106 5.220 12.113 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.157 9.642 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.547 9.810 1.761 1.00 0.00 H new ATOM 0 HG LEU A 106 7.158 9.766 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.074 7.681 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.196 7.544 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.641 7.969 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.893 9.785 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.396 10.105 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.712 11.304 -0.937 1.00 0.00 H new ATOM 1595 N GLU A 107 3.548 11.884 3.059 1.00 0.00 N ATOM 1596 CA GLU A 107 2.644 12.366 4.097 1.00 0.00 C ATOM 1597 C GLU A 107 2.028 11.165 4.800 1.00 0.00 C ATOM 1598 O GLU A 107 1.764 10.161 4.149 1.00 0.00 O ATOM 1599 CB GLU A 107 1.515 13.201 3.482 1.00 0.00 C ATOM 1600 CG GLU A 107 1.960 14.175 2.384 1.00 0.00 C ATOM 1601 CD GLU A 107 0.784 15.024 1.915 1.00 0.00 C ATOM 1602 OE1 GLU A 107 0.120 15.664 2.773 1.00 0.00 O ATOM 1603 OE2 GLU A 107 0.487 15.049 0.698 1.00 0.00 O ATOM 0 H GLU A 107 3.068 11.410 2.293 1.00 0.00 H new ATOM 0 HA GLU A 107 3.205 12.985 4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.767 12.525 3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.028 13.768 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.754 14.820 2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.374 13.619 1.542 1.00 0.00 H new ATOM 1610 N GLU A 108 1.732 11.249 6.091 1.00 0.00 N ATOM 1611 CA GLU A 108 0.963 10.228 6.794 1.00 0.00 C ATOM 1612 C GLU A 108 -0.508 10.488 6.459 1.00 0.00 C ATOM 1613 O GLU A 108 -0.980 11.614 6.648 1.00 0.00 O ATOM 1614 CB GLU A 108 1.289 10.328 8.292 1.00 0.00 C ATOM 1615 CG GLU A 108 1.344 8.958 8.961 1.00 0.00 C ATOM 1616 CD GLU A 108 1.586 9.072 10.462 1.00 0.00 C ATOM 1617 OE1 GLU A 108 0.597 9.223 11.211 1.00 0.00 O ATOM 1618 OE2 GLU A 108 2.769 9.037 10.855 1.00 0.00 O ATOM 0 H GLU A 108 2.019 12.029 6.682 1.00 0.00 H new ATOM 0 HA GLU A 108 1.205 9.208 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.247 10.832 8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.536 10.942 8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.408 8.428 8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.138 8.364 8.509 1.00 0.00 H new ATOM 1625 N LEU A 109 -1.212 9.509 5.880 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.565 9.670 5.357 1.00 0.00 C ATOM 1627 C LEU A 109 -3.571 9.047 6.319 1.00 0.00 C ATOM 1628 O LEU A 109 -4.224 8.042 6.027 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.662 9.150 3.917 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.958 9.662 3.261 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -3.917 11.153 2.912 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -4.242 8.894 1.982 1.00 0.00 C ATOM 0 H LEU A 109 -0.846 8.564 5.762 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.817 10.729 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.797 9.482 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.648 8.060 3.913 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.742 9.506 4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.862 11.445 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.759 11.735 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.101 11.341 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.161 9.267 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.414 9.028 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.355 7.834 2.211 1.00 0.00 H new