USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 804 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 89 SER OG : rot 150:sc= -1.32 USER MOD Set 1.2: A 109 TYR OH : rot 15:sc= -1.13 USER MOD Set 2.1: A 88 MET CE :methyl 141:sc= -0.0668 (180deg=-1.11) USER MOD Set 2.2: A 104 ASN : amide:sc= -1.34 K(o=-1.4,f=-2.1!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00791 USER MOD Single : A 22 TYR OH : rot 90:sc= -1.48 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -135:sc= -2.13! (180deg=-6.19!) USER MOD Single : A 26 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.253) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= -0.158 (180deg=-1.69!) USER MOD Single : A 36 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.99) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.916 X(o=-0.92,f=-0.61) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 CYS SG : rot 180:sc= -0.779 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.9!) USER MOD Single : A 52 CYS SG : rot 180:sc= -1.13 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -8.37! C(o=-8.4!,f=-9.5!) USER MOD Single : A 61 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.31) USER MOD Single : A 62 SER OG : rot 180:sc= -0.603 USER MOD Single : A 65 ASN : amide:sc= -3.46! C(o=-3.5!,f=-9!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -156:sc= -0.0819 (180deg=-1.08) USER MOD Single : A 74 SER OG : rot -102:sc= -0.502 USER MOD Single : A 75 SER OG : rot 51:sc= -0.278 USER MOD Single : A 78 ASN : amide:sc= -2.2 K(o=-2.2,f=-4.4!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.395 USER MOD Single : A 83 GLN : amide:sc= 0.317 K(o=0.32,f=-0.45) USER MOD Single : A 90 LYS NZ :NH3+ 161:sc= -1.91! (180deg=-2.64!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 CYS SG : rot 180:sc= -0.161 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 11 9.581 18.610 3.782 1.00 0.00 N ATOM 121 CA ARG A 11 10.303 18.214 2.579 1.00 0.00 C ATOM 122 C ARG A 11 9.334 17.850 1.458 1.00 0.00 C ATOM 123 O ARG A 11 9.510 18.263 0.312 1.00 0.00 O ATOM 124 CB ARG A 11 11.223 17.029 2.878 1.00 0.00 C ATOM 125 CG ARG A 11 12.582 17.435 3.425 1.00 0.00 C ATOM 126 CD ARG A 11 13.568 17.729 2.306 1.00 0.00 C ATOM 127 NE ARG A 11 14.876 18.126 2.819 1.00 0.00 N ATOM 128 CZ ARG A 11 16.001 18.025 2.120 1.00 0.00 C ATOM 129 NH1 ARG A 11 15.977 17.544 0.885 1.00 0.00 N ATOM 130 NH2 ARG A 11 17.153 18.407 2.656 1.00 0.00 N ATOM 0 HA ARG A 11 10.907 19.061 2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.733 16.372 3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.366 16.452 1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.473 18.317 4.056 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.974 16.638 4.057 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.678 16.845 1.678 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.171 18.522 1.672 1.00 0.00 H new ATOM 0 HE ARG A 11 14.929 18.501 3.766 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.093 17.250 0.469 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.842 17.468 0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.175 18.779 3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 11 18.016 18.329 2.118 1.00 0.00 H new ATOM 144 N LEU A 12 8.311 17.073 1.797 1.00 0.00 N ATOM 145 CA LEU A 12 7.313 16.652 0.820 1.00 0.00 C ATOM 146 C LEU A 12 6.692 17.858 0.122 1.00 0.00 C ATOM 147 O LEU A 12 6.715 18.979 0.629 1.00 0.00 O ATOM 148 CB LEU A 12 6.222 15.824 1.500 1.00 0.00 C ATOM 149 CG LEU A 12 6.551 14.351 1.744 1.00 0.00 C ATOM 150 CD1 LEU A 12 6.476 13.565 0.444 1.00 0.00 C ATOM 151 CD2 LEU A 12 7.928 14.209 2.376 1.00 0.00 C ATOM 0 H LEU A 12 8.151 16.722 2.741 1.00 0.00 H new ATOM 0 HA LEU A 12 7.811 16.038 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.987 16.287 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.320 15.878 0.890 1.00 0.00 H new ATOM 0 HG LEU A 12 5.813 13.944 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.713 12.519 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.470 13.639 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.191 13.973 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.145 13.154 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.679 14.633 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.947 14.738 3.329 1.00 0.00 H new ATOM 163 N PRO A 13 6.121 17.623 -1.069 1.00 0.00 N ATOM 164 CA PRO A 13 5.480 18.677 -1.861 1.00 0.00 C ATOM 165 C PRO A 13 4.184 19.171 -1.227 1.00 0.00 C ATOM 166 O PRO A 13 3.130 18.558 -1.391 1.00 0.00 O ATOM 167 CB PRO A 13 5.193 17.991 -3.199 1.00 0.00 C ATOM 168 CG PRO A 13 5.097 16.541 -2.868 1.00 0.00 C ATOM 169 CD PRO A 13 6.057 16.311 -1.734 1.00 0.00 C ATOM 0 HA PRO A 13 6.110 19.562 -1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.267 18.358 -3.642 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.988 18.181 -3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.081 16.273 -2.579 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.356 15.926 -3.730 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.701 15.535 -1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.036 15.995 -2.094 1.00 0.00 H new ATOM 177 N GLU A 14 4.271 20.283 -0.504 1.00 0.00 N ATOM 178 CA GLU A 14 3.104 20.858 0.154 1.00 0.00 C ATOM 179 C GLU A 14 1.954 21.034 -0.833 1.00 0.00 C ATOM 180 O GLU A 14 0.784 21.045 -0.448 1.00 0.00 O ATOM 181 CB GLU A 14 3.459 22.207 0.785 1.00 0.00 C ATOM 182 CG GLU A 14 3.944 23.239 -0.219 1.00 0.00 C ATOM 183 CD GLU A 14 3.958 24.644 0.351 1.00 0.00 C ATOM 184 OE1 GLU A 14 2.937 25.055 0.941 1.00 0.00 O ATOM 185 OE2 GLU A 14 4.989 25.333 0.207 1.00 0.00 O ATOM 0 H GLU A 14 5.136 20.803 -0.359 1.00 0.00 H new ATOM 0 HA GLU A 14 2.786 20.170 0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.583 22.599 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.232 22.054 1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.948 22.975 -0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.302 23.214 -1.099 1.00 0.00 H new ATOM 192 N THR A 15 2.294 21.172 -2.111 1.00 0.00 N ATOM 193 CA THR A 15 1.292 21.349 -3.154 1.00 0.00 C ATOM 194 C THR A 15 0.612 20.028 -3.494 1.00 0.00 C ATOM 195 O THR A 15 -0.156 19.942 -4.452 1.00 0.00 O ATOM 196 CB THR A 15 1.913 21.938 -4.435 1.00 0.00 C ATOM 197 OG1 THR A 15 3.098 21.214 -4.783 1.00 0.00 O ATOM 198 CG2 THR A 15 2.248 23.410 -4.247 1.00 0.00 C ATOM 0 H THR A 15 3.257 21.164 -2.448 1.00 0.00 H new ATOM 0 HA THR A 15 0.550 22.046 -2.764 1.00 0.00 H new ATOM 0 HB THR A 15 1.184 21.848 -5.240 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.485 21.594 -5.599 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.685 23.804 -5.165 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.339 23.963 -4.012 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.961 23.519 -3.430 1.00 0.00 H new ATOM 206 N ILE A 16 0.899 19.000 -2.702 1.00 0.00 N ATOM 207 CA ILE A 16 0.313 17.683 -2.918 1.00 0.00 C ATOM 208 C ILE A 16 -0.100 17.041 -1.598 1.00 0.00 C ATOM 209 O ILE A 16 0.388 17.419 -0.533 1.00 0.00 O ATOM 210 CB ILE A 16 1.292 16.744 -3.648 1.00 0.00 C ATOM 211 CG1 ILE A 16 1.878 17.440 -4.878 1.00 0.00 C ATOM 212 CG2 ILE A 16 0.591 15.454 -4.047 1.00 0.00 C ATOM 213 CD1 ILE A 16 2.966 16.642 -5.563 1.00 0.00 C ATOM 0 H ILE A 16 1.534 19.054 -1.905 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.570 17.829 -3.540 1.00 0.00 H new ATOM 0 HB ILE A 16 2.109 16.496 -2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.077 17.634 -5.591 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.281 18.408 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.296 14.801 -4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.217 14.952 -3.155 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.243 15.683 -4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.335 17.196 -6.426 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.785 16.470 -4.865 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.563 15.684 -5.892 1.00 0.00 H new ATOM 225 N ASP A 17 -1.000 16.067 -1.676 1.00 0.00 N ATOM 226 CA ASP A 17 -1.476 15.370 -0.487 1.00 0.00 C ATOM 227 C ASP A 17 -1.277 13.864 -0.624 1.00 0.00 C ATOM 228 O ASP A 17 -1.979 13.201 -1.390 1.00 0.00 O ATOM 229 CB ASP A 17 -2.954 15.682 -0.245 1.00 0.00 C ATOM 230 CG ASP A 17 -3.431 15.206 1.113 1.00 0.00 C ATOM 231 OD1 ASP A 17 -2.969 15.761 2.132 1.00 0.00 O ATOM 232 OD2 ASP A 17 -4.266 14.279 1.158 1.00 0.00 O ATOM 0 H ASP A 17 -1.414 15.742 -2.550 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.894 15.719 0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.114 16.757 -0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.554 15.211 -1.023 1.00 0.00 H new ATOM 237 N LEU A 18 -0.317 13.329 0.122 1.00 0.00 N ATOM 238 CA LEU A 18 -0.024 11.900 0.083 1.00 0.00 C ATOM 239 C LEU A 18 -1.311 11.081 0.080 1.00 0.00 C ATOM 240 O LEU A 18 -1.470 10.160 -0.720 1.00 0.00 O ATOM 241 CB LEU A 18 0.843 11.504 1.279 1.00 0.00 C ATOM 242 CG LEU A 18 2.355 11.555 1.058 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.084 11.693 2.386 1.00 0.00 C ATOM 244 CD2 LEU A 18 2.827 10.315 0.314 1.00 0.00 C ATOM 0 H LEU A 18 0.272 13.863 0.761 1.00 0.00 H new ATOM 0 HA LEU A 18 0.521 11.691 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.596 12.159 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.574 10.491 1.578 1.00 0.00 H new ATOM 0 HG LEU A 18 2.585 12.429 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.159 11.728 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.768 12.611 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.848 10.839 3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.906 10.368 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.584 9.427 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.330 10.260 -0.654 1.00 0.00 H new ATOM 256 N GLY A 19 -2.228 11.424 0.979 1.00 0.00 N ATOM 257 CA GLY A 19 -3.490 10.712 1.062 1.00 0.00 C ATOM 258 C GLY A 19 -4.145 10.536 -0.293 1.00 0.00 C ATOM 259 O GLY A 19 -4.531 9.428 -0.664 1.00 0.00 O ATOM 0 H GLY A 19 -2.120 12.183 1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.323 9.733 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.167 11.254 1.722 1.00 0.00 H new ATOM 263 N ALA A 20 -4.273 11.632 -1.034 1.00 0.00 N ATOM 264 CA ALA A 20 -4.887 11.593 -2.356 1.00 0.00 C ATOM 265 C ALA A 20 -4.069 10.736 -3.316 1.00 0.00 C ATOM 266 O ALA A 20 -4.623 10.029 -4.159 1.00 0.00 O ATOM 267 CB ALA A 20 -5.043 13.003 -2.907 1.00 0.00 C ATOM 0 H ALA A 20 -3.960 12.558 -0.741 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.874 11.141 -2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.503 12.959 -3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.675 13.587 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.063 13.474 -2.984 1.00 0.00 H new ATOM 273 N LEU A 21 -2.749 10.803 -3.184 1.00 0.00 N ATOM 274 CA LEU A 21 -1.854 10.033 -4.040 1.00 0.00 C ATOM 275 C LEU A 21 -2.049 8.536 -3.826 1.00 0.00 C ATOM 276 O LEU A 21 -2.252 7.783 -4.779 1.00 0.00 O ATOM 277 CB LEU A 21 -0.398 10.414 -3.764 1.00 0.00 C ATOM 278 CG LEU A 21 0.637 9.865 -4.746 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.087 8.650 -5.478 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.057 10.942 -5.735 1.00 0.00 C ATOM 0 H LEU A 21 -2.275 11.383 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.094 10.267 -5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.323 11.501 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.137 10.071 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 21 1.517 9.555 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.838 8.273 -6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.162 7.872 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.809 8.933 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.794 10.534 -6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.185 11.283 -6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.493 11.782 -5.195 1.00 0.00 H new ATOM 292 N TYR A 22 -1.989 8.111 -2.569 1.00 0.00 N ATOM 293 CA TYR A 22 -2.159 6.703 -2.229 1.00 0.00 C ATOM 294 C TYR A 22 -3.427 6.139 -2.863 1.00 0.00 C ATOM 295 O TYR A 22 -3.475 4.971 -3.251 1.00 0.00 O ATOM 296 CB TYR A 22 -2.213 6.526 -0.710 1.00 0.00 C ATOM 297 CG TYR A 22 -2.816 5.210 -0.275 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.052 4.049 -0.246 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.149 5.126 0.107 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.598 2.844 0.151 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.703 3.925 0.506 1.00 0.00 C ATOM 302 CZ TYR A 22 -3.924 2.787 0.526 1.00 0.00 C ATOM 303 OH TYR A 22 -4.473 1.589 0.922 1.00 0.00 O ATOM 0 H TYR A 22 -1.824 8.721 -1.768 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.303 6.155 -2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.203 6.604 -0.307 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.792 7.342 -0.278 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.013 4.090 -0.539 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.763 6.015 0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.990 1.952 0.168 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.741 3.877 0.801 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.363 1.483 1.890 1.00 0.00 H new ATOM 313 N LEU A 23 -4.453 6.977 -2.965 1.00 0.00 N ATOM 314 CA LEU A 23 -5.723 6.564 -3.552 1.00 0.00 C ATOM 315 C LEU A 23 -5.551 6.207 -5.025 1.00 0.00 C ATOM 316 O LEU A 23 -6.115 5.224 -5.506 1.00 0.00 O ATOM 317 CB LEU A 23 -6.762 7.677 -3.403 1.00 0.00 C ATOM 318 CG LEU A 23 -7.203 7.996 -1.975 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.721 9.423 -1.882 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.265 7.010 -1.511 1.00 0.00 C ATOM 0 H LEU A 23 -4.430 7.946 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.070 5.678 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.358 8.586 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.644 7.403 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.338 7.902 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.030 9.632 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.931 10.116 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.573 9.545 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.567 7.253 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.131 7.071 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.859 5.999 -1.538 1.00 0.00 H new ATOM 332 N SER A 24 -4.766 7.011 -5.736 1.00 0.00 N ATOM 333 CA SER A 24 -4.521 6.781 -7.155 1.00 0.00 C ATOM 334 C SER A 24 -3.842 5.433 -7.377 1.00 0.00 C ATOM 335 O SER A 24 -3.971 4.829 -8.442 1.00 0.00 O ATOM 336 CB SER A 24 -3.656 7.903 -7.733 1.00 0.00 C ATOM 337 OG SER A 24 -4.449 9.014 -8.113 1.00 0.00 O ATOM 0 H SER A 24 -4.289 7.827 -5.352 1.00 0.00 H new ATOM 0 HA SER A 24 -5.482 6.773 -7.668 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.918 8.215 -6.994 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.105 7.533 -8.598 1.00 0.00 H new ATOM 0 HG SER A 24 -3.873 9.718 -8.478 1.00 0.00 H new ATOM 343 N MET A 25 -3.117 4.969 -6.364 1.00 0.00 N ATOM 344 CA MET A 25 -2.418 3.692 -6.448 1.00 0.00 C ATOM 345 C MET A 25 -3.371 2.532 -6.179 1.00 0.00 C ATOM 346 O MET A 25 -3.123 1.401 -6.599 1.00 0.00 O ATOM 347 CB MET A 25 -1.257 3.656 -5.452 1.00 0.00 C ATOM 348 CG MET A 25 -0.456 4.946 -5.406 1.00 0.00 C ATOM 349 SD MET A 25 0.918 4.869 -4.241 1.00 0.00 S ATOM 350 CE MET A 25 2.314 5.024 -5.352 1.00 0.00 C ATOM 0 H MET A 25 -2.998 5.458 -5.477 1.00 0.00 H new ATOM 0 HA MET A 25 -2.023 3.587 -7.459 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.649 3.446 -4.457 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.591 2.833 -5.713 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.071 5.166 -6.402 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.115 5.769 -5.130 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.074 4.289 -5.086 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.985 4.851 -6.377 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.734 6.026 -5.270 1.00 0.00 H new ATOM 360 N LYS A 26 -4.461 2.818 -5.476 1.00 0.00 N ATOM 361 CA LYS A 26 -5.452 1.799 -5.151 1.00 0.00 C ATOM 362 C LYS A 26 -6.291 1.446 -6.375 1.00 0.00 C ATOM 363 O LYS A 26 -6.879 0.367 -6.446 1.00 0.00 O ATOM 364 CB LYS A 26 -6.361 2.285 -4.019 1.00 0.00 C ATOM 365 CG LYS A 26 -5.659 2.383 -2.675 1.00 0.00 C ATOM 366 CD LYS A 26 -6.633 2.197 -1.523 1.00 0.00 C ATOM 367 CE LYS A 26 -7.550 3.401 -1.370 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.223 3.419 -0.041 1.00 0.00 N ATOM 0 H LYS A 26 -4.681 3.748 -5.120 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.923 0.904 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.763 3.263 -4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.209 1.606 -3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.876 1.627 -2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.172 3.354 -2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.231 1.302 -1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.079 2.040 -0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.972 4.316 -1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.303 3.387 -2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.512 4.391 0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.063 2.806 -0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.565 3.072 0.686 1.00 0.00 H new ATOM 382 N ASP A 27 -6.341 2.362 -7.336 1.00 0.00 N ATOM 383 CA ASP A 27 -7.106 2.146 -8.558 1.00 0.00 C ATOM 384 C ASP A 27 -6.703 0.835 -9.227 1.00 0.00 C ATOM 385 O ASP A 27 -5.588 0.348 -9.042 1.00 0.00 O ATOM 386 CB ASP A 27 -6.899 3.312 -9.527 1.00 0.00 C ATOM 387 CG ASP A 27 -8.067 3.489 -10.477 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.134 2.748 -11.481 1.00 0.00 O ATOM 389 OD2 ASP A 27 -8.915 4.368 -10.217 1.00 0.00 O ATOM 0 H ASP A 27 -5.861 3.261 -7.292 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.161 2.088 -8.291 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.754 4.231 -8.959 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.988 3.145 -10.102 1.00 0.00 H new ATOM 394 N THR A 28 -7.620 0.268 -10.005 1.00 0.00 N ATOM 395 CA THR A 28 -7.362 -0.987 -10.700 1.00 0.00 C ATOM 396 C THR A 28 -6.677 -0.744 -12.039 1.00 0.00 C ATOM 397 O THR A 28 -5.852 -1.544 -12.479 1.00 0.00 O ATOM 398 CB THR A 28 -8.664 -1.776 -10.937 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.367 -3.162 -11.139 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.413 -1.232 -12.144 1.00 0.00 C ATOM 0 H THR A 28 -8.548 0.658 -10.169 1.00 0.00 H new ATOM 0 HA THR A 28 -6.703 -1.573 -10.060 1.00 0.00 H new ATOM 0 HB THR A 28 -9.296 -1.665 -10.056 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.200 -3.657 -11.287 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.329 -1.804 -12.292 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.663 -0.185 -11.975 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.785 -1.317 -13.031 1.00 0.00 H new ATOM 408 N GLU A 29 -7.025 0.366 -12.684 1.00 0.00 N ATOM 409 CA GLU A 29 -6.442 0.713 -13.974 1.00 0.00 C ATOM 410 C GLU A 29 -5.523 1.924 -13.848 1.00 0.00 C ATOM 411 O GLU A 29 -4.630 2.130 -14.671 1.00 0.00 O ATOM 412 CB GLU A 29 -7.545 1.001 -14.996 1.00 0.00 C ATOM 413 CG GLU A 29 -8.727 1.761 -14.418 1.00 0.00 C ATOM 414 CD GLU A 29 -9.445 2.600 -15.457 1.00 0.00 C ATOM 415 OE1 GLU A 29 -8.901 3.652 -15.851 1.00 0.00 O ATOM 416 OE2 GLU A 29 -10.553 2.203 -15.876 1.00 0.00 O ATOM 0 H GLU A 29 -7.707 1.039 -12.334 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.851 -0.136 -14.317 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.123 1.575 -15.821 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.899 0.058 -15.412 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.430 1.053 -13.979 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.380 2.407 -13.612 1.00 0.00 H new ATOM 423 N LYS A 30 -5.747 2.725 -12.811 1.00 0.00 N ATOM 424 CA LYS A 30 -4.940 3.916 -12.575 1.00 0.00 C ATOM 425 C LYS A 30 -4.091 3.756 -11.317 1.00 0.00 C ATOM 426 O LYS A 30 -3.554 4.730 -10.792 1.00 0.00 O ATOM 427 CB LYS A 30 -5.838 5.148 -12.443 1.00 0.00 C ATOM 428 CG LYS A 30 -6.943 5.209 -13.484 1.00 0.00 C ATOM 429 CD LYS A 30 -6.474 5.901 -14.754 1.00 0.00 C ATOM 430 CE LYS A 30 -6.727 7.400 -14.698 1.00 0.00 C ATOM 431 NZ LYS A 30 -6.037 8.120 -15.803 1.00 0.00 N ATOM 0 H LYS A 30 -6.482 2.570 -12.120 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.275 4.049 -13.428 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.286 5.156 -11.449 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.224 6.045 -12.524 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.277 4.199 -13.721 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.802 5.741 -13.074 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.410 5.716 -14.899 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.991 5.475 -15.614 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.799 7.590 -14.754 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.384 7.791 -13.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.234 9.139 -15.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.012 7.960 -15.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.383 7.765 -16.718 1.00 0.00 H new ATOM 445 N GLY A 31 -3.973 2.520 -10.841 1.00 0.00 N ATOM 446 CA GLY A 31 -3.186 2.256 -9.650 1.00 0.00 C ATOM 447 C GLY A 31 -2.044 1.295 -9.912 1.00 0.00 C ATOM 448 O GLY A 31 -1.788 0.922 -11.057 1.00 0.00 O ATOM 0 H GLY A 31 -4.408 1.697 -11.258 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.786 3.195 -9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.832 1.845 -8.875 1.00 0.00 H new ATOM 452 N ILE A 32 -1.355 0.895 -8.848 1.00 0.00 N ATOM 453 CA ILE A 32 -0.233 -0.028 -8.969 1.00 0.00 C ATOM 454 C ILE A 32 -0.711 -1.476 -8.977 1.00 0.00 C ATOM 455 O ILE A 32 -1.471 -1.897 -8.104 1.00 0.00 O ATOM 456 CB ILE A 32 0.777 0.160 -7.821 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.345 1.580 -7.842 1.00 0.00 C ATOM 458 CG2 ILE A 32 1.895 -0.866 -7.926 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.117 1.941 -6.591 1.00 0.00 C ATOM 0 H ILE A 32 -1.554 1.195 -7.894 1.00 0.00 H new ATOM 0 HA ILE A 32 0.259 0.196 -9.916 1.00 0.00 H new ATOM 0 HB ILE A 32 0.261 0.009 -6.873 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.999 1.688 -8.707 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.527 2.288 -7.971 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.601 -0.720 -7.108 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.474 -1.870 -7.868 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.412 -0.744 -8.878 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.490 2.962 -6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.461 1.866 -5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.957 1.256 -6.471 1.00 0.00 H new ATOM 471 N LYS A 33 -0.260 -2.237 -9.969 1.00 0.00 N ATOM 472 CA LYS A 33 -0.638 -3.640 -10.092 1.00 0.00 C ATOM 473 C LYS A 33 0.127 -4.499 -9.090 1.00 0.00 C ATOM 474 O LYS A 33 1.193 -4.110 -8.613 1.00 0.00 O ATOM 475 CB LYS A 33 -0.373 -4.138 -11.514 1.00 0.00 C ATOM 476 CG LYS A 33 1.087 -4.057 -11.925 1.00 0.00 C ATOM 477 CD LYS A 33 1.432 -5.106 -12.969 1.00 0.00 C ATOM 478 CE LYS A 33 2.913 -5.084 -13.312 1.00 0.00 C ATOM 479 NZ LYS A 33 3.288 -6.202 -14.223 1.00 0.00 N ATOM 0 H LYS A 33 0.369 -1.905 -10.700 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.703 -3.724 -9.877 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.708 -5.172 -11.596 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.971 -3.553 -12.212 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.300 -3.064 -12.322 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.721 -4.193 -11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.158 -6.094 -12.598 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.846 -4.930 -13.871 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.163 -4.133 -13.782 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.499 -5.150 -12.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.016 -6.790 -13.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.449 -6.783 -14.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.662 -5.814 -15.113 1.00 0.00 H new ATOM 493 N GLU A 34 -0.425 -5.667 -8.776 1.00 0.00 N ATOM 494 CA GLU A 34 0.208 -6.580 -7.831 1.00 0.00 C ATOM 495 C GLU A 34 0.485 -7.931 -8.483 1.00 0.00 C ATOM 496 O GLU A 34 -0.419 -8.572 -9.021 1.00 0.00 O ATOM 497 CB GLU A 34 -0.680 -6.769 -6.599 1.00 0.00 C ATOM 498 CG GLU A 34 -1.310 -5.479 -6.099 1.00 0.00 C ATOM 499 CD GLU A 34 -2.651 -5.196 -6.748 1.00 0.00 C ATOM 500 OE1 GLU A 34 -3.369 -6.165 -7.073 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.982 -4.006 -6.932 1.00 0.00 O ATOM 0 H GLU A 34 -1.308 -6.003 -9.161 1.00 0.00 H new ATOM 0 HA GLU A 34 1.158 -6.143 -7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.470 -7.481 -6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.086 -7.208 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.438 -5.537 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.633 -4.648 -6.296 1.00 0.00 H new ATOM 508 N LEU A 35 1.742 -8.359 -8.432 1.00 0.00 N ATOM 509 CA LEU A 35 2.141 -9.634 -9.018 1.00 0.00 C ATOM 510 C LEU A 35 2.323 -10.696 -7.938 1.00 0.00 C ATOM 511 O LEU A 35 2.284 -10.396 -6.746 1.00 0.00 O ATOM 512 CB LEU A 35 3.438 -9.470 -9.812 1.00 0.00 C ATOM 513 CG LEU A 35 3.413 -8.426 -10.929 1.00 0.00 C ATOM 514 CD1 LEU A 35 2.140 -8.555 -11.752 1.00 0.00 C ATOM 515 CD2 LEU A 35 3.537 -7.024 -10.352 1.00 0.00 C ATOM 0 H LEU A 35 2.502 -7.842 -7.991 1.00 0.00 H new ATOM 0 HA LEU A 35 1.349 -9.960 -9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.236 -9.210 -9.117 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.698 -10.434 -10.249 1.00 0.00 H new ATOM 0 HG LEU A 35 4.265 -8.604 -11.585 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.140 -7.804 -12.542 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.093 -9.549 -12.196 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.274 -8.404 -11.108 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.517 -6.294 -11.162 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.706 -6.835 -9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.477 -6.937 -9.807 1.00 0.00 H new ATOM 527 N ASN A 36 2.525 -11.938 -8.365 1.00 0.00 N ATOM 528 CA ASN A 36 2.716 -13.045 -7.435 1.00 0.00 C ATOM 529 C ASN A 36 4.069 -13.714 -7.655 1.00 0.00 C ATOM 530 O ASN A 36 4.228 -14.537 -8.557 1.00 0.00 O ATOM 531 CB ASN A 36 1.594 -14.073 -7.596 1.00 0.00 C ATOM 532 CG ASN A 36 1.491 -14.598 -9.014 1.00 0.00 C ATOM 533 OD1 ASN A 36 0.973 -13.921 -9.903 1.00 0.00 O ATOM 534 ND2 ASN A 36 1.984 -15.812 -9.233 1.00 0.00 N ATOM 0 H ASN A 36 2.561 -12.203 -9.349 1.00 0.00 H new ATOM 0 HA ASN A 36 2.690 -12.644 -6.422 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.768 -14.906 -6.915 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.645 -13.619 -7.310 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.942 -16.219 -10.168 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.404 -16.338 -8.467 1.00 0.00 H new ATOM 541 N LEU A 37 5.043 -13.354 -6.825 1.00 0.00 N ATOM 542 CA LEU A 37 6.384 -13.920 -6.928 1.00 0.00 C ATOM 543 C LEU A 37 6.693 -14.808 -5.727 1.00 0.00 C ATOM 544 O LEU A 37 6.042 -14.711 -4.688 1.00 0.00 O ATOM 545 CB LEU A 37 7.423 -12.802 -7.032 1.00 0.00 C ATOM 546 CG LEU A 37 7.097 -11.672 -8.008 1.00 0.00 C ATOM 547 CD1 LEU A 37 7.770 -10.379 -7.572 1.00 0.00 C ATOM 548 CD2 LEU A 37 7.524 -12.047 -9.420 1.00 0.00 C ATOM 0 H LEU A 37 4.929 -12.673 -6.074 1.00 0.00 H new ATOM 0 HA LEU A 37 6.426 -14.532 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.563 -12.370 -6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.375 -13.244 -7.324 1.00 0.00 H new ATOM 0 HG LEU A 37 6.018 -11.515 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.527 -9.586 -8.279 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.416 -10.101 -6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.850 -10.522 -7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.284 -11.231 -10.101 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.598 -12.231 -9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.996 -12.948 -9.733 1.00 0.00 H new ATOM 560 N GLU A 38 7.693 -15.671 -5.878 1.00 0.00 N ATOM 561 CA GLU A 38 8.090 -16.575 -4.805 1.00 0.00 C ATOM 562 C GLU A 38 9.548 -16.351 -4.416 1.00 0.00 C ATOM 563 O GLU A 38 10.435 -16.336 -5.269 1.00 0.00 O ATOM 564 CB GLU A 38 7.882 -18.030 -5.231 1.00 0.00 C ATOM 565 CG GLU A 38 8.264 -19.038 -4.160 1.00 0.00 C ATOM 566 CD GLU A 38 9.727 -19.432 -4.224 1.00 0.00 C ATOM 567 OE1 GLU A 38 10.320 -19.332 -5.319 1.00 0.00 O ATOM 568 OE2 GLU A 38 10.278 -19.840 -3.181 1.00 0.00 O ATOM 0 H GLU A 38 8.243 -15.763 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 38 7.464 -16.365 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.835 -18.175 -5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.470 -18.225 -6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.047 -18.618 -3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.646 -19.930 -4.269 1.00 0.00 H new ATOM 575 N LYS A 39 9.788 -16.176 -3.121 1.00 0.00 N ATOM 576 CA LYS A 39 11.138 -15.953 -2.616 1.00 0.00 C ATOM 577 C LYS A 39 11.297 -16.532 -1.214 1.00 0.00 C ATOM 578 O LYS A 39 10.399 -16.417 -0.379 1.00 0.00 O ATOM 579 CB LYS A 39 11.458 -14.457 -2.601 1.00 0.00 C ATOM 580 CG LYS A 39 12.936 -14.149 -2.767 1.00 0.00 C ATOM 581 CD LYS A 39 13.314 -14.001 -4.232 1.00 0.00 C ATOM 582 CE LYS A 39 13.090 -12.580 -4.724 1.00 0.00 C ATOM 583 NZ LYS A 39 13.076 -12.504 -6.211 1.00 0.00 N ATOM 0 H LYS A 39 9.065 -16.184 -2.402 1.00 0.00 H new ATOM 0 HA LYS A 39 11.836 -16.461 -3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.901 -13.967 -3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.110 -14.029 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.179 -13.230 -2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.528 -14.946 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.361 -14.274 -4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.724 -14.693 -4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.145 -12.205 -4.332 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.876 -11.933 -4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.921 -11.519 -6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.987 -12.838 -6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.310 -13.102 -6.582 1.00 0.00 H new ATOM 597 N ASP A 40 12.444 -17.151 -0.961 1.00 0.00 N ATOM 598 CA ASP A 40 12.722 -17.745 0.342 1.00 0.00 C ATOM 599 C ASP A 40 11.615 -18.715 0.744 1.00 0.00 C ATOM 600 O ASP A 40 11.238 -18.795 1.913 1.00 0.00 O ATOM 601 CB ASP A 40 12.870 -16.654 1.403 1.00 0.00 C ATOM 602 CG ASP A 40 14.245 -16.013 1.386 1.00 0.00 C ATOM 603 OD1 ASP A 40 15.244 -16.749 1.526 1.00 0.00 O ATOM 604 OD2 ASP A 40 14.320 -14.777 1.232 1.00 0.00 O ATOM 0 H ASP A 40 13.197 -17.255 -1.641 1.00 0.00 H new ATOM 0 HA ASP A 40 13.658 -18.299 0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.113 -15.887 1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.684 -17.081 2.388 1.00 0.00 H new ATOM 609 N LYS A 41 11.095 -19.450 -0.234 1.00 0.00 N ATOM 610 CA LYS A 41 10.031 -20.415 0.016 1.00 0.00 C ATOM 611 C LYS A 41 8.765 -19.715 0.501 1.00 0.00 C ATOM 612 O LYS A 41 8.058 -20.223 1.371 1.00 0.00 O ATOM 613 CB LYS A 41 10.484 -21.448 1.051 1.00 0.00 C ATOM 614 CG LYS A 41 11.743 -22.198 0.651 1.00 0.00 C ATOM 615 CD LYS A 41 11.433 -23.335 -0.309 1.00 0.00 C ATOM 616 CE LYS A 41 11.101 -24.618 0.437 1.00 0.00 C ATOM 617 NZ LYS A 41 11.379 -25.827 -0.388 1.00 0.00 N ATOM 0 H LYS A 41 11.394 -19.395 -1.208 1.00 0.00 H new ATOM 0 HA LYS A 41 9.808 -20.923 -0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.658 -20.945 2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.679 -22.166 1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.446 -21.508 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.230 -22.595 1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.594 -23.056 -0.947 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.288 -23.504 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.684 -24.664 1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.050 -24.609 0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.140 -26.681 0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.804 -25.796 -1.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.387 -25.850 -0.642 1.00 0.00 H new ATOM 631 N LYS A 42 8.485 -18.548 -0.069 1.00 0.00 N ATOM 632 CA LYS A 42 7.302 -17.780 0.302 1.00 0.00 C ATOM 633 C LYS A 42 6.741 -17.030 -0.902 1.00 0.00 C ATOM 634 O LYS A 42 7.471 -16.335 -1.608 1.00 0.00 O ATOM 635 CB LYS A 42 7.642 -16.791 1.419 1.00 0.00 C ATOM 636 CG LYS A 42 8.170 -17.454 2.680 1.00 0.00 C ATOM 637 CD LYS A 42 8.841 -16.448 3.600 1.00 0.00 C ATOM 638 CE LYS A 42 10.304 -16.251 3.238 1.00 0.00 C ATOM 639 NZ LYS A 42 10.949 -15.208 4.082 1.00 0.00 N ATOM 0 H LYS A 42 9.061 -18.113 -0.790 1.00 0.00 H new ATOM 0 HA LYS A 42 6.544 -18.477 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.386 -16.083 1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.750 -16.216 1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.349 -17.940 3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.882 -18.234 2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.318 -15.493 3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.763 -16.789 4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.837 -17.194 3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.383 -15.969 2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.946 -15.104 3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.456 -14.302 3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.896 -15.489 5.082 1.00 0.00 H new ATOM 653 N ILE A 43 5.440 -17.175 -1.129 1.00 0.00 N ATOM 654 CA ILE A 43 4.781 -16.510 -2.245 1.00 0.00 C ATOM 655 C ILE A 43 3.968 -15.311 -1.768 1.00 0.00 C ATOM 656 O ILE A 43 2.965 -15.465 -1.071 1.00 0.00 O ATOM 657 CB ILE A 43 3.853 -17.474 -3.008 1.00 0.00 C ATOM 658 CG1 ILE A 43 4.602 -18.758 -3.369 1.00 0.00 C ATOM 659 CG2 ILE A 43 3.305 -16.804 -4.259 1.00 0.00 C ATOM 660 CD1 ILE A 43 3.906 -19.587 -4.427 1.00 0.00 C ATOM 0 H ILE A 43 4.822 -17.747 -0.554 1.00 0.00 H new ATOM 0 HA ILE A 43 5.568 -16.169 -2.917 1.00 0.00 H new ATOM 0 HB ILE A 43 3.014 -17.734 -2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.601 -18.500 -3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.726 -19.361 -2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.651 -17.498 -4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.740 -15.916 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.131 -16.517 -4.910 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.493 -20.482 -4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.917 -19.876 -4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.805 -19.001 -5.341 1.00 0.00 H new ATOM 672 N PHE A 44 4.406 -14.116 -2.151 1.00 0.00 N ATOM 673 CA PHE A 44 3.719 -12.890 -1.763 1.00 0.00 C ATOM 674 C PHE A 44 2.626 -12.537 -2.768 1.00 0.00 C ATOM 675 O PHE A 44 2.907 -12.033 -3.855 1.00 0.00 O ATOM 676 CB PHE A 44 4.716 -11.735 -1.651 1.00 0.00 C ATOM 677 CG PHE A 44 5.874 -12.028 -0.740 1.00 0.00 C ATOM 678 CD1 PHE A 44 6.949 -12.780 -1.185 1.00 0.00 C ATOM 679 CD2 PHE A 44 5.887 -11.553 0.561 1.00 0.00 C ATOM 680 CE1 PHE A 44 8.015 -13.052 -0.349 1.00 0.00 C ATOM 681 CE2 PHE A 44 6.950 -11.821 1.402 1.00 0.00 C ATOM 682 CZ PHE A 44 8.016 -12.571 0.946 1.00 0.00 C ATOM 0 H PHE A 44 5.233 -13.971 -2.730 1.00 0.00 H new ATOM 0 HA PHE A 44 3.255 -13.056 -0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.097 -11.497 -2.644 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.194 -10.849 -1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.954 -13.158 -2.197 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.056 -10.966 0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 44 8.847 -13.640 -0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.947 -11.445 2.414 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.849 -12.781 1.601 1.00 0.00 H new ATOM 692 N ASN A 45 1.379 -12.808 -2.397 1.00 0.00 N ATOM 693 CA ASN A 45 0.244 -12.521 -3.266 1.00 0.00 C ATOM 694 C ASN A 45 -0.193 -11.065 -3.127 1.00 0.00 C ATOM 695 O ASN A 45 0.030 -10.434 -2.094 1.00 0.00 O ATOM 696 CB ASN A 45 -0.926 -13.450 -2.935 1.00 0.00 C ATOM 697 CG ASN A 45 -0.890 -14.734 -3.740 1.00 0.00 C ATOM 698 OD1 ASN A 45 -1.415 -14.798 -4.852 1.00 0.00 O ATOM 699 ND2 ASN A 45 -0.269 -15.766 -3.180 1.00 0.00 N ATOM 0 H ASN A 45 1.129 -13.226 -1.501 1.00 0.00 H new ATOM 0 HA ASN A 45 0.555 -12.692 -4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.906 -13.690 -1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.865 -12.930 -3.127 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.213 -16.657 -3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.152 -15.668 -2.256 1.00 0.00 H new ATOM 706 N HIS A 46 -0.817 -10.538 -4.176 1.00 0.00 N ATOM 707 CA HIS A 46 -1.287 -9.158 -4.171 1.00 0.00 C ATOM 708 C HIS A 46 -0.202 -8.216 -3.658 1.00 0.00 C ATOM 709 O HIS A 46 -0.462 -7.352 -2.820 1.00 0.00 O ATOM 710 CB HIS A 46 -2.542 -9.026 -3.308 1.00 0.00 C ATOM 711 CG HIS A 46 -3.689 -9.863 -3.787 1.00 0.00 C ATOM 712 ND1 HIS A 46 -4.285 -9.689 -5.018 1.00 0.00 N ATOM 713 CD2 HIS A 46 -4.348 -10.885 -3.192 1.00 0.00 C ATOM 714 CE1 HIS A 46 -5.262 -10.567 -5.160 1.00 0.00 C ATOM 715 NE2 HIS A 46 -5.320 -11.305 -4.066 1.00 0.00 N ATOM 0 H HIS A 46 -1.009 -11.046 -5.040 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.530 -8.880 -5.197 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.300 -9.308 -2.283 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.850 -7.981 -3.286 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.147 -11.294 -2.213 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.904 -10.665 -6.023 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.980 -12.064 -3.898 1.00 0.00 H new ATOM 724 N CYS A 47 1.014 -8.390 -4.165 1.00 0.00 N ATOM 725 CA CYS A 47 2.139 -7.557 -3.757 1.00 0.00 C ATOM 726 C CYS A 47 2.914 -7.056 -4.972 1.00 0.00 C ATOM 727 O CYS A 47 2.981 -7.731 -5.999 1.00 0.00 O ATOM 728 CB CYS A 47 3.070 -8.340 -2.830 1.00 0.00 C ATOM 729 SG CYS A 47 3.962 -7.312 -1.640 1.00 0.00 S ATOM 0 H CYS A 47 1.245 -9.101 -4.859 1.00 0.00 H new ATOM 0 HA CYS A 47 1.745 -6.694 -3.220 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.484 -9.081 -2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.793 -8.886 -3.436 1.00 0.00 H new ATOM 0 HG CYS A 47 4.721 -8.064 -0.900 1.00 0.00 H new ATOM 735 N PHE A 48 3.496 -5.868 -4.847 1.00 0.00 N ATOM 736 CA PHE A 48 4.263 -5.275 -5.936 1.00 0.00 C ATOM 737 C PHE A 48 5.725 -5.094 -5.535 1.00 0.00 C ATOM 738 O PHE A 48 6.105 -5.355 -4.393 1.00 0.00 O ATOM 739 CB PHE A 48 3.662 -3.926 -6.336 1.00 0.00 C ATOM 740 CG PHE A 48 3.181 -3.113 -5.168 1.00 0.00 C ATOM 741 CD1 PHE A 48 1.937 -3.352 -4.607 1.00 0.00 C ATOM 742 CD2 PHE A 48 3.973 -2.111 -4.631 1.00 0.00 C ATOM 743 CE1 PHE A 48 1.491 -2.606 -3.532 1.00 0.00 C ATOM 744 CE2 PHE A 48 3.533 -1.363 -3.556 1.00 0.00 C ATOM 745 CZ PHE A 48 2.290 -1.609 -3.007 1.00 0.00 C ATOM 0 H PHE A 48 3.451 -5.297 -4.003 1.00 0.00 H new ATOM 0 HA PHE A 48 4.219 -5.952 -6.789 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.410 -3.353 -6.884 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.829 -4.097 -7.017 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.308 -4.130 -5.014 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.945 -1.912 -5.058 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.519 -2.802 -3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.161 -0.586 -3.145 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.943 -1.023 -2.169 1.00 0.00 H new ATOM 755 N THR A 49 6.541 -4.646 -6.483 1.00 0.00 N ATOM 756 CA THR A 49 7.961 -4.431 -6.232 1.00 0.00 C ATOM 757 C THR A 49 8.255 -2.960 -5.963 1.00 0.00 C ATOM 758 O THR A 49 7.391 -2.102 -6.138 1.00 0.00 O ATOM 759 CB THR A 49 8.820 -4.907 -7.418 1.00 0.00 C ATOM 760 OG1 THR A 49 8.594 -4.065 -8.555 1.00 0.00 O ATOM 761 CG2 THR A 49 8.496 -6.349 -7.777 1.00 0.00 C ATOM 0 H THR A 49 6.243 -4.425 -7.433 1.00 0.00 H new ATOM 0 HA THR A 49 8.218 -5.017 -5.350 1.00 0.00 H new ATOM 0 HB THR A 49 9.868 -4.849 -7.125 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.145 -4.373 -9.305 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.115 -6.663 -8.617 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.696 -6.991 -6.919 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.444 -6.428 -8.052 1.00 0.00 H new ATOM 769 N GLY A 50 9.482 -2.675 -5.537 1.00 0.00 N ATOM 770 CA GLY A 50 9.869 -1.306 -5.252 1.00 0.00 C ATOM 771 C GLY A 50 9.841 -0.426 -6.486 1.00 0.00 C ATOM 772 O GLY A 50 9.333 0.694 -6.447 1.00 0.00 O ATOM 0 H GLY A 50 10.215 -3.368 -5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.199 -0.892 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.872 -1.297 -4.826 1.00 0.00 H new ATOM 776 N ASN A 51 10.390 -0.934 -7.585 1.00 0.00 N ATOM 777 CA ASN A 51 10.428 -0.185 -8.836 1.00 0.00 C ATOM 778 C ASN A 51 9.032 0.287 -9.231 1.00 0.00 C ATOM 779 O ASN A 51 8.797 1.482 -9.409 1.00 0.00 O ATOM 780 CB ASN A 51 11.021 -1.047 -9.953 1.00 0.00 C ATOM 781 CG ASN A 51 10.658 -0.536 -11.333 1.00 0.00 C ATOM 782 OD1 ASN A 51 9.500 -0.603 -11.747 1.00 0.00 O ATOM 783 ND2 ASN A 51 11.648 -0.022 -12.053 1.00 0.00 N ATOM 0 H ASN A 51 10.814 -1.860 -7.635 1.00 0.00 H new ATOM 0 HA ASN A 51 11.060 0.691 -8.686 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.106 -1.072 -9.852 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.667 -2.072 -9.844 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.464 0.338 -12.990 1.00 0.00 H new ATOM 0 HD22 ASN A 51 12.593 0.013 -11.670 1.00 0.00 H new ATOM 790 N CYS A 52 8.109 -0.660 -9.364 1.00 0.00 N ATOM 791 CA CYS A 52 6.736 -0.341 -9.738 1.00 0.00 C ATOM 792 C CYS A 52 6.280 0.957 -9.079 1.00 0.00 C ATOM 793 O CYS A 52 5.665 1.808 -9.721 1.00 0.00 O ATOM 794 CB CYS A 52 5.800 -1.484 -9.341 1.00 0.00 C ATOM 795 SG CYS A 52 4.348 -1.652 -10.406 1.00 0.00 S ATOM 0 H CYS A 52 8.287 -1.654 -9.218 1.00 0.00 H new ATOM 0 HA CYS A 52 6.701 -0.210 -10.820 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.359 -2.420 -9.357 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.468 -1.328 -8.314 1.00 0.00 H new ATOM 0 HG CYS A 52 3.619 -2.646 -9.992 1.00 0.00 H new ATOM 801 N VAL A 53 6.585 1.101 -7.793 1.00 0.00 N ATOM 802 CA VAL A 53 6.207 2.295 -7.047 1.00 0.00 C ATOM 803 C VAL A 53 6.755 3.554 -7.710 1.00 0.00 C ATOM 804 O VAL A 53 6.008 4.484 -8.012 1.00 0.00 O ATOM 805 CB VAL A 53 6.712 2.232 -5.593 1.00 0.00 C ATOM 806 CG1 VAL A 53 6.307 3.485 -4.832 1.00 0.00 C ATOM 807 CG2 VAL A 53 6.186 0.983 -4.901 1.00 0.00 C ATOM 0 H VAL A 53 7.093 0.405 -7.246 1.00 0.00 H new ATOM 0 HA VAL A 53 5.118 2.334 -7.044 1.00 0.00 H new ATOM 0 HB VAL A 53 7.801 2.181 -5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.672 3.422 -3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.737 4.361 -5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.220 3.571 -4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.552 0.954 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.096 1.001 -4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.532 0.098 -5.435 1.00 0.00 H new ATOM 817 N ILE A 54 8.065 3.576 -7.933 1.00 0.00 N ATOM 818 CA ILE A 54 8.713 4.720 -8.561 1.00 0.00 C ATOM 819 C ILE A 54 8.167 4.959 -9.965 1.00 0.00 C ATOM 820 O ILE A 54 7.531 5.979 -10.230 1.00 0.00 O ATOM 821 CB ILE A 54 10.239 4.528 -8.642 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.779 3.996 -7.313 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.919 5.839 -9.009 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.355 4.816 -6.116 1.00 0.00 C ATOM 0 H ILE A 54 8.698 2.815 -7.688 1.00 0.00 H new ATOM 0 HA ILE A 54 8.496 5.587 -7.937 1.00 0.00 H new ATOM 0 HB ILE A 54 10.458 3.797 -9.421 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.440 2.969 -7.178 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.868 3.969 -7.357 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.997 5.687 -9.062 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.552 6.181 -9.977 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.695 6.590 -8.251 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.775 4.380 -5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.717 5.838 -6.228 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.267 4.822 -6.046 1.00 0.00 H new ATOM 836 N ASP A 55 8.418 4.010 -10.861 1.00 0.00 N ATOM 837 CA ASP A 55 7.949 4.115 -12.237 1.00 0.00 C ATOM 838 C ASP A 55 6.497 4.580 -12.283 1.00 0.00 C ATOM 839 O ASP A 55 6.174 5.578 -12.928 1.00 0.00 O ATOM 840 CB ASP A 55 8.089 2.769 -12.950 1.00 0.00 C ATOM 841 CG ASP A 55 9.459 2.582 -13.571 1.00 0.00 C ATOM 842 OD1 ASP A 55 10.464 2.880 -12.891 1.00 0.00 O ATOM 843 OD2 ASP A 55 9.527 2.138 -14.735 1.00 0.00 O ATOM 0 H ASP A 55 8.944 3.160 -10.658 1.00 0.00 H new ATOM 0 HA ASP A 55 8.565 4.855 -12.749 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.903 1.964 -12.239 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.328 2.692 -13.726 1.00 0.00 H new ATOM 848 N TRP A 56 5.626 3.850 -11.595 1.00 0.00 N ATOM 849 CA TRP A 56 4.207 4.188 -11.558 1.00 0.00 C ATOM 850 C TRP A 56 4.009 5.696 -11.460 1.00 0.00 C ATOM 851 O TRP A 56 3.299 6.293 -12.271 1.00 0.00 O ATOM 852 CB TRP A 56 3.527 3.494 -10.377 1.00 0.00 C ATOM 853 CG TRP A 56 2.055 3.761 -10.298 1.00 0.00 C ATOM 854 CD1 TRP A 56 1.051 2.971 -10.782 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.421 4.898 -9.702 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.168 3.548 -10.522 1.00 0.00 N ATOM 857 CE2 TRP A 56 0.031 4.731 -9.860 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.892 6.040 -9.049 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -0.889 5.664 -9.389 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.977 6.965 -8.582 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.400 6.773 -8.753 1.00 0.00 C ATOM 0 H TRP A 56 5.877 3.021 -11.056 1.00 0.00 H new ATOM 0 HA TRP A 56 3.752 3.840 -12.486 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.690 2.419 -10.454 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.999 3.823 -9.451 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.195 2.031 -11.294 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.075 3.159 -10.780 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.952 6.197 -8.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -1.951 5.518 -9.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.330 7.852 -8.076 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.089 7.514 -8.376 1.00 0.00 H new ATOM 872 N LEU A 57 4.639 6.308 -10.464 1.00 0.00 N ATOM 873 CA LEU A 57 4.532 7.749 -10.260 1.00 0.00 C ATOM 874 C LEU A 57 4.880 8.506 -11.537 1.00 0.00 C ATOM 875 O LEU A 57 4.219 9.482 -11.892 1.00 0.00 O ATOM 876 CB LEU A 57 5.454 8.193 -9.123 1.00 0.00 C ATOM 877 CG LEU A 57 4.989 7.846 -7.708 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.182 7.695 -6.776 1.00 0.00 C ATOM 879 CD2 LEU A 57 4.032 8.907 -7.186 1.00 0.00 C ATOM 0 H LEU A 57 5.230 5.829 -9.784 1.00 0.00 H new ATOM 0 HA LEU A 57 3.500 7.978 -9.993 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.435 7.745 -9.282 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.583 9.273 -9.187 1.00 0.00 H new ATOM 0 HG LEU A 57 4.459 6.894 -7.743 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.832 7.448 -5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.830 6.898 -7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.740 8.631 -6.745 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.711 8.644 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.536 9.873 -7.166 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.162 8.965 -7.840 1.00 0.00 H new ATOM 891 N VAL A 58 5.921 8.049 -12.226 1.00 0.00 N ATOM 892 CA VAL A 58 6.356 8.682 -13.466 1.00 0.00 C ATOM 893 C VAL A 58 5.333 8.472 -14.577 1.00 0.00 C ATOM 894 O VAL A 58 5.008 9.400 -15.318 1.00 0.00 O ATOM 895 CB VAL A 58 7.719 8.133 -13.928 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.139 8.783 -15.238 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.772 8.351 -12.853 1.00 0.00 C ATOM 0 H VAL A 58 6.479 7.242 -11.946 1.00 0.00 H new ATOM 0 HA VAL A 58 6.453 9.748 -13.261 1.00 0.00 H new ATOM 0 HB VAL A 58 7.622 7.061 -14.097 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.104 8.383 -15.549 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.394 8.571 -16.005 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.220 9.861 -15.100 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.729 7.957 -13.196 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.870 9.418 -12.651 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.473 7.835 -11.941 1.00 0.00 H new ATOM 907 N SER A 59 4.827 7.248 -14.686 1.00 0.00 N ATOM 908 CA SER A 59 3.843 6.915 -15.709 1.00 0.00 C ATOM 909 C SER A 59 2.625 7.828 -15.608 1.00 0.00 C ATOM 910 O SER A 59 2.015 8.182 -16.616 1.00 0.00 O ATOM 911 CB SER A 59 3.411 5.454 -15.575 1.00 0.00 C ATOM 912 OG SER A 59 2.677 5.033 -16.712 1.00 0.00 O ATOM 0 H SER A 59 5.082 6.470 -14.078 1.00 0.00 H new ATOM 0 HA SER A 59 4.306 7.061 -16.685 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.290 4.821 -15.451 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.802 5.332 -14.679 1.00 0.00 H new ATOM 0 HG SER A 59 2.414 4.095 -16.603 1.00 0.00 H new ATOM 918 N ASN A 60 2.276 8.206 -14.382 1.00 0.00 N ATOM 919 CA ASN A 60 1.131 9.078 -14.147 1.00 0.00 C ATOM 920 C ASN A 60 1.533 10.546 -14.256 1.00 0.00 C ATOM 921 O ASN A 60 0.752 11.439 -13.928 1.00 0.00 O ATOM 922 CB ASN A 60 0.529 8.803 -12.768 1.00 0.00 C ATOM 923 CG ASN A 60 0.673 7.352 -12.352 1.00 0.00 C ATOM 924 OD1 ASN A 60 1.220 7.050 -11.291 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.183 6.445 -13.190 1.00 0.00 N ATOM 0 H ASN A 60 2.770 7.922 -13.536 1.00 0.00 H new ATOM 0 HA ASN A 60 0.383 8.867 -14.911 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.015 9.440 -12.029 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.527 9.073 -12.775 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.252 5.453 -12.965 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.262 6.741 -14.059 1.00 0.00 H new ATOM 932 N GLN A 61 2.755 10.786 -14.719 1.00 0.00 N ATOM 933 CA GLN A 61 3.261 12.145 -14.871 1.00 0.00 C ATOM 934 C GLN A 61 3.312 12.861 -13.525 1.00 0.00 C ATOM 935 O GLN A 61 3.237 14.088 -13.459 1.00 0.00 O ATOM 936 CB GLN A 61 2.384 12.932 -15.847 1.00 0.00 C ATOM 937 CG GLN A 61 2.166 12.224 -17.174 1.00 0.00 C ATOM 938 CD GLN A 61 0.913 12.693 -17.886 1.00 0.00 C ATOM 939 OE1 GLN A 61 -0.158 12.787 -17.286 1.00 0.00 O ATOM 940 NE2 GLN A 61 1.039 12.990 -19.175 1.00 0.00 N ATOM 0 H GLN A 61 3.413 10.057 -14.995 1.00 0.00 H new ATOM 0 HA GLN A 61 4.274 12.086 -15.269 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.416 13.121 -15.382 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.843 13.903 -16.034 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.030 12.392 -17.817 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.101 11.150 -17.002 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.946 12.898 -19.633 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.229 13.310 -19.706 1.00 0.00 H new ATOM 949 N SER A 62 3.439 12.085 -12.453 1.00 0.00 N ATOM 950 CA SER A 62 3.496 12.645 -11.107 1.00 0.00 C ATOM 951 C SER A 62 4.885 13.202 -10.808 1.00 0.00 C ATOM 952 O SER A 62 5.034 14.147 -10.034 1.00 0.00 O ATOM 953 CB SER A 62 3.128 11.579 -10.073 1.00 0.00 C ATOM 954 OG SER A 62 1.984 10.849 -10.478 1.00 0.00 O ATOM 0 H SER A 62 3.504 11.068 -12.490 1.00 0.00 H new ATOM 0 HA SER A 62 2.776 13.462 -11.049 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.967 10.898 -9.934 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.939 12.052 -9.110 1.00 0.00 H new ATOM 0 HG SER A 62 1.771 10.173 -9.801 1.00 0.00 H new ATOM 960 N VAL A 63 5.899 12.608 -11.429 1.00 0.00 N ATOM 961 CA VAL A 63 7.277 13.044 -11.231 1.00 0.00 C ATOM 962 C VAL A 63 7.990 13.232 -12.565 1.00 0.00 C ATOM 963 O VAL A 63 7.484 12.830 -13.613 1.00 0.00 O ATOM 964 CB VAL A 63 8.067 12.036 -10.376 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.682 12.161 -8.910 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.838 10.618 -10.877 1.00 0.00 C ATOM 0 H VAL A 63 5.793 11.824 -12.073 1.00 0.00 H new ATOM 0 HA VAL A 63 7.235 13.999 -10.707 1.00 0.00 H new ATOM 0 HB VAL A 63 9.129 12.262 -10.468 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.251 11.441 -8.322 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.903 13.170 -8.561 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.616 11.962 -8.795 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.404 9.919 -10.261 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.777 10.378 -10.817 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.169 10.540 -11.912 1.00 0.00 H new ATOM 976 N ARG A 64 9.169 13.844 -12.518 1.00 0.00 N ATOM 977 CA ARG A 64 9.952 14.086 -13.724 1.00 0.00 C ATOM 978 C ARG A 64 10.775 12.856 -14.093 1.00 0.00 C ATOM 979 O ARG A 64 10.996 12.576 -15.271 1.00 0.00 O ATOM 980 CB ARG A 64 10.876 15.290 -13.525 1.00 0.00 C ATOM 981 CG ARG A 64 10.163 16.523 -12.994 1.00 0.00 C ATOM 982 CD ARG A 64 11.094 17.724 -12.939 1.00 0.00 C ATOM 983 NE ARG A 64 10.369 18.968 -12.698 1.00 0.00 N ATOM 984 CZ ARG A 64 9.728 19.641 -13.647 1.00 0.00 C ATOM 985 NH1 ARG A 64 9.722 19.191 -14.894 1.00 0.00 N ATOM 986 NH2 ARG A 64 9.090 20.766 -13.350 1.00 0.00 N ATOM 0 H ARG A 64 9.603 14.181 -11.658 1.00 0.00 H new ATOM 0 HA ARG A 64 9.261 14.298 -14.540 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.673 15.016 -12.834 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.349 15.535 -14.476 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.308 16.753 -13.630 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.773 16.318 -11.997 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.831 17.575 -12.150 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.643 17.800 -13.878 1.00 0.00 H new ATOM 0 HE ARG A 64 10.354 19.341 -11.749 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.210 18.326 -15.126 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.229 19.710 -15.621 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.091 21.115 -12.392 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.598 21.281 -14.080 1.00 0.00 H new ATOM 1000 N ASN A 65 11.226 12.125 -13.079 1.00 0.00 N ATOM 1001 CA ASN A 65 12.026 10.925 -13.297 1.00 0.00 C ATOM 1002 C ASN A 65 11.881 9.955 -12.129 1.00 0.00 C ATOM 1003 O ASN A 65 11.103 10.192 -11.204 1.00 0.00 O ATOM 1004 CB ASN A 65 13.498 11.296 -13.487 1.00 0.00 C ATOM 1005 CG ASN A 65 14.245 11.389 -12.170 1.00 0.00 C ATOM 1006 OD1 ASN A 65 15.004 10.490 -11.809 1.00 0.00 O ATOM 1007 ND2 ASN A 65 14.033 12.482 -11.446 1.00 0.00 N ATOM 0 H ASN A 65 11.051 12.343 -12.098 1.00 0.00 H new ATOM 0 HA ASN A 65 11.662 10.435 -14.200 1.00 0.00 H new ATOM 0 HB2 ASN A 65 13.978 10.552 -14.122 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.565 12.251 -14.008 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.508 12.601 -10.551 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.395 13.202 -11.785 1.00 0.00 H new ATOM 1014 N ARG A 66 12.635 8.862 -12.178 1.00 0.00 N ATOM 1015 CA ARG A 66 12.590 7.855 -11.124 1.00 0.00 C ATOM 1016 C ARG A 66 12.965 8.462 -9.775 1.00 0.00 C ATOM 1017 O ARG A 66 12.171 8.445 -8.835 1.00 0.00 O ATOM 1018 CB ARG A 66 13.534 6.697 -11.455 1.00 0.00 C ATOM 1019 CG ARG A 66 12.909 5.637 -12.346 1.00 0.00 C ATOM 1020 CD ARG A 66 12.667 6.162 -13.752 1.00 0.00 C ATOM 1021 NE ARG A 66 11.611 5.423 -14.439 1.00 0.00 N ATOM 1022 CZ ARG A 66 11.423 5.461 -15.753 1.00 0.00 C ATOM 1023 NH1 ARG A 66 12.216 6.198 -16.519 1.00 0.00 N ATOM 1024 NH2 ARG A 66 10.440 4.760 -16.304 1.00 0.00 N ATOM 0 H ARG A 66 13.284 8.651 -12.936 1.00 0.00 H new ATOM 0 HA ARG A 66 11.570 7.476 -11.061 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.423 7.093 -11.945 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.863 6.231 -10.526 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.562 4.766 -12.389 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.965 5.306 -11.913 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.398 7.217 -13.703 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.590 6.094 -14.328 1.00 0.00 H new ATOM 0 HE ARG A 66 10.984 4.846 -13.879 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.973 6.738 -16.099 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.069 6.225 -17.528 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.828 4.192 -15.718 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.296 4.790 -17.313 1.00 0.00 H new ATOM 1038 N GLN A 67 14.178 8.997 -9.690 1.00 0.00 N ATOM 1039 CA GLN A 67 14.658 9.608 -8.456 1.00 0.00 C ATOM 1040 C GLN A 67 13.595 10.518 -7.850 1.00 0.00 C ATOM 1041 O GLN A 67 13.329 10.463 -6.650 1.00 0.00 O ATOM 1042 CB GLN A 67 15.937 10.405 -8.720 1.00 0.00 C ATOM 1043 CG GLN A 67 17.197 9.554 -8.711 1.00 0.00 C ATOM 1044 CD GLN A 67 18.423 10.331 -8.274 1.00 0.00 C ATOM 1045 OE1 GLN A 67 19.028 11.054 -9.065 1.00 0.00 O ATOM 1046 NE2 GLN A 67 18.796 10.185 -7.008 1.00 0.00 N ATOM 0 H GLN A 67 14.846 9.020 -10.460 1.00 0.00 H new ATOM 0 HA GLN A 67 14.875 8.810 -7.746 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.852 10.903 -9.686 1.00 0.00 H new ATOM 0 HB3 GLN A 67 16.031 11.186 -7.966 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.053 8.705 -8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.365 9.149 -9.709 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.265 9.575 -6.387 1.00 0.00 H new ATOM 0 HE22 GLN A 67 19.614 10.683 -6.657 1.00 0.00 H new ATOM 1055 N GLU A 68 12.989 11.353 -8.688 1.00 0.00 N ATOM 1056 CA GLU A 68 11.956 12.275 -8.233 1.00 0.00 C ATOM 1057 C GLU A 68 10.857 11.532 -7.479 1.00 0.00 C ATOM 1058 O GLU A 68 10.306 12.040 -6.503 1.00 0.00 O ATOM 1059 CB GLU A 68 11.354 13.029 -9.421 1.00 0.00 C ATOM 1060 CG GLU A 68 12.108 14.297 -9.783 1.00 0.00 C ATOM 1061 CD GLU A 68 12.220 15.261 -8.617 1.00 0.00 C ATOM 1062 OE1 GLU A 68 11.182 15.556 -7.990 1.00 0.00 O ATOM 1063 OE2 GLU A 68 13.347 15.719 -8.333 1.00 0.00 O ATOM 0 H GLU A 68 13.196 11.410 -9.685 1.00 0.00 H new ATOM 0 HA GLU A 68 12.419 12.991 -7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.335 12.368 -10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.319 13.285 -9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.107 14.035 -10.130 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.602 14.792 -10.612 1.00 0.00 H new ATOM 1070 N GLY A 69 10.544 10.325 -7.940 1.00 0.00 N ATOM 1071 CA GLY A 69 9.512 9.530 -7.298 1.00 0.00 C ATOM 1072 C GLY A 69 9.994 8.880 -6.017 1.00 0.00 C ATOM 1073 O GLY A 69 9.191 8.411 -5.209 1.00 0.00 O ATOM 0 H GLY A 69 10.986 9.883 -8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.653 10.164 -7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.171 8.758 -7.988 1.00 0.00 H new ATOM 1077 N LEU A 70 11.309 8.850 -5.829 1.00 0.00 N ATOM 1078 CA LEU A 70 11.898 8.251 -4.636 1.00 0.00 C ATOM 1079 C LEU A 70 11.343 8.897 -3.371 1.00 0.00 C ATOM 1080 O LEU A 70 10.994 8.209 -2.413 1.00 0.00 O ATOM 1081 CB LEU A 70 13.421 8.392 -4.669 1.00 0.00 C ATOM 1082 CG LEU A 70 14.213 7.278 -3.985 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.540 6.864 -2.686 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.364 6.082 -4.914 1.00 0.00 C ATOM 0 H LEU A 70 11.987 9.233 -6.487 1.00 0.00 H new ATOM 0 HA LEU A 70 11.638 7.193 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.738 8.449 -5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.688 9.340 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 70 15.207 7.658 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.118 6.070 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.485 7.721 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.533 6.503 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.931 5.299 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.378 5.702 -5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.892 6.387 -5.817 1.00 0.00 H new ATOM 1096 N MET A 71 11.263 10.224 -3.377 1.00 0.00 N ATOM 1097 CA MET A 71 10.746 10.963 -2.230 1.00 0.00 C ATOM 1098 C MET A 71 9.281 10.622 -1.979 1.00 0.00 C ATOM 1099 O MET A 71 8.915 10.183 -0.888 1.00 0.00 O ATOM 1100 CB MET A 71 10.901 12.468 -2.455 1.00 0.00 C ATOM 1101 CG MET A 71 12.229 12.855 -3.085 1.00 0.00 C ATOM 1102 SD MET A 71 13.643 12.178 -2.195 1.00 0.00 S ATOM 1103 CE MET A 71 14.788 11.895 -3.543 1.00 0.00 C ATOM 0 H MET A 71 11.549 10.809 -4.162 1.00 0.00 H new ATOM 0 HA MET A 71 11.323 10.673 -1.352 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.090 12.817 -3.094 1.00 0.00 H new ATOM 0 HB3 MET A 71 10.798 12.982 -1.500 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.253 12.505 -4.117 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.310 13.942 -3.115 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.501 11.121 -3.258 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.237 11.573 -4.427 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.323 12.818 -3.765 1.00 0.00 H new ATOM 1113 N ILE A 72 8.448 10.827 -2.993 1.00 0.00 N ATOM 1114 CA ILE A 72 7.023 10.540 -2.881 1.00 0.00 C ATOM 1115 C ILE A 72 6.785 9.095 -2.455 1.00 0.00 C ATOM 1116 O ILE A 72 5.931 8.819 -1.613 1.00 0.00 O ATOM 1117 CB ILE A 72 6.291 10.798 -4.211 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.388 12.276 -4.594 1.00 0.00 C ATOM 1119 CG2 ILE A 72 4.835 10.368 -4.107 1.00 0.00 C ATOM 1120 CD1 ILE A 72 5.731 13.204 -3.596 1.00 0.00 C ATOM 0 H ILE A 72 8.735 11.191 -3.902 1.00 0.00 H new ATOM 0 HA ILE A 72 6.625 11.211 -2.120 1.00 0.00 H new ATOM 0 HB ILE A 72 6.770 10.207 -4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.439 12.549 -4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.926 12.421 -5.571 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.331 10.557 -5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.785 9.304 -3.875 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.344 10.935 -3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.839 14.235 -3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.672 12.958 -3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.208 13.088 -2.623 1.00 0.00 H new ATOM 1132 N ALA A 73 7.548 8.178 -3.040 1.00 0.00 N ATOM 1133 CA ALA A 73 7.423 6.762 -2.718 1.00 0.00 C ATOM 1134 C ALA A 73 7.864 6.484 -1.285 1.00 0.00 C ATOM 1135 O ALA A 73 7.139 5.855 -0.514 1.00 0.00 O ATOM 1136 CB ALA A 73 8.236 5.925 -3.695 1.00 0.00 C ATOM 0 H ALA A 73 8.259 8.390 -3.740 1.00 0.00 H new ATOM 0 HA ALA A 73 6.372 6.486 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.134 4.870 -3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.872 6.093 -4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.286 6.212 -3.634 1.00 0.00 H new ATOM 1142 N SER A 74 9.056 6.956 -0.936 1.00 0.00 N ATOM 1143 CA SER A 74 9.595 6.754 0.404 1.00 0.00 C ATOM 1144 C SER A 74 8.592 7.193 1.466 1.00 0.00 C ATOM 1145 O SER A 74 8.337 6.472 2.431 1.00 0.00 O ATOM 1146 CB SER A 74 10.904 7.528 0.572 1.00 0.00 C ATOM 1147 OG SER A 74 10.816 8.813 -0.020 1.00 0.00 O ATOM 0 H SER A 74 9.667 7.481 -1.562 1.00 0.00 H new ATOM 0 HA SER A 74 9.791 5.690 0.533 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.138 7.628 1.632 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.722 6.969 0.116 1.00 0.00 H new ATOM 0 HG SER A 74 11.283 8.809 -0.882 1.00 0.00 H new ATOM 1153 N SER A 75 8.025 8.381 1.280 1.00 0.00 N ATOM 1154 CA SER A 75 7.051 8.919 2.223 1.00 0.00 C ATOM 1155 C SER A 75 5.883 7.955 2.407 1.00 0.00 C ATOM 1156 O SER A 75 5.602 7.507 3.520 1.00 0.00 O ATOM 1157 CB SER A 75 6.536 10.275 1.738 1.00 0.00 C ATOM 1158 OG SER A 75 6.484 10.325 0.323 1.00 0.00 O ATOM 0 H SER A 75 8.223 8.989 0.485 1.00 0.00 H new ATOM 0 HA SER A 75 7.547 9.049 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.543 10.458 2.148 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.185 11.068 2.109 1.00 0.00 H new ATOM 0 HG SER A 75 5.997 9.544 -0.014 1.00 0.00 H new ATOM 1164 N LEU A 76 5.205 7.640 1.309 1.00 0.00 N ATOM 1165 CA LEU A 76 4.067 6.729 1.347 1.00 0.00 C ATOM 1166 C LEU A 76 4.332 5.565 2.297 1.00 0.00 C ATOM 1167 O LEU A 76 3.423 5.083 2.974 1.00 0.00 O ATOM 1168 CB LEU A 76 3.765 6.199 -0.055 1.00 0.00 C ATOM 1169 CG LEU A 76 2.967 7.131 -0.968 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.147 6.735 -2.425 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.493 7.117 -0.588 1.00 0.00 C ATOM 0 H LEU A 76 5.424 8.002 0.381 1.00 0.00 H new ATOM 0 HA LEU A 76 3.203 7.283 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.710 5.965 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.217 5.262 0.043 1.00 0.00 H new ATOM 0 HG LEU A 76 3.346 8.145 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.572 7.410 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.202 6.798 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.796 5.713 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.941 7.786 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.101 6.105 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.380 7.451 0.444 1.00 0.00 H new ATOM 1183 N LEU A 77 5.583 5.120 2.343 1.00 0.00 N ATOM 1184 CA LEU A 77 5.969 4.014 3.212 1.00 0.00 C ATOM 1185 C LEU A 77 6.152 4.489 4.650 1.00 0.00 C ATOM 1186 O LEU A 77 5.774 3.798 5.595 1.00 0.00 O ATOM 1187 CB LEU A 77 7.262 3.370 2.707 1.00 0.00 C ATOM 1188 CG LEU A 77 7.435 1.882 3.013 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.729 1.360 2.408 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.411 1.640 4.515 1.00 0.00 C ATOM 0 H LEU A 77 6.347 5.508 1.789 1.00 0.00 H new ATOM 0 HA LEU A 77 5.170 3.273 3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.315 3.507 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.105 3.909 3.138 1.00 0.00 H new ATOM 0 HG LEU A 77 6.603 1.339 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.835 0.299 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.707 1.498 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.573 1.908 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.535 0.576 4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.223 2.195 4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.458 1.976 4.923 1.00 0.00 H new ATOM 1202 N ASN A 78 6.733 5.674 4.807 1.00 0.00 N ATOM 1203 CA ASN A 78 6.965 6.243 6.130 1.00 0.00 C ATOM 1204 C ASN A 78 5.648 6.446 6.872 1.00 0.00 C ATOM 1205 O ASN A 78 5.527 6.100 8.047 1.00 0.00 O ATOM 1206 CB ASN A 78 7.708 7.575 6.012 1.00 0.00 C ATOM 1207 CG ASN A 78 9.213 7.405 6.078 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.718 6.479 6.713 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.939 8.302 5.420 1.00 0.00 N ATOM 0 H ASN A 78 7.052 6.259 4.035 1.00 0.00 H new ATOM 0 HA ASN A 78 7.578 5.543 6.698 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.440 8.055 5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.385 8.240 6.813 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.957 8.239 5.428 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.478 9.053 4.907 1.00 0.00 H new ATOM 1216 N GLU A 79 4.664 7.009 6.178 1.00 0.00 N ATOM 1217 CA GLU A 79 3.356 7.258 6.773 1.00 0.00 C ATOM 1218 C GLU A 79 2.628 5.947 7.056 1.00 0.00 C ATOM 1219 O GLU A 79 1.997 5.787 8.100 1.00 0.00 O ATOM 1220 CB GLU A 79 2.509 8.135 5.848 1.00 0.00 C ATOM 1221 CG GLU A 79 3.057 9.541 5.673 1.00 0.00 C ATOM 1222 CD GLU A 79 2.683 10.459 6.820 1.00 0.00 C ATOM 1223 OE1 GLU A 79 3.251 10.297 7.920 1.00 0.00 O ATOM 1224 OE2 GLU A 79 1.822 11.341 6.618 1.00 0.00 O ATOM 0 H GLU A 79 4.747 7.301 5.204 1.00 0.00 H new ATOM 0 HA GLU A 79 3.509 7.780 7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.440 7.657 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.496 8.196 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.143 9.496 5.588 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.681 9.960 4.740 1.00 0.00 H new ATOM 1231 N GLY A 80 2.721 5.010 6.116 1.00 0.00 N ATOM 1232 CA GLY A 80 2.067 3.726 6.282 1.00 0.00 C ATOM 1233 C GLY A 80 1.319 3.291 5.037 1.00 0.00 C ATOM 1234 O GLY A 80 0.862 2.151 4.946 1.00 0.00 O ATOM 0 H GLY A 80 3.238 5.118 5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.812 2.972 6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.371 3.782 7.119 1.00 0.00 H new ATOM 1238 N TYR A 81 1.191 4.201 4.078 1.00 0.00 N ATOM 1239 CA TYR A 81 0.490 3.906 2.834 1.00 0.00 C ATOM 1240 C TYR A 81 1.080 2.675 2.154 1.00 0.00 C ATOM 1241 O TYR A 81 0.398 1.983 1.396 1.00 0.00 O ATOM 1242 CB TYR A 81 0.559 5.107 1.889 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.239 6.299 2.366 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.624 6.239 2.464 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.391 7.487 2.717 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.358 7.326 2.898 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.334 8.578 3.154 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.708 8.493 3.242 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.434 9.579 3.675 1.00 0.00 O ATOM 0 H TYR A 81 1.563 5.149 4.138 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.553 3.700 3.074 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.601 5.403 1.767 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.196 4.807 0.906 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.136 5.326 2.196 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.466 7.558 2.647 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.434 7.262 2.967 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.172 9.493 3.425 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.825 10.320 3.878 1.00 0.00 H new ATOM 1259 N LEU A 82 2.351 2.407 2.430 1.00 0.00 N ATOM 1260 CA LEU A 82 3.035 1.258 1.847 1.00 0.00 C ATOM 1261 C LEU A 82 3.711 0.420 2.927 1.00 0.00 C ATOM 1262 O LEU A 82 4.483 0.937 3.734 1.00 0.00 O ATOM 1263 CB LEU A 82 4.073 1.723 0.823 1.00 0.00 C ATOM 1264 CG LEU A 82 3.521 2.216 -0.515 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.604 2.930 -1.309 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.948 1.056 -1.315 1.00 0.00 C ATOM 0 H LEU A 82 2.929 2.970 3.054 1.00 0.00 H new ATOM 0 HA LEU A 82 2.290 0.639 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.660 2.526 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.758 0.897 0.629 1.00 0.00 H new ATOM 0 HG LEU A 82 2.718 2.926 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.193 3.274 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.968 3.786 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.429 2.243 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.560 1.425 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.732 0.322 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.142 0.588 -0.751 1.00 0.00 H new ATOM 1278 N GLN A 83 3.416 -0.876 2.934 1.00 0.00 N ATOM 1279 CA GLN A 83 3.997 -1.786 3.915 1.00 0.00 C ATOM 1280 C GLN A 83 5.103 -2.629 3.288 1.00 0.00 C ATOM 1281 O GLN A 83 4.960 -3.165 2.189 1.00 0.00 O ATOM 1282 CB GLN A 83 2.916 -2.695 4.501 1.00 0.00 C ATOM 1283 CG GLN A 83 1.730 -1.938 5.076 1.00 0.00 C ATOM 1284 CD GLN A 83 1.987 -1.432 6.482 1.00 0.00 C ATOM 1285 OE1 GLN A 83 2.496 -2.161 7.334 1.00 0.00 O ATOM 1286 NE2 GLN A 83 1.636 -0.176 6.733 1.00 0.00 N ATOM 0 H GLN A 83 2.779 -1.319 2.272 1.00 0.00 H new ATOM 0 HA GLN A 83 4.432 -1.188 4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.562 -3.372 3.724 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.357 -3.312 5.284 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.493 -1.094 4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.856 -2.590 5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.217 0.393 5.997 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.785 0.219 7.661 1.00 0.00 H new ATOM 1295 N PRO A 84 6.232 -2.749 4.001 1.00 0.00 N ATOM 1296 CA PRO A 84 7.384 -3.526 3.534 1.00 0.00 C ATOM 1297 C PRO A 84 7.110 -5.026 3.532 1.00 0.00 C ATOM 1298 O PRO A 84 6.434 -5.544 4.420 1.00 0.00 O ATOM 1299 CB PRO A 84 8.478 -3.184 4.549 1.00 0.00 C ATOM 1300 CG PRO A 84 7.740 -2.796 5.784 1.00 0.00 C ATOM 1301 CD PRO A 84 6.471 -2.137 5.319 1.00 0.00 C ATOM 0 HA PRO A 84 7.648 -3.284 2.504 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.131 -4.038 4.730 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.109 -2.370 4.192 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.523 -3.669 6.400 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.332 -2.115 6.395 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.645 -2.326 6.005 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.584 -1.055 5.245 1.00 0.00 H new ATOM 1309 N ALA A 85 7.638 -5.718 2.527 1.00 0.00 N ATOM 1310 CA ALA A 85 7.451 -7.159 2.411 1.00 0.00 C ATOM 1311 C ALA A 85 8.781 -7.867 2.175 1.00 0.00 C ATOM 1312 O ALA A 85 9.212 -8.034 1.034 1.00 0.00 O ATOM 1313 CB ALA A 85 6.475 -7.476 1.289 1.00 0.00 C ATOM 0 H ALA A 85 8.198 -5.304 1.782 1.00 0.00 H new ATOM 0 HA ALA A 85 7.037 -7.524 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.345 -8.556 1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.513 -7.009 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.866 -7.091 0.347 1.00 0.00 H new ATOM 1319 N GLY A 86 9.428 -8.281 3.260 1.00 0.00 N ATOM 1320 CA GLY A 86 10.702 -8.966 3.148 1.00 0.00 C ATOM 1321 C GLY A 86 11.798 -8.285 3.945 1.00 0.00 C ATOM 1322 O GLY A 86 11.993 -7.075 3.836 1.00 0.00 O ATOM 0 H GLY A 86 9.092 -8.154 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.590 -9.994 3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.995 -9.013 2.099 1.00 0.00 H new ATOM 1326 N ASP A 87 12.513 -9.064 4.750 1.00 0.00 N ATOM 1327 CA ASP A 87 13.594 -8.529 5.569 1.00 0.00 C ATOM 1328 C ASP A 87 14.311 -7.393 4.847 1.00 0.00 C ATOM 1329 O ASP A 87 14.624 -6.364 5.446 1.00 0.00 O ATOM 1330 CB ASP A 87 14.590 -9.635 5.922 1.00 0.00 C ATOM 1331 CG ASP A 87 14.178 -10.413 7.156 1.00 0.00 C ATOM 1332 OD1 ASP A 87 12.961 -10.492 7.429 1.00 0.00 O ATOM 1333 OD2 ASP A 87 15.071 -10.945 7.848 1.00 0.00 O ATOM 0 H ASP A 87 12.363 -10.068 4.853 1.00 0.00 H new ATOM 0 HA ASP A 87 13.160 -8.135 6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.682 -10.319 5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.574 -9.195 6.085 1.00 0.00 H new ATOM 1338 N MET A 88 14.570 -7.587 3.558 1.00 0.00 N ATOM 1339 CA MET A 88 15.251 -6.578 2.755 1.00 0.00 C ATOM 1340 C MET A 88 14.761 -5.178 3.112 1.00 0.00 C ATOM 1341 O MET A 88 15.493 -4.387 3.707 1.00 0.00 O ATOM 1342 CB MET A 88 15.027 -6.845 1.266 1.00 0.00 C ATOM 1343 CG MET A 88 15.838 -5.935 0.357 1.00 0.00 C ATOM 1344 SD MET A 88 15.253 -5.956 -1.348 1.00 0.00 S ATOM 1345 CE MET A 88 16.339 -4.743 -2.094 1.00 0.00 C ATOM 0 H MET A 88 14.319 -8.433 3.047 1.00 0.00 H new ATOM 0 HA MET A 88 16.318 -6.636 2.971 1.00 0.00 H new ATOM 0 HB2 MET A 88 15.282 -7.882 1.049 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.968 -6.722 1.038 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.796 -4.915 0.739 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.884 -6.241 0.382 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.627 -5.077 -3.091 1.00 0.00 H new ATOM 0 HE2 MET A 88 15.821 -3.787 -2.168 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.231 -4.626 -1.478 1.00 0.00 H new ATOM 1355 N SER A 89 13.519 -4.879 2.745 1.00 0.00 N ATOM 1356 CA SER A 89 12.934 -3.572 3.023 1.00 0.00 C ATOM 1357 C SER A 89 12.638 -3.415 4.512 1.00 0.00 C ATOM 1358 O SER A 89 12.986 -2.405 5.123 1.00 0.00 O ATOM 1359 CB SER A 89 11.649 -3.383 2.214 1.00 0.00 C ATOM 1360 OG SER A 89 11.854 -3.708 0.850 1.00 0.00 O ATOM 0 H SER A 89 12.899 -5.523 2.255 1.00 0.00 H new ATOM 0 HA SER A 89 13.655 -2.809 2.731 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.860 -4.012 2.626 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.311 -2.350 2.298 1.00 0.00 H new ATOM 0 HG SER A 89 11.018 -4.046 0.465 1.00 0.00 H new ATOM 1366 N LYS A 90 11.993 -4.423 5.090 1.00 0.00 N ATOM 1367 CA LYS A 90 11.650 -4.400 6.507 1.00 0.00 C ATOM 1368 C LYS A 90 12.806 -3.851 7.337 1.00 0.00 C ATOM 1369 O LYS A 90 12.594 -3.243 8.387 1.00 0.00 O ATOM 1370 CB LYS A 90 11.287 -5.807 6.988 1.00 0.00 C ATOM 1371 CG LYS A 90 9.811 -6.137 6.843 1.00 0.00 C ATOM 1372 CD LYS A 90 9.555 -7.626 6.998 1.00 0.00 C ATOM 1373 CE LYS A 90 8.069 -7.926 7.122 1.00 0.00 C ATOM 1374 NZ LYS A 90 7.255 -7.091 6.197 1.00 0.00 N ATOM 0 H LYS A 90 11.697 -5.266 4.598 1.00 0.00 H new ATOM 0 HA LYS A 90 10.789 -3.745 6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.871 -6.536 6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.572 -5.909 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.239 -5.589 7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.457 -5.806 5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.964 -8.158 6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.077 -7.996 7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.893 -8.980 6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.747 -7.750 8.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.319 -7.527 6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.141 -6.138 6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.735 -7.024 5.277 1.00 0.00 H new ATOM 1388 N SER A 91 14.027 -4.066 6.860 1.00 0.00 N ATOM 1389 CA SER A 91 15.216 -3.594 7.560 1.00 0.00 C ATOM 1390 C SER A 91 15.492 -2.129 7.235 1.00 0.00 C ATOM 1391 O SER A 91 15.981 -1.377 8.077 1.00 0.00 O ATOM 1392 CB SER A 91 16.428 -4.448 7.183 1.00 0.00 C ATOM 1393 OG SER A 91 17.559 -4.101 7.964 1.00 0.00 O ATOM 0 H SER A 91 14.219 -4.564 5.991 1.00 0.00 H new ATOM 0 HA SER A 91 15.036 -3.683 8.631 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.193 -5.503 7.327 1.00 0.00 H new ATOM 0 HB3 SER A 91 16.657 -4.314 6.126 1.00 0.00 H new ATOM 0 HG SER A 91 18.320 -4.662 7.705 1.00 0.00 H new ATOM 1399 N ALA A 92 15.173 -1.731 6.008 1.00 0.00 N ATOM 1400 CA ALA A 92 15.384 -0.356 5.572 1.00 0.00 C ATOM 1401 C ALA A 92 14.418 0.595 6.269 1.00 0.00 C ATOM 1402 O ALA A 92 14.802 1.684 6.695 1.00 0.00 O ATOM 1403 CB ALA A 92 15.232 -0.253 4.061 1.00 0.00 C ATOM 0 H ALA A 92 14.768 -2.341 5.298 1.00 0.00 H new ATOM 0 HA ALA A 92 16.398 -0.065 5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.392 0.779 3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 92 15.966 -0.897 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.229 -0.567 3.774 1.00 0.00 H new ATOM 1409 N VAL A 93 13.161 0.177 6.381 1.00 0.00 N ATOM 1410 CA VAL A 93 12.139 0.993 7.028 1.00 0.00 C ATOM 1411 C VAL A 93 12.343 1.034 8.538 1.00 0.00 C ATOM 1412 O VAL A 93 11.805 1.903 9.224 1.00 0.00 O ATOM 1413 CB VAL A 93 10.725 0.463 6.726 1.00 0.00 C ATOM 1414 CG1 VAL A 93 10.431 0.544 5.236 1.00 0.00 C ATOM 1415 CG2 VAL A 93 10.571 -0.963 7.231 1.00 0.00 C ATOM 0 H VAL A 93 12.826 -0.721 6.033 1.00 0.00 H new ATOM 0 HA VAL A 93 12.236 2.001 6.624 1.00 0.00 H new ATOM 0 HB VAL A 93 10.002 1.089 7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.428 0.165 5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.497 1.581 4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.158 -0.056 4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.566 -1.321 7.009 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.302 -1.604 6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.735 -0.987 8.308 1.00 0.00 H new ATOM 1425 N ASP A 94 13.124 0.089 9.050 1.00 0.00 N ATOM 1426 CA ASP A 94 13.401 0.017 10.480 1.00 0.00 C ATOM 1427 C ASP A 94 14.602 0.885 10.845 1.00 0.00 C ATOM 1428 O ASP A 94 14.530 1.711 11.754 1.00 0.00 O ATOM 1429 CB ASP A 94 13.657 -1.431 10.900 1.00 0.00 C ATOM 1430 CG ASP A 94 14.024 -1.552 12.365 1.00 0.00 C ATOM 1431 OD1 ASP A 94 14.848 -0.742 12.839 1.00 0.00 O ATOM 1432 OD2 ASP A 94 13.490 -2.458 13.039 1.00 0.00 O ATOM 0 H ASP A 94 13.577 -0.638 8.496 1.00 0.00 H new ATOM 0 HA ASP A 94 12.528 0.393 11.013 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.766 -2.027 10.701 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.461 -1.846 10.292 1.00 0.00 H new ATOM 1483 N ASN A 99 16.275 7.418 3.399 1.00 0.00 N ATOM 1484 CA ASN A 99 15.070 6.993 2.694 1.00 0.00 C ATOM 1485 C ASN A 99 14.785 5.516 2.947 1.00 0.00 C ATOM 1486 O ASN A 99 15.611 4.644 2.678 1.00 0.00 O ATOM 1487 CB ASN A 99 15.217 7.247 1.192 1.00 0.00 C ATOM 1488 CG ASN A 99 16.049 8.479 0.892 1.00 0.00 C ATOM 1489 OD1 ASN A 99 15.569 9.607 1.002 1.00 0.00 O ATOM 1490 ND2 ASN A 99 17.303 8.267 0.512 1.00 0.00 N ATOM 0 HA ASN A 99 14.231 7.576 3.074 1.00 0.00 H new ATOM 0 HB2 ASN A 99 15.678 6.378 0.723 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.228 7.363 0.747 1.00 0.00 H new ATOM 0 HD21 ASN A 99 17.911 9.057 0.297 1.00 0.00 H new ATOM 0 HD22 ASN A 99 17.658 7.314 0.435 1.00 0.00 H new ATOM 1497 N PRO A 100 13.587 5.227 3.475 1.00 0.00 N ATOM 1498 CA PRO A 100 13.164 3.856 3.775 1.00 0.00 C ATOM 1499 C PRO A 100 12.913 3.038 2.512 1.00 0.00 C ATOM 1500 O PRO A 100 12.684 1.830 2.579 1.00 0.00 O ATOM 1501 CB PRO A 100 11.860 4.049 4.554 1.00 0.00 C ATOM 1502 CG PRO A 100 11.341 5.370 4.103 1.00 0.00 C ATOM 1503 CD PRO A 100 12.552 6.216 3.821 1.00 0.00 C ATOM 0 HA PRO A 100 13.927 3.305 4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.149 3.251 4.340 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.036 4.039 5.630 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.723 5.263 3.211 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.716 5.827 4.871 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.373 6.913 3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.838 6.810 4.689 1.00 0.00 H new ATOM 1511 N PHE A 101 12.959 3.703 1.363 1.00 0.00 N ATOM 1512 CA PHE A 101 12.736 3.037 0.085 1.00 0.00 C ATOM 1513 C PHE A 101 14.062 2.684 -0.583 1.00 0.00 C ATOM 1514 O PHE A 101 15.048 3.411 -0.454 1.00 0.00 O ATOM 1515 CB PHE A 101 11.907 3.929 -0.842 1.00 0.00 C ATOM 1516 CG PHE A 101 10.997 3.161 -1.757 1.00 0.00 C ATOM 1517 CD1 PHE A 101 9.852 2.554 -1.267 1.00 0.00 C ATOM 1518 CD2 PHE A 101 11.287 3.046 -3.107 1.00 0.00 C ATOM 1519 CE1 PHE A 101 9.012 1.847 -2.107 1.00 0.00 C ATOM 1520 CE2 PHE A 101 10.451 2.341 -3.951 1.00 0.00 C ATOM 1521 CZ PHE A 101 9.312 1.739 -3.450 1.00 0.00 C ATOM 0 H PHE A 101 13.149 4.703 1.290 1.00 0.00 H new ATOM 0 HA PHE A 101 12.188 2.114 0.276 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.310 4.612 -0.238 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.580 4.541 -1.442 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.613 2.634 -0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.176 3.513 -3.504 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.122 1.380 -1.713 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.687 2.260 -5.002 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.658 1.185 -4.108 1.00 0.00 H new ATOM 1531 N LEU A 102 14.079 1.564 -1.296 1.00 0.00 N ATOM 1532 CA LEU A 102 15.283 1.113 -1.984 1.00 0.00 C ATOM 1533 C LEU A 102 15.075 1.102 -3.495 1.00 0.00 C ATOM 1534 O LEU A 102 15.926 0.623 -4.245 1.00 0.00 O ATOM 1535 CB LEU A 102 15.677 -0.285 -1.502 1.00 0.00 C ATOM 1536 CG LEU A 102 15.995 -0.416 -0.012 1.00 0.00 C ATOM 1537 CD1 LEU A 102 14.715 -0.407 0.810 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.792 -1.685 0.253 1.00 0.00 C ATOM 0 H LEU A 102 13.272 0.951 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 102 16.087 1.811 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.866 -0.972 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.549 -0.611 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 102 16.601 0.439 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.961 -0.501 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.182 0.529 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 102 14.083 -1.243 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 102 17.010 -1.762 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 102 16.211 -2.552 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 102 17.727 -1.651 -0.307 1.00 0.00 H new ATOM 1550 N ASP A 103 13.940 1.635 -3.935 1.00 0.00 N ATOM 1551 CA ASP A 103 13.622 1.689 -5.357 1.00 0.00 C ATOM 1552 C ASP A 103 14.180 0.472 -6.086 1.00 0.00 C ATOM 1553 O ASP A 103 14.637 0.573 -7.224 1.00 0.00 O ATOM 1554 CB ASP A 103 14.180 2.971 -5.977 1.00 0.00 C ATOM 1555 CG ASP A 103 13.988 3.018 -7.480 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.109 2.291 -7.989 1.00 0.00 O ATOM 1557 OD2 ASP A 103 14.716 3.782 -8.147 1.00 0.00 O ATOM 0 H ASP A 103 13.225 2.036 -3.327 1.00 0.00 H new ATOM 0 HA ASP A 103 12.537 1.686 -5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.691 3.833 -5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.242 3.050 -5.747 1.00 0.00 H new ATOM 1562 N ASN A 104 14.140 -0.679 -5.422 1.00 0.00 N ATOM 1563 CA ASN A 104 14.644 -1.917 -6.007 1.00 0.00 C ATOM 1564 C ASN A 104 13.498 -2.868 -6.338 1.00 0.00 C ATOM 1565 O ASN A 104 12.457 -2.878 -5.680 1.00 0.00 O ATOM 1566 CB ASN A 104 15.624 -2.596 -5.048 1.00 0.00 C ATOM 1567 CG ASN A 104 16.976 -1.910 -5.022 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.437 -1.382 -6.035 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.620 -1.915 -3.861 1.00 0.00 N ATOM 0 H ASN A 104 13.764 -0.780 -4.479 1.00 0.00 H new ATOM 0 HA ASN A 104 15.164 -1.668 -6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.202 -2.599 -4.043 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.754 -3.637 -5.342 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.534 -1.469 -3.783 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.201 -2.364 -3.047 1.00 0.00 H new ATOM 1576 N PRO A 105 13.691 -3.687 -7.382 1.00 0.00 N ATOM 1577 CA PRO A 105 12.686 -4.658 -7.824 1.00 0.00 C ATOM 1578 C PRO A 105 12.511 -5.803 -6.832 1.00 0.00 C ATOM 1579 O PRO A 105 11.482 -6.479 -6.826 1.00 0.00 O ATOM 1580 CB PRO A 105 13.252 -5.178 -9.147 1.00 0.00 C ATOM 1581 CG PRO A 105 14.724 -4.973 -9.036 1.00 0.00 C ATOM 1582 CD PRO A 105 14.907 -3.729 -8.211 1.00 0.00 C ATOM 0 HA PRO A 105 11.697 -4.208 -7.916 1.00 0.00 H new ATOM 0 HB2 PRO A 105 13.009 -6.230 -9.295 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.839 -4.633 -9.996 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.203 -5.830 -8.562 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.178 -4.859 -10.021 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.808 -3.781 -7.600 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.997 -2.841 -8.837 1.00 0.00 H new ATOM 1590 N ASP A 106 13.521 -6.015 -5.996 1.00 0.00 N ATOM 1591 CA ASP A 106 13.478 -7.078 -4.999 1.00 0.00 C ATOM 1592 C ASP A 106 12.687 -6.638 -3.770 1.00 0.00 C ATOM 1593 O ASP A 106 12.122 -7.465 -3.055 1.00 0.00 O ATOM 1594 CB ASP A 106 14.895 -7.482 -4.591 1.00 0.00 C ATOM 1595 CG ASP A 106 15.650 -8.162 -5.716 1.00 0.00 C ATOM 1596 OD1 ASP A 106 16.057 -7.461 -6.665 1.00 0.00 O ATOM 1597 OD2 ASP A 106 15.832 -9.396 -5.648 1.00 0.00 O ATOM 0 H ASP A 106 14.380 -5.465 -5.989 1.00 0.00 H new ATOM 0 HA ASP A 106 12.977 -7.939 -5.443 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.444 -6.596 -4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.846 -8.153 -3.733 1.00 0.00 H new ATOM 1602 N ALA A 107 12.654 -5.331 -3.530 1.00 0.00 N ATOM 1603 CA ALA A 107 11.933 -4.782 -2.389 1.00 0.00 C ATOM 1604 C ALA A 107 10.431 -4.747 -2.654 1.00 0.00 C ATOM 1605 O ALA A 107 9.931 -3.850 -3.333 1.00 0.00 O ATOM 1606 CB ALA A 107 12.446 -3.387 -2.062 1.00 0.00 C ATOM 0 H ALA A 107 13.118 -4.633 -4.111 1.00 0.00 H new ATOM 0 HA ALA A 107 12.109 -5.432 -1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.898 -2.989 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.508 -3.437 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.300 -2.734 -2.923 1.00 0.00 H new ATOM 1612 N PHE A 108 9.717 -5.729 -2.114 1.00 0.00 N ATOM 1613 CA PHE A 108 8.272 -5.811 -2.293 1.00 0.00 C ATOM 1614 C PHE A 108 7.552 -4.841 -1.361 1.00 0.00 C ATOM 1615 O PHE A 108 8.115 -4.388 -0.364 1.00 0.00 O ATOM 1616 CB PHE A 108 7.785 -7.239 -2.036 1.00 0.00 C ATOM 1617 CG PHE A 108 8.467 -8.268 -2.891 1.00 0.00 C ATOM 1618 CD1 PHE A 108 8.569 -8.091 -4.262 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.005 -9.412 -2.325 1.00 0.00 C ATOM 1620 CE1 PHE A 108 9.196 -9.036 -5.052 1.00 0.00 C ATOM 1621 CE2 PHE A 108 9.634 -10.360 -3.110 1.00 0.00 C ATOM 1622 CZ PHE A 108 9.728 -10.172 -4.476 1.00 0.00 C ATOM 0 H PHE A 108 10.115 -6.479 -1.549 1.00 0.00 H new ATOM 0 HA PHE A 108 8.043 -5.536 -3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.946 -7.486 -0.987 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.711 -7.285 -2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.154 -7.204 -4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 108 8.932 -9.565 -1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 108 9.270 -8.886 -6.119 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.052 -11.247 -2.656 1.00 0.00 H new ATOM 0 HZ PHE A 108 10.217 -10.913 -5.092 1.00 0.00 H new ATOM 1632 N TYR A 109 6.306 -4.525 -1.694 1.00 0.00 N ATOM 1633 CA TYR A 109 5.509 -3.606 -0.890 1.00 0.00 C ATOM 1634 C TYR A 109 4.018 -3.821 -1.133 1.00 0.00 C ATOM 1635 O TYR A 109 3.588 -4.047 -2.264 1.00 0.00 O ATOM 1636 CB TYR A 109 5.885 -2.158 -1.209 1.00 0.00 C ATOM 1637 CG TYR A 109 7.352 -1.854 -1.003 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.868 -1.658 0.272 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.221 -1.763 -2.083 1.00 0.00 C ATOM 1640 CE1 TYR A 109 9.207 -1.379 0.465 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.562 -1.486 -1.899 1.00 0.00 C ATOM 1642 CZ TYR A 109 10.050 -1.294 -0.624 1.00 0.00 C ATOM 1643 OH TYR A 109 11.385 -1.018 -0.435 1.00 0.00 O ATOM 0 H TYR A 109 5.826 -4.892 -2.516 1.00 0.00 H new ATOM 0 HA TYR A 109 5.720 -3.807 0.160 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.620 -1.942 -2.244 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.293 -1.491 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.211 -1.725 1.127 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.842 -1.911 -3.083 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.592 -1.228 1.463 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.224 -1.420 -2.749 1.00 0.00 H new ATOM 0 HH TYR A 109 11.615 -1.146 0.509 1.00 0.00 H new ATOM 1653 N TYR A 110 3.235 -3.750 -0.062 1.00 0.00 N ATOM 1654 CA TYR A 110 1.792 -3.938 -0.157 1.00 0.00 C ATOM 1655 C TYR A 110 1.050 -2.880 0.653 1.00 0.00 C ATOM 1656 O TYR A 110 1.530 -2.427 1.693 1.00 0.00 O ATOM 1657 CB TYR A 110 1.406 -5.335 0.333 1.00 0.00 C ATOM 1658 CG TYR A 110 1.720 -5.573 1.793 1.00 0.00 C ATOM 1659 CD1 TYR A 110 0.817 -5.213 2.786 1.00 0.00 C ATOM 1660 CD2 TYR A 110 2.921 -6.155 2.180 1.00 0.00 C ATOM 1661 CE1 TYR A 110 1.099 -5.428 4.121 1.00 0.00 C ATOM 1662 CE2 TYR A 110 3.211 -6.375 3.513 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.298 -6.009 4.479 1.00 0.00 C ATOM 1664 OH TYR A 110 2.584 -6.225 5.808 1.00 0.00 O ATOM 0 H TYR A 110 3.575 -3.564 0.881 1.00 0.00 H new ATOM 0 HA TYR A 110 1.506 -3.835 -1.204 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.339 -5.486 0.170 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.928 -6.079 -0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.122 -4.757 2.509 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.640 -6.440 1.426 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.385 -5.143 4.880 1.00 0.00 H new ATOM 0 HE2 TYR A 110 4.148 -6.831 3.797 1.00 0.00 H new ATOM 0 HH TYR A 110 3.467 -6.643 5.889 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.124 -2.490 0.169 1.00 0.00 N ATOM 1675 CA PHE A 111 -0.934 -1.484 0.846 1.00 0.00 C ATOM 1676 C PHE A 111 -1.600 -2.068 2.089 1.00 0.00 C ATOM 1677 O PHE A 111 -1.909 -3.258 2.157 1.00 0.00 O ATOM 1678 CB PHE A 111 -1.998 -0.931 -0.104 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.436 -0.405 -1.393 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.389 0.504 -1.388 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.952 -0.819 -2.610 1.00 0.00 C ATOM 1682 CE1 PHE A 111 0.130 0.990 -2.573 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.437 -0.337 -3.798 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.394 0.568 -3.780 1.00 0.00 C ATOM 0 H PHE A 111 -0.536 -2.855 -0.690 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.276 -0.672 1.155 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.720 -1.717 -0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.542 -0.132 0.399 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.026 0.836 -0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.767 -1.527 -2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.944 1.699 -2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.850 -0.668 -4.740 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.011 0.945 -4.707 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.827 -1.212 3.096 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.458 -1.620 4.355 1.00 0.00 C ATOM 1696 C PRO A 112 -3.934 -1.958 4.180 1.00 0.00 C ATOM 1697 O PRO A 112 -4.399 -3.004 4.634 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.293 -0.389 5.250 1.00 0.00 C ATOM 1699 CG PRO A 112 -2.184 0.756 4.302 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.485 0.220 3.084 1.00 0.00 C ATOM 0 HA PRO A 112 -2.006 -2.524 4.763 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.145 -0.269 5.919 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.404 -0.471 5.876 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.169 1.146 4.046 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.621 1.577 4.745 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.833 0.708 2.174 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.408 0.376 3.138 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.666 -1.068 3.520 1.00 0.00 N ATOM 1709 CA ASP A 113 -6.090 -1.273 3.284 1.00 0.00 C ATOM 1710 C ASP A 113 -6.330 -2.544 2.476 1.00 0.00 C ATOM 1711 O ASP A 113 -7.155 -3.380 2.845 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.686 -0.069 2.552 1.00 0.00 C ATOM 1713 CG ASP A 113 -8.097 -0.330 2.062 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -9.000 -0.487 2.910 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -8.298 -0.377 0.830 1.00 0.00 O ATOM 0 H ASP A 113 -4.297 -0.197 3.139 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.581 -1.381 4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.690 0.793 3.219 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -6.051 0.187 1.704 1.00 0.00 H new ATOM 1720 N SER A 114 -5.603 -2.684 1.372 1.00 0.00 N ATOM 1721 CA SER A 114 -5.740 -3.851 0.509 1.00 0.00 C ATOM 1722 C SER A 114 -5.634 -5.140 1.318 1.00 0.00 C ATOM 1723 O SER A 114 -5.283 -5.120 2.497 1.00 0.00 O ATOM 1724 CB SER A 114 -4.669 -3.833 -0.584 1.00 0.00 C ATOM 1725 OG SER A 114 -5.084 -3.053 -1.692 1.00 0.00 O ATOM 0 H SER A 114 -4.913 -2.003 1.054 1.00 0.00 H new ATOM 0 HA SER A 114 -6.725 -3.814 0.043 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.740 -3.431 -0.180 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.461 -4.852 -0.910 1.00 0.00 H new ATOM 0 HG SER A 114 -4.382 -3.056 -2.376 1.00 0.00 H new ATOM 1731 N GLY A 115 -5.942 -6.263 0.675 1.00 0.00 N ATOM 1732 CA GLY A 115 -5.876 -7.546 1.349 1.00 0.00 C ATOM 1733 C GLY A 115 -4.659 -8.353 0.942 1.00 0.00 C ATOM 1734 O GLY A 115 -4.725 -9.168 0.022 1.00 0.00 O ATOM 0 H GLY A 115 -6.236 -6.306 -0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.858 -7.386 2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.778 -8.117 1.126 1.00 0.00 H new ATOM 1738 N PHE A 116 -3.544 -8.125 1.628 1.00 0.00 N ATOM 1739 CA PHE A 116 -2.306 -8.835 1.331 1.00 0.00 C ATOM 1740 C PHE A 116 -2.184 -10.096 2.183 1.00 0.00 C ATOM 1741 O PHE A 116 -2.732 -10.171 3.283 1.00 0.00 O ATOM 1742 CB PHE A 116 -1.100 -7.925 1.573 1.00 0.00 C ATOM 1743 CG PHE A 116 0.175 -8.675 1.833 1.00 0.00 C ATOM 1744 CD1 PHE A 116 0.993 -9.061 0.784 1.00 0.00 C ATOM 1745 CD2 PHE A 116 0.555 -8.993 3.127 1.00 0.00 C ATOM 1746 CE1 PHE A 116 2.167 -9.752 1.021 1.00 0.00 C ATOM 1747 CE2 PHE A 116 1.728 -9.683 3.370 1.00 0.00 C ATOM 1748 CZ PHE A 116 2.535 -10.062 2.316 1.00 0.00 C ATOM 0 H PHE A 116 -3.473 -7.454 2.393 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.328 -9.127 0.281 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -0.962 -7.280 0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.310 -7.276 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 116 0.711 -8.820 -0.230 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.072 -8.698 3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 116 2.796 -10.049 0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 116 2.013 -9.925 4.383 1.00 0.00 H new ATOM 0 HZ PHE A 116 3.453 -10.600 2.504 1.00 0.00 H new ATOM 1758 N PHE A 117 -1.462 -11.085 1.665 1.00 0.00 N ATOM 1759 CA PHE A 117 -1.269 -12.343 2.376 1.00 0.00 C ATOM 1760 C PHE A 117 -0.077 -13.110 1.812 1.00 0.00 C ATOM 1761 O PHE A 117 0.003 -13.354 0.607 1.00 0.00 O ATOM 1762 CB PHE A 117 -2.532 -13.203 2.286 1.00 0.00 C ATOM 1763 CG PHE A 117 -2.585 -14.063 1.056 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -1.918 -15.276 1.013 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -3.302 -13.657 -0.058 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -1.965 -16.069 -0.118 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -3.353 -14.446 -1.192 1.00 0.00 C ATOM 1768 CZ PHE A 117 -2.684 -15.654 -1.222 1.00 0.00 C ATOM 0 H PHE A 117 -1.001 -11.039 0.756 1.00 0.00 H new ATOM 0 HA PHE A 117 -1.068 -12.113 3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.591 -13.840 3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.407 -12.553 2.303 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -1.355 -15.606 1.873 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.827 -12.713 -0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -1.440 -17.013 -0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.915 -14.118 -2.054 1.00 0.00 H new ATOM 0 HZ PHE A 117 -2.723 -16.273 -2.106 1.00 0.00 H new ATOM 1778 N CYS A 118 0.847 -13.485 2.690 1.00 0.00 N ATOM 1779 CA CYS A 118 2.037 -14.222 2.279 1.00 0.00 C ATOM 1780 C CYS A 118 1.923 -15.694 2.662 1.00 0.00 C ATOM 1781 O CYS A 118 1.941 -16.041 3.843 1.00 0.00 O ATOM 1782 CB CYS A 118 3.285 -13.612 2.918 1.00 0.00 C ATOM 1783 SG CYS A 118 4.705 -14.729 2.977 1.00 0.00 S ATOM 0 H CYS A 118 0.795 -13.291 3.690 1.00 0.00 H new ATOM 0 HA CYS A 118 2.122 -14.153 1.195 1.00 0.00 H new ATOM 0 HB2 CYS A 118 3.564 -12.716 2.363 1.00 0.00 H new ATOM 0 HB3 CYS A 118 3.043 -13.295 3.933 1.00 0.00 H new ATOM 0 HG CYS A 118 5.712 -14.122 3.532 1.00 0.00 H new ATOM 1789 N GLU A 119 1.803 -16.554 1.656 1.00 0.00 N ATOM 1790 CA GLU A 119 1.683 -17.989 1.888 1.00 0.00 C ATOM 1791 C GLU A 119 3.059 -18.636 2.014 1.00 0.00 C ATOM 1792 O GLU A 119 3.946 -18.397 1.195 1.00 0.00 O ATOM 1793 CB GLU A 119 0.899 -18.648 0.752 1.00 0.00 C ATOM 1794 CG GLU A 119 1.505 -18.415 -0.622 1.00 0.00 C ATOM 1795 CD GLU A 119 0.839 -19.245 -1.702 1.00 0.00 C ATOM 1796 OE1 GLU A 119 -0.404 -19.189 -1.812 1.00 0.00 O ATOM 1797 OE2 GLU A 119 1.561 -19.950 -2.437 1.00 0.00 O ATOM 0 H GLU A 119 1.786 -16.283 0.673 1.00 0.00 H new ATOM 0 HA GLU A 119 1.144 -18.136 2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.841 -19.721 0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.122 -18.267 0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.421 -17.359 -0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.568 -18.652 -0.591 1.00 0.00 H new