USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.0055) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot -19:sc= 0.244 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -4.33! C(o=-4.3!,f=-5.4!) USER MOD Single : A 25 THR OG1 : rot -44:sc= 1.36 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 162:sc=-0.00088 (180deg=-0.391) USER MOD Single : A 51 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.2!) USER MOD Single : A 54 HIS : no HD1:sc= -0.0492 X(o=-0.049,f=-0.016) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0286 K(o=-0.029,f=-2.3!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.21) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 65:sc= 1.3 USER MOD Single : A 80 SER OG : rot 26:sc= 1.26 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.67 USER MOD Single : A 92 HIS : no HD1:sc= -0.0024 X(o=-0.0024,f=0) USER MOD Single : A 95 LYS NZ :NH3+ -132:sc= -0.204 (180deg=-2.47!) USER MOD Single : A 97 ASN : amide:sc= -1.77! K(o=-1.8!,f=-0.71) USER MOD Single : A 98 LYS NZ :NH3+ 155:sc= 0.00473 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= 0.0693 K(o=0.069,f=-2.8!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 108 SER OG : rot 147:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 142 N ASN A 13 -10.236 -4.824 10.004 1.00 0.00 N ATOM 143 CA ASN A 13 -10.722 -5.555 8.840 1.00 0.00 C ATOM 144 C ASN A 13 -9.736 -5.448 7.680 1.00 0.00 C ATOM 145 O ASN A 13 -10.133 -5.407 6.516 1.00 0.00 O ATOM 146 CB ASN A 13 -12.090 -5.020 8.411 1.00 0.00 C ATOM 147 CG ASN A 13 -13.157 -5.252 9.465 1.00 0.00 C ATOM 148 OD1 ASN A 13 -13.762 -6.322 9.526 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.391 -4.246 10.300 1.00 0.00 N ATOM 0 HA ASN A 13 -10.819 -6.605 9.116 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.012 -3.952 8.206 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.391 -5.502 7.481 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.097 -4.343 11.030 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.865 -3.377 10.212 1.00 0.00 H new ATOM 156 N GLY A 14 -8.448 -5.403 8.007 1.00 0.00 N ATOM 157 CA GLY A 14 -7.426 -5.302 6.982 1.00 0.00 C ATOM 158 C GLY A 14 -6.696 -6.612 6.760 1.00 0.00 C ATOM 159 O GLY A 14 -7.271 -7.687 6.926 1.00 0.00 O ATOM 0 H GLY A 14 -8.094 -5.435 8.963 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.885 -4.982 6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.707 -4.533 7.264 1.00 0.00 H new ATOM 163 N ALA A 15 -5.425 -6.522 6.382 1.00 0.00 N ATOM 164 CA ALA A 15 -4.615 -7.710 6.138 1.00 0.00 C ATOM 165 C ALA A 15 -3.176 -7.496 6.592 1.00 0.00 C ATOM 166 O ALA A 15 -2.492 -6.589 6.117 1.00 0.00 O ATOM 167 CB ALA A 15 -4.655 -8.081 4.663 1.00 0.00 C ATOM 0 H ALA A 15 -4.934 -5.640 6.238 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.034 -8.531 6.720 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.046 -8.969 4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.684 -8.285 4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.263 -7.255 4.069 1.00 0.00 H new ATOM 173 N ASP A 16 -2.721 -8.335 7.516 1.00 0.00 N ATOM 174 CA ASP A 16 -1.362 -8.238 8.035 1.00 0.00 C ATOM 175 C ASP A 16 -0.371 -8.914 7.093 1.00 0.00 C ATOM 176 O ASP A 16 -0.305 -10.142 7.021 1.00 0.00 O ATOM 177 CB ASP A 16 -1.277 -8.872 9.425 1.00 0.00 C ATOM 178 CG ASP A 16 0.153 -9.122 9.861 1.00 0.00 C ATOM 179 OD1 ASP A 16 0.926 -8.145 9.949 1.00 0.00 O ATOM 180 OD2 ASP A 16 0.499 -10.294 10.115 1.00 0.00 O ATOM 0 H ASP A 16 -3.274 -9.090 7.921 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.103 -7.182 8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.766 -8.220 10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.824 -9.815 9.425 1.00 0.00 H new ATOM 185 N LEU A 17 0.398 -8.106 6.372 1.00 0.00 N ATOM 186 CA LEU A 17 1.386 -8.626 5.433 1.00 0.00 C ATOM 187 C LEU A 17 2.803 -8.386 5.945 1.00 0.00 C ATOM 188 O LEU A 17 3.067 -7.448 6.697 1.00 0.00 O ATOM 189 CB LEU A 17 1.209 -7.970 4.062 1.00 0.00 C ATOM 190 CG LEU A 17 -0.215 -7.551 3.697 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.195 -6.397 2.708 1.00 0.00 C ATOM 192 CD2 LEU A 17 -0.989 -8.731 3.127 1.00 0.00 C ATOM 0 H LEU A 17 0.357 -7.088 6.419 1.00 0.00 H new ATOM 0 HA LEU A 17 1.231 -9.701 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.848 -7.088 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.569 -8.663 3.301 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.718 -7.216 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.218 -6.113 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.321 -5.546 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.326 -6.704 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.000 -8.414 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.487 -9.097 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.034 -9.529 3.868 1.00 0.00 H new ATOM 204 N PRO A 18 3.738 -9.252 5.526 1.00 0.00 N ATOM 205 CA PRO A 18 5.144 -9.154 5.927 1.00 0.00 C ATOM 206 C PRO A 18 5.842 -7.949 5.305 1.00 0.00 C ATOM 207 O PRO A 18 6.826 -7.445 5.843 1.00 0.00 O ATOM 208 CB PRO A 18 5.755 -10.455 5.402 1.00 0.00 C ATOM 209 CG PRO A 18 4.878 -10.852 4.264 1.00 0.00 C ATOM 210 CD PRO A 18 3.494 -10.393 4.628 1.00 0.00 C ATOM 0 HA PRO A 18 5.252 -9.021 7.003 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.784 -10.306 5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.774 -11.224 6.174 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.211 -10.389 3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.903 -11.931 4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.924 -10.096 3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.927 -11.181 5.124 1.00 0.00 H new ATOM 218 N ASN A 19 5.324 -7.492 4.170 1.00 0.00 N ATOM 219 CA ASN A 19 5.898 -6.346 3.475 1.00 0.00 C ATOM 220 C ASN A 19 5.335 -5.039 4.024 1.00 0.00 C ATOM 221 O ASN A 19 6.042 -4.035 4.114 1.00 0.00 O ATOM 222 CB ASN A 19 5.621 -6.442 1.973 1.00 0.00 C ATOM 223 CG ASN A 19 6.688 -7.229 1.237 1.00 0.00 C ATOM 224 OD1 ASN A 19 6.726 -8.458 1.304 1.00 0.00 O ATOM 225 ND2 ASN A 19 7.562 -6.523 0.530 1.00 0.00 N ATOM 0 H ASN A 19 4.508 -7.898 3.712 1.00 0.00 H new ATOM 0 HA ASN A 19 6.975 -6.355 3.640 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.651 -6.914 1.815 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.559 -5.438 1.553 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.303 -6.998 0.014 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.493 -5.506 0.503 1.00 0.00 H new ATOM 232 N TYR A 20 4.059 -5.059 4.391 1.00 0.00 N ATOM 233 CA TYR A 20 3.400 -3.876 4.931 1.00 0.00 C ATOM 234 C TYR A 20 2.021 -4.224 5.483 1.00 0.00 C ATOM 235 O TYR A 20 1.378 -5.170 5.027 1.00 0.00 O ATOM 236 CB TYR A 20 3.272 -2.800 3.850 1.00 0.00 C ATOM 237 CG TYR A 20 2.800 -3.335 2.517 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.477 -3.713 2.327 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.677 -3.462 1.447 1.00 0.00 C ATOM 240 CE1 TYR A 20 1.041 -4.203 1.111 1.00 0.00 C ATOM 241 CE2 TYR A 20 3.250 -3.948 0.227 1.00 0.00 C ATOM 242 CZ TYR A 20 1.931 -4.318 0.064 1.00 0.00 C ATOM 243 OH TYR A 20 1.502 -4.804 -1.150 1.00 0.00 O ATOM 0 H TYR A 20 3.460 -5.882 4.324 1.00 0.00 H new ATOM 0 HA TYR A 20 4.012 -3.492 5.747 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.576 -2.034 4.192 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.239 -2.315 3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.777 -3.622 3.144 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.711 -3.176 1.572 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.009 -4.494 0.981 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.945 -4.038 -0.595 1.00 0.00 H new ATOM 0 HH TYR A 20 0.664 -5.297 -1.027 1.00 0.00 H new ATOM 253 N ARG A 21 1.572 -3.451 6.466 1.00 0.00 N ATOM 254 CA ARG A 21 0.269 -3.677 7.082 1.00 0.00 C ATOM 255 C ARG A 21 -0.671 -2.506 6.810 1.00 0.00 C ATOM 256 O ARG A 21 -0.278 -1.344 6.917 1.00 0.00 O ATOM 257 CB ARG A 21 0.423 -3.882 8.590 1.00 0.00 C ATOM 258 CG ARG A 21 1.157 -2.748 9.287 1.00 0.00 C ATOM 259 CD ARG A 21 1.453 -3.086 10.740 1.00 0.00 C ATOM 260 NE ARG A 21 0.233 -3.214 11.531 1.00 0.00 N ATOM 261 CZ ARG A 21 0.206 -3.703 12.766 1.00 0.00 C ATOM 262 NH1 ARG A 21 1.327 -4.107 13.347 1.00 0.00 N ATOM 263 NH2 ARG A 21 -0.944 -3.788 13.423 1.00 0.00 N ATOM 0 H ARG A 21 2.091 -2.663 6.853 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.162 -4.576 6.642 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.565 -3.992 9.036 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.959 -4.814 8.769 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.090 -2.541 8.763 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.556 -1.840 9.239 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.016 -4.018 10.788 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.085 -2.310 11.171 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.647 -2.912 11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.213 -4.043 12.846 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.303 -4.482 14.295 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.809 -3.478 12.980 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.963 -4.164 14.371 1.00 0.00 H new ATOM 277 N TRP A 22 -1.912 -2.820 6.458 1.00 0.00 N ATOM 278 CA TRP A 22 -2.908 -1.794 6.170 1.00 0.00 C ATOM 279 C TRP A 22 -4.277 -2.199 6.704 1.00 0.00 C ATOM 280 O TRP A 22 -4.685 -3.355 6.583 1.00 0.00 O ATOM 281 CB TRP A 22 -2.989 -1.541 4.663 1.00 0.00 C ATOM 282 CG TRP A 22 -3.458 -2.733 3.885 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.687 -3.582 3.143 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.804 -3.207 3.771 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.473 -4.555 2.575 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.776 -4.348 2.945 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.030 -2.780 4.288 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -5.926 -5.063 2.625 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.171 -3.491 3.969 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.113 -4.623 3.145 1.00 0.00 C ATOM 0 H TRP A 22 -2.253 -3.777 6.365 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.601 -0.875 6.670 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.665 -0.706 4.478 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.006 -1.242 4.299 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.617 -3.500 3.021 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.140 -5.310 1.975 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.085 -1.910 4.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.883 -5.935 1.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.124 -3.169 4.362 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.022 -5.158 2.916 1.00 0.00 H new ATOM 301 N THR A 23 -4.983 -1.241 7.297 1.00 0.00 N ATOM 302 CA THR A 23 -6.307 -1.499 7.851 1.00 0.00 C ATOM 303 C THR A 23 -7.365 -0.640 7.169 1.00 0.00 C ATOM 304 O THR A 23 -7.090 0.485 6.752 1.00 0.00 O ATOM 305 CB THR A 23 -6.343 -1.231 9.367 1.00 0.00 C ATOM 306 OG1 THR A 23 -5.637 -0.022 9.668 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.726 -2.389 10.136 1.00 0.00 C ATOM 0 H THR A 23 -4.660 -0.280 7.406 1.00 0.00 H new ATOM 0 HA THR A 23 -6.526 -2.551 7.670 1.00 0.00 H new ATOM 0 HB THR A 23 -7.385 -1.128 9.671 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.666 0.142 10.634 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.763 -2.177 11.205 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.284 -3.302 9.928 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.689 -2.519 9.827 1.00 0.00 H new ATOM 315 N GLN A 24 -8.576 -1.177 7.059 1.00 0.00 N ATOM 316 CA GLN A 24 -9.676 -0.458 6.427 1.00 0.00 C ATOM 317 C GLN A 24 -10.859 -0.325 7.381 1.00 0.00 C ATOM 318 O GLN A 24 -11.187 -1.258 8.115 1.00 0.00 O ATOM 319 CB GLN A 24 -10.114 -1.175 5.149 1.00 0.00 C ATOM 320 CG GLN A 24 -11.034 -2.358 5.400 1.00 0.00 C ATOM 321 CD GLN A 24 -10.895 -3.440 4.347 1.00 0.00 C ATOM 322 OE1 GLN A 24 -10.215 -3.255 3.337 1.00 0.00 O ATOM 323 NE2 GLN A 24 -11.539 -4.578 4.578 1.00 0.00 N ATOM 0 H GLN A 24 -8.820 -2.107 7.399 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.325 0.542 6.172 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.621 -0.463 4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.229 -1.521 4.615 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.816 -2.781 6.381 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.067 -2.011 5.425 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.091 -4.688 5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.481 -5.342 3.905 1.00 0.00 H new ATOM 332 N THR A 25 -11.496 0.841 7.366 1.00 0.00 N ATOM 333 CA THR A 25 -12.642 1.097 8.230 1.00 0.00 C ATOM 334 C THR A 25 -13.742 1.840 7.479 1.00 0.00 C ATOM 335 O THR A 25 -13.465 2.680 6.622 1.00 0.00 O ATOM 336 CB THR A 25 -12.238 1.918 9.469 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.906 3.257 9.084 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.053 1.280 10.178 1.00 0.00 C ATOM 0 H THR A 25 -11.238 1.624 6.765 1.00 0.00 H new ATOM 0 HA THR A 25 -13.018 0.126 8.553 1.00 0.00 H new ATOM 0 HB THR A 25 -13.084 1.938 10.156 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.348 3.237 8.279 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.786 1.877 11.050 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.319 0.272 10.497 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.204 1.233 9.496 1.00 0.00 H new ATOM 346 N LEU A 26 -14.990 1.525 7.807 1.00 0.00 N ATOM 347 CA LEU A 26 -16.134 2.164 7.164 1.00 0.00 C ATOM 348 C LEU A 26 -15.853 3.639 6.894 1.00 0.00 C ATOM 349 O LEU A 26 -16.394 4.222 5.955 1.00 0.00 O ATOM 350 CB LEU A 26 -17.381 2.021 8.038 1.00 0.00 C ATOM 351 CG LEU A 26 -18.234 0.776 7.792 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.319 0.655 8.850 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.847 0.817 6.399 1.00 0.00 C ATOM 0 H LEU A 26 -15.236 0.832 8.514 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.308 1.666 6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.070 2.023 9.083 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.007 2.901 7.890 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.591 -0.101 7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.916 -0.237 8.659 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.859 0.579 9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.961 1.535 8.815 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.451 -0.077 6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.477 1.702 6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.053 0.855 5.653 1.00 0.00 H new ATOM 365 N ALA A 27 -15.003 4.235 7.724 1.00 0.00 N ATOM 366 CA ALA A 27 -14.648 5.641 7.572 1.00 0.00 C ATOM 367 C ALA A 27 -13.596 5.827 6.485 1.00 0.00 C ATOM 368 O ALA A 27 -13.870 6.411 5.437 1.00 0.00 O ATOM 369 CB ALA A 27 -14.149 6.204 8.895 1.00 0.00 C ATOM 0 H ALA A 27 -14.548 3.767 8.508 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.543 6.186 7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.887 7.254 8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.932 6.114 9.647 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.269 5.648 9.219 1.00 0.00 H new ATOM 375 N GLU A 28 -12.391 5.327 6.741 1.00 0.00 N ATOM 376 CA GLU A 28 -11.297 5.440 5.784 1.00 0.00 C ATOM 377 C GLU A 28 -10.335 4.263 5.914 1.00 0.00 C ATOM 378 O GLU A 28 -10.509 3.396 6.772 1.00 0.00 O ATOM 379 CB GLU A 28 -10.543 6.755 5.991 1.00 0.00 C ATOM 380 CG GLU A 28 -10.133 7.001 7.433 1.00 0.00 C ATOM 381 CD GLU A 28 -11.185 7.759 8.218 1.00 0.00 C ATOM 382 OE1 GLU A 28 -11.944 8.533 7.597 1.00 0.00 O ATOM 383 OE2 GLU A 28 -11.251 7.579 9.452 1.00 0.00 O ATOM 0 H GLU A 28 -12.148 4.840 7.603 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.724 5.428 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.652 6.756 5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.170 7.581 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.941 6.045 7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.198 7.561 7.450 1.00 0.00 H new ATOM 390 N LEU A 29 -9.321 4.238 5.057 1.00 0.00 N ATOM 391 CA LEU A 29 -8.330 3.167 5.075 1.00 0.00 C ATOM 392 C LEU A 29 -6.976 3.686 5.549 1.00 0.00 C ATOM 393 O LEU A 29 -6.749 4.895 5.608 1.00 0.00 O ATOM 394 CB LEU A 29 -8.193 2.549 3.683 1.00 0.00 C ATOM 395 CG LEU A 29 -7.808 1.070 3.640 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.398 0.400 2.409 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.294 0.912 3.661 1.00 0.00 C ATOM 0 H LEU A 29 -9.163 4.947 4.341 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.670 2.402 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.140 2.673 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.445 3.115 3.128 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.217 0.582 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.113 -0.652 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.485 0.481 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.020 0.890 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.038 -0.147 3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.864 1.415 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.895 1.355 4.573 1.00 0.00 H new ATOM 409 N ASP A 30 -6.079 2.765 5.883 1.00 0.00 N ATOM 410 CA ASP A 30 -4.746 3.129 6.349 1.00 0.00 C ATOM 411 C ASP A 30 -3.714 2.099 5.900 1.00 0.00 C ATOM 412 O ASP A 30 -3.922 0.893 6.043 1.00 0.00 O ATOM 413 CB ASP A 30 -4.731 3.254 7.873 1.00 0.00 C ATOM 414 CG ASP A 30 -5.122 4.641 8.344 1.00 0.00 C ATOM 415 OD1 ASP A 30 -6.335 4.899 8.486 1.00 0.00 O ATOM 416 OD2 ASP A 30 -4.214 5.469 8.569 1.00 0.00 O ATOM 0 H ASP A 30 -6.251 1.760 5.840 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.486 4.093 5.911 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.415 2.522 8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.735 3.015 8.244 1.00 0.00 H new ATOM 421 N LEU A 31 -2.602 2.581 5.356 1.00 0.00 N ATOM 422 CA LEU A 31 -1.537 1.702 4.885 1.00 0.00 C ATOM 423 C LEU A 31 -0.213 2.041 5.561 1.00 0.00 C ATOM 424 O LEU A 31 0.170 3.207 5.650 1.00 0.00 O ATOM 425 CB LEU A 31 -1.391 1.814 3.367 1.00 0.00 C ATOM 426 CG LEU A 31 -0.003 1.509 2.802 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.404 0.080 3.128 1.00 0.00 C ATOM 428 CD2 LEU A 31 0.024 1.743 1.299 1.00 0.00 C ATOM 0 H LEU A 31 -2.414 3.576 5.230 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.804 0.677 5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.107 1.137 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.669 2.825 3.069 1.00 0.00 H new ATOM 0 HG LEU A 31 0.714 2.185 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.394 -0.119 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.425 -0.055 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.315 -0.612 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.019 1.521 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.705 1.092 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.223 2.784 1.088 1.00 0.00 H new ATOM 440 N ALA A 32 0.484 1.013 6.035 1.00 0.00 N ATOM 441 CA ALA A 32 1.768 1.202 6.699 1.00 0.00 C ATOM 442 C ALA A 32 2.851 0.343 6.054 1.00 0.00 C ATOM 443 O ALA A 32 2.752 -0.884 6.029 1.00 0.00 O ATOM 444 CB ALA A 32 1.649 0.879 8.181 1.00 0.00 C ATOM 0 H ALA A 32 0.181 0.041 5.971 1.00 0.00 H new ATOM 0 HA ALA A 32 2.056 2.248 6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.615 1.025 8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.912 1.538 8.639 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.335 -0.158 8.303 1.00 0.00 H new ATOM 450 N VAL A 33 3.885 0.995 5.532 1.00 0.00 N ATOM 451 CA VAL A 33 4.987 0.291 4.887 1.00 0.00 C ATOM 452 C VAL A 33 6.284 0.468 5.668 1.00 0.00 C ATOM 453 O VAL A 33 7.000 1.458 5.516 1.00 0.00 O ATOM 454 CB VAL A 33 5.199 0.784 3.443 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.436 0.139 2.835 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.968 0.497 2.597 1.00 0.00 C ATOM 0 H VAL A 33 3.983 2.010 5.543 1.00 0.00 H new ATOM 0 HA VAL A 33 4.719 -0.765 4.867 1.00 0.00 H new ATOM 0 HB VAL A 33 5.354 1.863 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.570 0.499 1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.312 0.399 3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.314 -0.944 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.135 0.852 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.780 -0.577 2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.106 1.010 3.023 1.00 0.00 H new ATOM 466 N PRO A 34 6.596 -0.515 6.527 1.00 0.00 N ATOM 467 CA PRO A 34 7.810 -0.492 7.349 1.00 0.00 C ATOM 468 C PRO A 34 9.075 -0.680 6.520 1.00 0.00 C ATOM 469 O PRO A 34 9.196 -1.644 5.763 1.00 0.00 O ATOM 470 CB PRO A 34 7.614 -1.673 8.303 1.00 0.00 C ATOM 471 CG PRO A 34 6.699 -2.598 7.577 1.00 0.00 C ATOM 472 CD PRO A 34 5.789 -1.724 6.760 1.00 0.00 C ATOM 0 HA PRO A 34 7.942 0.465 7.855 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.563 -2.156 8.535 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.181 -1.350 9.250 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.260 -3.281 6.939 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.128 -3.210 8.275 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.505 -2.204 5.824 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.866 -1.495 7.293 1.00 0.00 H new ATOM 480 N PHE A 35 10.017 0.246 6.667 1.00 0.00 N ATOM 481 CA PHE A 35 11.274 0.182 5.930 1.00 0.00 C ATOM 482 C PHE A 35 12.452 -0.004 6.882 1.00 0.00 C ATOM 483 O PHE A 35 12.749 0.870 7.698 1.00 0.00 O ATOM 484 CB PHE A 35 11.469 1.452 5.100 1.00 0.00 C ATOM 485 CG PHE A 35 10.470 1.601 3.988 1.00 0.00 C ATOM 486 CD1 PHE A 35 10.684 0.994 2.761 1.00 0.00 C ATOM 487 CD2 PHE A 35 9.317 2.347 4.171 1.00 0.00 C ATOM 488 CE1 PHE A 35 9.767 1.130 1.737 1.00 0.00 C ATOM 489 CE2 PHE A 35 8.396 2.486 3.149 1.00 0.00 C ATOM 490 CZ PHE A 35 8.621 1.876 1.931 1.00 0.00 C ATOM 0 H PHE A 35 9.934 1.050 7.290 1.00 0.00 H new ATOM 0 HA PHE A 35 11.231 -0.677 5.260 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.402 2.319 5.757 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.474 1.449 4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.578 0.408 2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.136 2.825 5.122 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.946 0.653 0.785 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.501 3.071 3.303 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.902 1.982 1.132 1.00 0.00 H new ATOM 500 N ARG A 36 13.121 -1.147 6.771 1.00 0.00 N ATOM 501 CA ARG A 36 14.265 -1.448 7.622 1.00 0.00 C ATOM 502 C ARG A 36 15.377 -0.422 7.423 1.00 0.00 C ATOM 503 O ARG A 36 16.359 -0.682 6.728 1.00 0.00 O ATOM 504 CB ARG A 36 14.794 -2.853 7.324 1.00 0.00 C ATOM 505 CG ARG A 36 14.111 -3.945 8.131 1.00 0.00 C ATOM 506 CD ARG A 36 14.185 -5.289 7.423 1.00 0.00 C ATOM 507 NE ARG A 36 15.465 -5.956 7.650 1.00 0.00 N ATOM 508 CZ ARG A 36 15.876 -7.012 6.956 1.00 0.00 C ATOM 509 NH1 ARG A 36 15.113 -7.517 5.997 1.00 0.00 N ATOM 510 NH2 ARG A 36 17.053 -7.564 7.221 1.00 0.00 N ATOM 0 H ARG A 36 12.890 -1.880 6.100 1.00 0.00 H new ATOM 0 HA ARG A 36 13.935 -1.403 8.660 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.665 -3.063 6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.865 -2.879 7.526 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.581 -4.023 9.111 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.068 -3.677 8.298 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.375 -5.929 7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.036 -5.144 6.353 1.00 0.00 H new ATOM 0 HE ARG A 36 16.076 -5.591 8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.208 -7.095 5.790 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.431 -8.328 5.466 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.643 -7.178 7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.368 -8.375 6.688 1.00 0.00 H new ATOM 524 N VAL A 37 15.214 0.746 8.036 1.00 0.00 N ATOM 525 CA VAL A 37 16.203 1.812 7.926 1.00 0.00 C ATOM 526 C VAL A 37 16.737 2.209 9.298 1.00 0.00 C ATOM 527 O VAL A 37 16.023 2.138 10.298 1.00 0.00 O ATOM 528 CB VAL A 37 15.612 3.056 7.238 1.00 0.00 C ATOM 529 CG1 VAL A 37 15.079 2.701 5.858 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.520 3.673 8.098 1.00 0.00 C ATOM 0 H VAL A 37 14.406 0.978 8.614 1.00 0.00 H new ATOM 0 HA VAL A 37 17.021 1.424 7.319 1.00 0.00 H new ATOM 0 HB VAL A 37 16.406 3.793 7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.665 3.593 5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.890 2.310 5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.299 1.946 5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.114 4.551 7.596 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.725 2.944 8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.938 3.967 9.061 1.00 0.00 H new ATOM 540 N SER A 38 17.998 2.627 9.337 1.00 0.00 N ATOM 541 CA SER A 38 18.630 3.033 10.587 1.00 0.00 C ATOM 542 C SER A 38 18.761 4.551 10.662 1.00 0.00 C ATOM 543 O SER A 38 19.440 5.085 11.539 1.00 0.00 O ATOM 544 CB SER A 38 20.009 2.384 10.720 1.00 0.00 C ATOM 545 OG SER A 38 19.912 1.092 11.293 1.00 0.00 O ATOM 0 H SER A 38 18.602 2.693 8.518 1.00 0.00 H new ATOM 0 HA SER A 38 17.998 2.699 11.410 1.00 0.00 H new ATOM 0 HB2 SER A 38 20.478 2.316 9.739 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.652 3.012 11.337 1.00 0.00 H new ATOM 0 HG SER A 38 20.807 0.698 11.365 1.00 0.00 H new ATOM 551 N PHE A 39 18.105 5.242 9.735 1.00 0.00 N ATOM 552 CA PHE A 39 18.147 6.699 9.694 1.00 0.00 C ATOM 553 C PHE A 39 16.742 7.281 9.572 1.00 0.00 C ATOM 554 O PHE A 39 15.754 6.547 9.558 1.00 0.00 O ATOM 555 CB PHE A 39 19.011 7.172 8.523 1.00 0.00 C ATOM 556 CG PHE A 39 18.565 6.634 7.193 1.00 0.00 C ATOM 557 CD1 PHE A 39 18.933 5.361 6.788 1.00 0.00 C ATOM 558 CD2 PHE A 39 17.778 7.400 6.349 1.00 0.00 C ATOM 559 CE1 PHE A 39 18.524 4.863 5.565 1.00 0.00 C ATOM 560 CE2 PHE A 39 17.366 6.908 5.125 1.00 0.00 C ATOM 561 CZ PHE A 39 17.739 5.638 4.733 1.00 0.00 C ATOM 0 H PHE A 39 17.538 4.816 9.002 1.00 0.00 H new ATOM 0 HA PHE A 39 18.587 7.051 10.627 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.997 8.261 8.488 1.00 0.00 H new ATOM 0 HB3 PHE A 39 20.044 6.872 8.699 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.546 4.751 7.435 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.483 8.394 6.651 1.00 0.00 H new ATOM 0 HE1 PHE A 39 18.818 3.869 5.260 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.753 7.516 4.476 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.418 5.251 3.777 1.00 0.00 H new ATOM 571 N ARG A 40 16.661 8.604 9.485 1.00 0.00 N ATOM 572 CA ARG A 40 15.378 9.286 9.366 1.00 0.00 C ATOM 573 C ARG A 40 14.936 9.362 7.908 1.00 0.00 C ATOM 574 O ARG A 40 15.719 9.726 7.029 1.00 0.00 O ATOM 575 CB ARG A 40 15.467 10.694 9.958 1.00 0.00 C ATOM 576 CG ARG A 40 14.156 11.194 10.540 1.00 0.00 C ATOM 577 CD ARG A 40 14.389 12.141 11.707 1.00 0.00 C ATOM 578 NE ARG A 40 15.091 11.489 12.809 1.00 0.00 N ATOM 579 CZ ARG A 40 15.094 11.951 14.055 1.00 0.00 C ATOM 580 NH1 ARG A 40 14.434 13.061 14.355 1.00 0.00 N ATOM 581 NH2 ARG A 40 15.756 11.301 15.003 1.00 0.00 N ATOM 0 H ARG A 40 17.469 9.226 9.495 1.00 0.00 H new ATOM 0 HA ARG A 40 14.637 8.712 9.923 1.00 0.00 H new ATOM 0 HB2 ARG A 40 16.228 10.703 10.738 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.797 11.385 9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.584 11.704 9.765 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.557 10.346 10.872 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.967 13.000 11.367 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.431 12.522 12.062 1.00 0.00 H new ATOM 0 HE ARG A 40 15.607 10.632 12.612 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.922 13.562 13.629 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.438 13.414 15.312 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.263 10.446 14.776 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.758 11.656 15.959 1.00 0.00 H new ATOM 595 N LEU A 41 13.678 9.017 7.657 1.00 0.00 N ATOM 596 CA LEU A 41 13.131 9.045 6.305 1.00 0.00 C ATOM 597 C LEU A 41 12.570 10.425 5.974 1.00 0.00 C ATOM 598 O LEU A 41 11.804 10.998 6.749 1.00 0.00 O ATOM 599 CB LEU A 41 12.037 7.988 6.154 1.00 0.00 C ATOM 600 CG LEU A 41 12.515 6.563 5.871 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.375 5.572 6.050 1.00 0.00 C ATOM 602 CD2 LEU A 41 13.095 6.464 4.468 1.00 0.00 C ATOM 0 H LEU A 41 13.017 8.714 8.373 1.00 0.00 H new ATOM 0 HA LEU A 41 13.939 8.824 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.443 7.976 7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.373 8.294 5.346 1.00 0.00 H new ATOM 0 HG LEU A 41 13.300 6.315 6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.734 4.564 5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.005 5.624 7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.568 5.817 5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.430 5.443 4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.331 6.732 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.940 7.146 4.375 1.00 0.00 H new ATOM 614 N LYS A 42 12.956 10.952 4.817 1.00 0.00 N ATOM 615 CA LYS A 42 12.489 12.263 4.380 1.00 0.00 C ATOM 616 C LYS A 42 11.512 12.132 3.216 1.00 0.00 C ATOM 617 O LYS A 42 11.743 11.367 2.281 1.00 0.00 O ATOM 618 CB LYS A 42 13.675 13.138 3.968 1.00 0.00 C ATOM 619 CG LYS A 42 14.795 13.167 4.994 1.00 0.00 C ATOM 620 CD LYS A 42 14.390 13.939 6.239 1.00 0.00 C ATOM 621 CE LYS A 42 14.120 15.402 5.924 1.00 0.00 C ATOM 622 NZ LYS A 42 14.016 16.225 7.161 1.00 0.00 N ATOM 0 H LYS A 42 13.591 10.492 4.165 1.00 0.00 H new ATOM 0 HA LYS A 42 11.971 12.734 5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.072 12.775 3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.323 14.156 3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.065 12.147 5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.681 13.624 4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.498 13.489 6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.180 13.866 6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.920 15.792 5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.195 15.486 5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.832 17.216 6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.236 15.869 7.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.907 16.165 7.694 1.00 0.00 H new ATOM 636 N GLY A 43 10.418 12.886 3.280 1.00 0.00 N ATOM 637 CA GLY A 43 9.423 12.840 2.225 1.00 0.00 C ATOM 638 C GLY A 43 10.044 12.717 0.848 1.00 0.00 C ATOM 639 O GLY A 43 9.480 12.077 -0.041 1.00 0.00 O ATOM 0 H GLY A 43 10.204 13.527 4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.755 11.995 2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.813 13.742 2.266 1.00 0.00 H new ATOM 643 N LYS A 44 11.207 13.332 0.668 1.00 0.00 N ATOM 644 CA LYS A 44 11.906 13.289 -0.611 1.00 0.00 C ATOM 645 C LYS A 44 12.570 11.932 -0.823 1.00 0.00 C ATOM 646 O LYS A 44 12.588 11.406 -1.937 1.00 0.00 O ATOM 647 CB LYS A 44 12.958 14.399 -0.679 1.00 0.00 C ATOM 648 CG LYS A 44 13.964 14.353 0.458 1.00 0.00 C ATOM 649 CD LYS A 44 14.454 15.744 0.825 1.00 0.00 C ATOM 650 CE LYS A 44 15.706 16.117 0.048 1.00 0.00 C ATOM 651 NZ LYS A 44 15.405 16.414 -1.380 1.00 0.00 N ATOM 0 H LYS A 44 11.686 13.867 1.392 1.00 0.00 H new ATOM 0 HA LYS A 44 11.172 13.443 -1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.490 14.326 -1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.455 15.366 -0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.508 13.885 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.812 13.732 0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.669 16.472 0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.662 15.787 1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.174 16.987 0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.426 15.300 0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.195 16.947 -1.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.275 15.523 -1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.535 16.980 -1.441 1.00 0.00 H new ATOM 665 N ASP A 45 13.112 11.369 0.251 1.00 0.00 N ATOM 666 CA ASP A 45 13.775 10.072 0.183 1.00 0.00 C ATOM 667 C ASP A 45 12.829 9.007 -0.363 1.00 0.00 C ATOM 668 O ASP A 45 13.237 8.129 -1.123 1.00 0.00 O ATOM 669 CB ASP A 45 14.282 9.661 1.566 1.00 0.00 C ATOM 670 CG ASP A 45 15.575 10.359 1.939 1.00 0.00 C ATOM 671 OD1 ASP A 45 16.332 10.739 1.020 1.00 0.00 O ATOM 672 OD2 ASP A 45 15.830 10.527 3.150 1.00 0.00 O ATOM 0 H ASP A 45 13.105 11.791 1.180 1.00 0.00 H new ATOM 0 HA ASP A 45 14.624 10.160 -0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.521 9.890 2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.435 8.582 1.588 1.00 0.00 H new ATOM 677 N VAL A 46 11.562 9.090 0.031 1.00 0.00 N ATOM 678 CA VAL A 46 10.557 8.133 -0.418 1.00 0.00 C ATOM 679 C VAL A 46 9.682 8.730 -1.514 1.00 0.00 C ATOM 680 O VAL A 46 9.700 9.938 -1.750 1.00 0.00 O ATOM 681 CB VAL A 46 9.660 7.673 0.746 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.490 6.984 1.819 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.895 8.852 1.327 1.00 0.00 C ATOM 0 H VAL A 46 11.207 9.810 0.660 1.00 0.00 H new ATOM 0 HA VAL A 46 11.095 7.272 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 46 8.936 6.954 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.840 6.666 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.988 6.114 1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.238 7.678 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.266 8.509 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.600 9.597 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.270 9.297 0.553 1.00 0.00 H new ATOM 693 N VAL A 47 8.914 7.875 -2.182 1.00 0.00 N ATOM 694 CA VAL A 47 8.030 8.317 -3.254 1.00 0.00 C ATOM 695 C VAL A 47 6.654 7.671 -3.132 1.00 0.00 C ATOM 696 O VAL A 47 6.486 6.484 -3.412 1.00 0.00 O ATOM 697 CB VAL A 47 8.618 7.989 -4.639 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.537 8.055 -5.707 1.00 0.00 C ATOM 699 CG2 VAL A 47 9.762 8.936 -4.969 1.00 0.00 C ATOM 0 H VAL A 47 8.886 6.872 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 47 7.931 9.398 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 47 9.012 6.973 -4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.971 7.820 -6.679 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.753 7.334 -5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.111 9.058 -5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.166 8.690 -5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.395 9.962 -4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.546 8.835 -4.218 1.00 0.00 H new ATOM 709 N VAL A 48 5.670 8.461 -2.713 1.00 0.00 N ATOM 710 CA VAL A 48 4.308 7.967 -2.555 1.00 0.00 C ATOM 711 C VAL A 48 3.329 8.778 -3.398 1.00 0.00 C ATOM 712 O VAL A 48 3.111 9.963 -3.147 1.00 0.00 O ATOM 713 CB VAL A 48 3.860 8.013 -1.082 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.387 7.658 -0.960 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.714 7.079 -0.238 1.00 0.00 C ATOM 0 H VAL A 48 5.791 9.446 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 48 4.306 6.931 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 48 3.995 9.029 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.089 7.696 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.792 8.370 -1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.222 6.653 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.385 7.123 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.612 6.059 -0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.758 7.385 -0.301 1.00 0.00 H new ATOM 725 N ASP A 49 2.740 8.131 -4.397 1.00 0.00 N ATOM 726 CA ASP A 49 1.782 8.791 -5.277 1.00 0.00 C ATOM 727 C ASP A 49 0.360 8.325 -4.978 1.00 0.00 C ATOM 728 O ASP A 49 0.039 7.146 -5.127 1.00 0.00 O ATOM 729 CB ASP A 49 2.126 8.513 -6.741 1.00 0.00 C ATOM 730 CG ASP A 49 1.377 9.423 -7.694 1.00 0.00 C ATOM 731 OD1 ASP A 49 0.285 9.902 -7.323 1.00 0.00 O ATOM 732 OD2 ASP A 49 1.884 9.657 -8.811 1.00 0.00 O ATOM 0 H ASP A 49 2.909 7.150 -4.618 1.00 0.00 H new ATOM 0 HA ASP A 49 1.839 9.864 -5.096 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.198 8.640 -6.890 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.892 7.475 -6.975 1.00 0.00 H new ATOM 737 N ILE A 50 -0.486 9.259 -4.555 1.00 0.00 N ATOM 738 CA ILE A 50 -1.873 8.944 -4.236 1.00 0.00 C ATOM 739 C ILE A 50 -2.822 9.517 -5.283 1.00 0.00 C ATOM 740 O ILE A 50 -2.754 10.700 -5.613 1.00 0.00 O ATOM 741 CB ILE A 50 -2.268 9.486 -2.849 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.356 8.900 -1.769 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.725 9.165 -2.551 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.324 9.717 -0.497 1.00 0.00 C ATOM 0 H ILE A 50 -0.235 10.239 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.957 7.857 -4.230 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.147 10.569 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.688 7.889 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.344 8.819 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.990 9.554 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.361 9.626 -3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.870 8.085 -2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.658 9.243 0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.963 10.721 -0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.328 9.777 -0.078 1.00 0.00 H new ATOM 756 N GLN A 51 -3.706 8.669 -5.799 1.00 0.00 N ATOM 757 CA GLN A 51 -4.669 9.092 -6.808 1.00 0.00 C ATOM 758 C GLN A 51 -6.092 8.745 -6.381 1.00 0.00 C ATOM 759 O GLN A 51 -6.313 8.232 -5.284 1.00 0.00 O ATOM 760 CB GLN A 51 -4.353 8.434 -8.153 1.00 0.00 C ATOM 761 CG GLN A 51 -3.001 8.832 -8.722 1.00 0.00 C ATOM 762 CD GLN A 51 -2.680 8.117 -10.019 1.00 0.00 C ATOM 763 OE1 GLN A 51 -3.506 7.377 -10.554 1.00 0.00 O ATOM 764 NE2 GLN A 51 -1.475 8.333 -10.532 1.00 0.00 N ATOM 0 H GLN A 51 -3.775 7.686 -5.535 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.594 10.174 -6.914 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.383 7.351 -8.034 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.131 8.698 -8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.985 9.909 -8.892 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.224 8.613 -7.989 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.822 8.954 -10.055 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.202 7.878 -11.403 1.00 0.00 H new ATOM 773 N ARG A 52 -7.052 9.029 -7.255 1.00 0.00 N ATOM 774 CA ARG A 52 -8.454 8.749 -6.967 1.00 0.00 C ATOM 775 C ARG A 52 -8.670 7.259 -6.715 1.00 0.00 C ATOM 776 O ARG A 52 -9.228 6.868 -5.690 1.00 0.00 O ATOM 777 CB ARG A 52 -9.337 9.214 -8.126 1.00 0.00 C ATOM 778 CG ARG A 52 -10.806 9.347 -7.758 1.00 0.00 C ATOM 779 CD ARG A 52 -11.049 10.554 -6.865 1.00 0.00 C ATOM 780 NE ARG A 52 -11.302 11.765 -7.641 1.00 0.00 N ATOM 781 CZ ARG A 52 -12.414 11.974 -8.337 1.00 0.00 C ATOM 782 NH1 ARG A 52 -13.371 11.056 -8.354 1.00 0.00 N ATOM 783 NH2 ARG A 52 -12.571 13.102 -9.017 1.00 0.00 N ATOM 0 H ARG A 52 -6.885 9.452 -8.168 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.731 9.296 -6.066 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.973 10.176 -8.486 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.240 8.508 -8.951 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.403 9.438 -8.666 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.138 8.443 -7.248 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.900 10.357 -6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.183 10.710 -6.222 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.585 12.491 -7.649 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.254 10.188 -7.832 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.224 11.218 -8.889 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.837 13.810 -9.006 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.425 13.261 -9.551 1.00 0.00 H new ATOM 797 N ARG A 53 -8.224 6.434 -7.656 1.00 0.00 N ATOM 798 CA ARG A 53 -8.370 4.988 -7.537 1.00 0.00 C ATOM 799 C ARG A 53 -7.040 4.285 -7.794 1.00 0.00 C ATOM 800 O ARG A 53 -7.009 3.138 -8.242 1.00 0.00 O ATOM 801 CB ARG A 53 -9.427 4.478 -8.518 1.00 0.00 C ATOM 802 CG ARG A 53 -9.992 3.116 -8.150 1.00 0.00 C ATOM 803 CD ARG A 53 -11.301 2.842 -8.874 1.00 0.00 C ATOM 804 NE ARG A 53 -12.457 3.294 -8.105 1.00 0.00 N ATOM 805 CZ ARG A 53 -13.715 3.070 -8.468 1.00 0.00 C ATOM 806 NH1 ARG A 53 -13.977 2.404 -9.584 1.00 0.00 N ATOM 807 NH2 ARG A 53 -14.713 3.513 -7.715 1.00 0.00 N ATOM 0 H ARG A 53 -7.758 6.742 -8.510 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.690 4.763 -6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.243 5.199 -8.567 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.989 4.423 -9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.268 2.341 -8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.153 3.067 -7.073 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.291 3.343 -9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.391 1.773 -9.069 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.289 3.810 -7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.212 2.063 -10.166 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.944 2.233 -9.861 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.515 4.026 -6.856 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.679 3.340 -7.995 1.00 0.00 H new ATOM 821 N HIS A 54 -5.944 4.979 -7.507 1.00 0.00 N ATOM 822 CA HIS A 54 -4.611 4.421 -7.707 1.00 0.00 C ATOM 823 C HIS A 54 -3.639 4.946 -6.655 1.00 0.00 C ATOM 824 O HIS A 54 -3.616 6.141 -6.356 1.00 0.00 O ATOM 825 CB HIS A 54 -4.098 4.760 -9.106 1.00 0.00 C ATOM 826 CG HIS A 54 -3.094 3.779 -9.630 1.00 0.00 C ATOM 827 ND1 HIS A 54 -3.232 3.134 -10.840 1.00 0.00 N ATOM 828 CD2 HIS A 54 -1.930 3.337 -9.100 1.00 0.00 C ATOM 829 CE1 HIS A 54 -2.197 2.335 -11.032 1.00 0.00 C ATOM 830 NE2 HIS A 54 -1.392 2.440 -9.990 1.00 0.00 N ATOM 0 H HIS A 54 -5.952 5.929 -7.135 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.679 3.338 -7.606 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.943 4.804 -9.793 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.649 5.753 -9.089 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.503 3.634 -8.153 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.037 1.704 -11.894 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.514 1.937 -9.866 1.00 0.00 H new ATOM 839 N LEU A 55 -2.837 4.047 -6.095 1.00 0.00 N ATOM 840 CA LEU A 55 -1.863 4.419 -5.076 1.00 0.00 C ATOM 841 C LEU A 55 -0.515 3.756 -5.342 1.00 0.00 C ATOM 842 O LEU A 55 -0.453 2.593 -5.742 1.00 0.00 O ATOM 843 CB LEU A 55 -2.372 4.026 -3.688 1.00 0.00 C ATOM 844 CG LEU A 55 -1.326 3.998 -2.572 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.860 5.408 -2.242 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.887 3.316 -1.333 1.00 0.00 C ATOM 0 H LEU A 55 -2.842 3.054 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.729 5.500 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.161 4.722 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.828 3.038 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.466 3.425 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.116 5.368 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.418 5.862 -3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.711 6.005 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.130 3.305 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.763 3.861 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.170 2.292 -1.578 1.00 0.00 H new ATOM 858 N ARG A 56 0.561 4.502 -5.116 1.00 0.00 N ATOM 859 CA ARG A 56 1.907 3.986 -5.331 1.00 0.00 C ATOM 860 C ARG A 56 2.831 4.382 -4.182 1.00 0.00 C ATOM 861 O ARG A 56 2.828 5.530 -3.737 1.00 0.00 O ATOM 862 CB ARG A 56 2.471 4.507 -6.655 1.00 0.00 C ATOM 863 CG ARG A 56 3.802 3.881 -7.038 1.00 0.00 C ATOM 864 CD ARG A 56 4.549 4.737 -8.048 1.00 0.00 C ATOM 865 NE ARG A 56 4.790 6.088 -7.549 1.00 0.00 N ATOM 866 CZ ARG A 56 5.261 7.077 -8.301 1.00 0.00 C ATOM 867 NH1 ARG A 56 5.540 6.866 -9.580 1.00 0.00 N ATOM 868 NH2 ARG A 56 5.454 8.279 -7.774 1.00 0.00 N ATOM 0 H ARG A 56 0.527 5.466 -4.784 1.00 0.00 H new ATOM 0 HA ARG A 56 1.850 2.898 -5.371 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.748 4.317 -7.448 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.593 5.588 -6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.414 3.751 -6.146 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.632 2.889 -7.455 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.501 4.265 -8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.975 4.789 -8.973 1.00 0.00 H new ATOM 0 HE ARG A 56 4.585 6.283 -6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.393 5.943 -9.988 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.901 7.627 -10.155 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.241 8.445 -6.790 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.816 9.037 -8.352 1.00 0.00 H new ATOM 882 N VAL A 57 3.619 3.423 -3.707 1.00 0.00 N ATOM 883 CA VAL A 57 4.548 3.671 -2.611 1.00 0.00 C ATOM 884 C VAL A 57 5.881 2.972 -2.851 1.00 0.00 C ATOM 885 O VAL A 57 5.923 1.842 -3.338 1.00 0.00 O ATOM 886 CB VAL A 57 3.968 3.197 -1.265 1.00 0.00 C ATOM 887 CG1 VAL A 57 5.026 3.263 -0.174 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.750 4.027 -0.889 1.00 0.00 C ATOM 0 H VAL A 57 3.633 2.468 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 57 4.708 4.748 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 57 3.654 2.159 -1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.598 2.924 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.866 2.622 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.374 4.290 -0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.353 3.679 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.037 5.075 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.987 3.923 -1.660 1.00 0.00 H new ATOM 898 N GLY A 58 6.971 3.651 -2.506 1.00 0.00 N ATOM 899 CA GLY A 58 8.292 3.079 -2.691 1.00 0.00 C ATOM 900 C GLY A 58 9.396 4.102 -2.517 1.00 0.00 C ATOM 901 O GLY A 58 9.176 5.301 -2.695 1.00 0.00 O ATOM 0 H GLY A 58 6.963 4.587 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.437 2.268 -1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.359 2.642 -3.687 1.00 0.00 H new ATOM 905 N LEU A 59 10.588 3.630 -2.167 1.00 0.00 N ATOM 906 CA LEU A 59 11.732 4.513 -1.967 1.00 0.00 C ATOM 907 C LEU A 59 12.218 5.083 -3.295 1.00 0.00 C ATOM 908 O LEU A 59 12.400 4.351 -4.268 1.00 0.00 O ATOM 909 CB LEU A 59 12.868 3.758 -1.276 1.00 0.00 C ATOM 910 CG LEU A 59 12.641 3.401 0.194 1.00 0.00 C ATOM 911 CD1 LEU A 59 13.188 4.493 1.100 1.00 0.00 C ATOM 912 CD2 LEU A 59 11.161 3.173 0.464 1.00 0.00 C ATOM 0 H LEU A 59 10.787 2.641 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 59 11.415 5.341 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.054 2.837 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.774 4.360 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 59 13.177 2.477 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 59 13.017 4.221 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.258 4.608 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.682 5.433 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.018 2.920 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.604 4.081 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.799 2.355 -0.159 1.00 0.00 H new ATOM 924 N LYS A 60 12.430 6.394 -3.328 1.00 0.00 N ATOM 925 CA LYS A 60 12.900 7.064 -4.535 1.00 0.00 C ATOM 926 C LYS A 60 13.796 6.142 -5.355 1.00 0.00 C ATOM 927 O LYS A 60 13.399 5.654 -6.412 1.00 0.00 O ATOM 928 CB LYS A 60 13.660 8.341 -4.171 1.00 0.00 C ATOM 929 CG LYS A 60 13.549 9.435 -5.220 1.00 0.00 C ATOM 930 CD LYS A 60 14.542 9.225 -6.351 1.00 0.00 C ATOM 931 CE LYS A 60 14.149 10.013 -7.591 1.00 0.00 C ATOM 932 NZ LYS A 60 13.149 9.282 -8.418 1.00 0.00 N ATOM 0 H LYS A 60 12.284 7.014 -2.532 1.00 0.00 H new ATOM 0 HA LYS A 60 12.030 7.326 -5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.283 8.720 -3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.712 8.098 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.536 9.453 -5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.725 10.405 -4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.536 9.530 -6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.598 8.164 -6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.739 10.978 -7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.037 10.215 -8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.907 9.852 -9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.550 8.372 -8.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.291 9.111 -7.855 1.00 0.00 H new ATOM 946 N GLY A 61 15.007 5.907 -4.859 1.00 0.00 N ATOM 947 CA GLY A 61 15.940 5.042 -5.559 1.00 0.00 C ATOM 948 C GLY A 61 15.636 3.572 -5.350 1.00 0.00 C ATOM 949 O GLY A 61 16.479 2.822 -4.859 1.00 0.00 O ATOM 0 H GLY A 61 15.359 6.300 -3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.911 5.268 -6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.953 5.253 -5.216 1.00 0.00 H new ATOM 953 N GLN A 62 14.429 3.160 -5.723 1.00 0.00 N ATOM 954 CA GLN A 62 14.016 1.770 -5.571 1.00 0.00 C ATOM 955 C GLN A 62 12.636 1.543 -6.180 1.00 0.00 C ATOM 956 O GLN A 62 11.895 2.483 -6.467 1.00 0.00 O ATOM 957 CB GLN A 62 14.005 1.378 -4.093 1.00 0.00 C ATOM 958 CG GLN A 62 15.255 0.634 -3.652 1.00 0.00 C ATOM 959 CD GLN A 62 14.986 -0.342 -2.523 1.00 0.00 C ATOM 960 OE1 GLN A 62 14.167 -1.252 -2.655 1.00 0.00 O ATOM 961 NE2 GLN A 62 15.677 -0.157 -1.404 1.00 0.00 N ATOM 0 H GLN A 62 13.720 3.769 -6.132 1.00 0.00 H new ATOM 0 HA GLN A 62 14.734 1.144 -6.100 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.895 2.278 -3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.133 0.754 -3.898 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.671 0.094 -4.503 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.008 1.354 -3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.346 0.610 -1.339 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.539 -0.782 -0.610 1.00 0.00 H new ATOM 970 N PRO A 63 12.281 0.265 -6.381 1.00 0.00 N ATOM 971 CA PRO A 63 10.988 -0.116 -6.958 1.00 0.00 C ATOM 972 C PRO A 63 9.826 0.160 -6.009 1.00 0.00 C ATOM 973 O PRO A 63 9.978 0.160 -4.787 1.00 0.00 O ATOM 974 CB PRO A 63 11.136 -1.620 -7.199 1.00 0.00 C ATOM 975 CG PRO A 63 12.164 -2.062 -6.215 1.00 0.00 C ATOM 976 CD PRO A 63 13.114 -0.906 -6.062 1.00 0.00 C ATOM 0 HA PRO A 63 10.760 0.453 -7.859 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.191 -2.141 -7.045 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.451 -1.828 -8.221 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.705 -2.319 -5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.685 -2.952 -6.568 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.517 -0.849 -5.051 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.963 -0.992 -6.740 1.00 0.00 H new ATOM 984 N PRO A 64 8.637 0.399 -6.581 1.00 0.00 N ATOM 985 CA PRO A 64 7.427 0.680 -5.803 1.00 0.00 C ATOM 986 C PRO A 64 6.926 -0.547 -5.048 1.00 0.00 C ATOM 987 O PRO A 64 6.417 -1.493 -5.649 1.00 0.00 O ATOM 988 CB PRO A 64 6.412 1.103 -6.868 1.00 0.00 C ATOM 989 CG PRO A 64 6.883 0.451 -8.122 1.00 0.00 C ATOM 990 CD PRO A 64 8.383 0.415 -8.031 1.00 0.00 C ATOM 0 HA PRO A 64 7.601 1.435 -5.036 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.405 0.777 -6.607 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.379 2.187 -6.974 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.473 -0.555 -8.217 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.558 1.011 -8.999 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.794 -0.468 -8.521 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.835 1.284 -8.509 1.00 0.00 H new ATOM 998 N VAL A 65 7.074 -0.524 -3.727 1.00 0.00 N ATOM 999 CA VAL A 65 6.635 -1.634 -2.890 1.00 0.00 C ATOM 1000 C VAL A 65 5.152 -1.923 -3.093 1.00 0.00 C ATOM 1001 O VAL A 65 4.710 -3.067 -2.982 1.00 0.00 O ATOM 1002 CB VAL A 65 6.891 -1.347 -1.398 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.483 -2.539 -0.547 1.00 0.00 C ATOM 1004 CG2 VAL A 65 8.352 -0.991 -1.168 1.00 0.00 C ATOM 0 H VAL A 65 7.494 0.251 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 65 7.216 -2.506 -3.190 1.00 0.00 H new ATOM 0 HB VAL A 65 6.282 -0.494 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.671 -2.317 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.422 -2.742 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.063 -3.413 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.515 -0.791 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.983 -1.823 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.606 -0.104 -1.748 1.00 0.00 H new ATOM 1014 N VAL A 66 4.386 -0.878 -3.393 1.00 0.00 N ATOM 1015 CA VAL A 66 2.952 -1.020 -3.614 1.00 0.00 C ATOM 1016 C VAL A 66 2.535 -0.388 -4.937 1.00 0.00 C ATOM 1017 O VAL A 66 2.509 0.836 -5.071 1.00 0.00 O ATOM 1018 CB VAL A 66 2.142 -0.377 -2.472 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.654 -0.425 -2.781 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.444 -1.067 -1.151 1.00 0.00 C ATOM 0 H VAL A 66 4.735 0.076 -3.488 1.00 0.00 H new ATOM 0 HA VAL A 66 2.740 -2.089 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 66 2.437 0.669 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.098 0.034 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.456 0.119 -3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.340 -1.462 -2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.863 -0.600 -0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.179 -2.122 -1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.507 -0.974 -0.927 1.00 0.00 H new ATOM 1030 N ASP A 67 2.209 -1.230 -5.912 1.00 0.00 N ATOM 1031 CA ASP A 67 1.792 -0.754 -7.225 1.00 0.00 C ATOM 1032 C ASP A 67 0.540 -1.488 -7.696 1.00 0.00 C ATOM 1033 O ASP A 67 0.610 -2.634 -8.139 1.00 0.00 O ATOM 1034 CB ASP A 67 2.920 -0.939 -8.241 1.00 0.00 C ATOM 1035 CG ASP A 67 2.516 -0.514 -9.639 1.00 0.00 C ATOM 1036 OD1 ASP A 67 2.171 0.673 -9.821 1.00 0.00 O ATOM 1037 OD2 ASP A 67 2.543 -1.367 -10.550 1.00 0.00 O ATOM 0 H ASP A 67 2.226 -2.245 -5.817 1.00 0.00 H new ATOM 0 HA ASP A 67 1.560 0.308 -7.142 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.788 -0.360 -7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.223 -1.986 -8.256 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.605 -0.819 -7.597 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.856 -1.425 -8.016 1.00 0.00 C ATOM 1044 C GLY A 68 -3.016 -0.451 -7.966 1.00 0.00 C ATOM 1045 O GLY A 68 -2.944 0.577 -7.293 1.00 0.00 O ATOM 0 H GLY A 68 -0.689 0.131 -7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.749 -1.807 -9.031 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.075 -2.279 -7.376 1.00 0.00 H new ATOM 1049 N GLU A 69 -4.089 -0.773 -8.683 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.268 0.084 -8.719 1.00 0.00 C ATOM 1051 C GLU A 69 -6.158 -0.164 -7.504 1.00 0.00 C ATOM 1052 O GLU A 69 -6.558 -1.297 -7.233 1.00 0.00 O ATOM 1053 CB GLU A 69 -6.063 -0.159 -10.004 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.501 0.326 -9.931 1.00 0.00 C ATOM 1055 CD GLU A 69 -8.312 -0.068 -11.150 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -7.767 0.002 -12.272 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -9.490 -0.446 -10.983 1.00 0.00 O ATOM 0 H GLU A 69 -4.166 -1.620 -9.246 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.933 1.121 -8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.561 0.342 -10.832 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.059 -1.226 -10.227 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.973 -0.082 -9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.510 1.411 -9.829 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.463 0.904 -6.774 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.304 0.805 -5.587 1.00 0.00 C ATOM 1066 C LEU A 70 -8.610 0.083 -5.904 1.00 0.00 C ATOM 1067 O LEU A 70 -9.145 0.203 -7.007 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.601 2.198 -5.030 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.435 2.905 -4.337 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.733 4.388 -4.172 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -6.148 2.264 -2.988 1.00 0.00 C ATOM 0 H LEU A 70 -6.140 1.848 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.764 0.228 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.948 2.829 -5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.424 2.116 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.548 2.800 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.893 4.875 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.888 4.839 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.632 4.514 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.316 2.780 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.032 2.337 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.890 1.215 -3.131 1.00 0.00 H new ATOM 1083 N TYR A 71 -9.119 -0.664 -4.931 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.363 -1.405 -5.106 1.00 0.00 C ATOM 1085 C TYR A 71 -11.538 -0.455 -5.314 1.00 0.00 C ATOM 1086 O TYR A 71 -12.462 -0.749 -6.072 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.624 -2.299 -3.893 1.00 0.00 C ATOM 1088 CG TYR A 71 -12.041 -2.819 -3.818 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.589 -3.555 -4.861 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.833 -2.574 -2.702 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.884 -4.031 -4.797 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -14.129 -3.048 -2.629 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.650 -3.776 -3.679 1.00 0.00 C ATOM 1094 OH TYR A 71 -15.940 -4.250 -3.610 1.00 0.00 O ATOM 0 H TYR A 71 -8.689 -0.773 -4.012 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.262 -2.029 -5.994 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.937 -3.145 -3.921 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.403 -1.738 -2.985 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.992 -3.759 -5.738 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.429 -2.004 -1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.295 -4.600 -5.618 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.731 -2.850 -1.755 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.341 -3.984 -2.756 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.495 0.687 -4.636 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.556 1.682 -4.746 1.00 0.00 C ATOM 1106 C ASN A 72 -11.978 3.094 -4.762 1.00 0.00 C ATOM 1107 O ASN A 72 -10.789 3.291 -4.513 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.542 1.537 -3.585 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.942 1.984 -3.957 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -15.539 2.820 -3.278 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.473 1.428 -5.039 1.00 0.00 N ATOM 0 H ASN A 72 -10.737 0.947 -4.005 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.083 1.513 -5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.569 0.496 -3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.189 2.124 -2.737 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.412 1.690 -5.338 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.942 0.739 -5.572 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.828 4.072 -5.058 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.401 5.466 -5.107 1.00 0.00 C ATOM 1120 C GLU A 73 -12.087 5.988 -3.708 1.00 0.00 C ATOM 1121 O GLU A 73 -12.723 5.597 -2.729 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.484 6.331 -5.755 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.338 6.460 -7.262 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.859 7.783 -7.788 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -14.409 8.565 -6.984 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -13.717 8.037 -9.002 1.00 0.00 O ATOM 0 H GLU A 73 -13.815 3.925 -5.267 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.494 5.521 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.461 5.905 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.458 7.325 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.287 6.355 -7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.875 5.644 -7.746 1.00 0.00 H new ATOM 1133 N VAL A 74 -11.101 6.875 -3.622 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.701 7.453 -2.344 1.00 0.00 C ATOM 1135 C VAL A 74 -10.403 8.941 -2.483 1.00 0.00 C ATOM 1136 O VAL A 74 -9.597 9.349 -3.320 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.461 6.743 -1.771 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.673 5.237 -1.740 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -8.222 7.098 -2.580 1.00 0.00 C ATOM 0 H VAL A 74 -10.564 7.209 -4.422 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.538 7.316 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.310 7.085 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.786 4.753 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.534 5.004 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.851 4.874 -2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.355 6.587 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.362 6.786 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.061 8.175 -2.544 1.00 0.00 H new ATOM 1149 N LYS A 75 -11.057 9.750 -1.656 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.861 11.195 -1.684 1.00 0.00 C ATOM 1151 C LYS A 75 -9.377 11.543 -1.664 1.00 0.00 C ATOM 1152 O LYS A 75 -8.779 11.699 -0.599 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.566 11.848 -0.493 1.00 0.00 C ATOM 1154 CG LYS A 75 -12.074 13.250 -0.782 1.00 0.00 C ATOM 1155 CD LYS A 75 -13.208 13.636 0.153 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.676 15.061 -0.097 1.00 0.00 C ATOM 1157 NZ LYS A 75 -14.202 15.698 1.143 1.00 0.00 N ATOM 0 H LYS A 75 -11.728 9.429 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.293 11.578 -2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.405 11.222 -0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.876 11.887 0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.256 13.963 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.417 13.308 -1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.043 12.949 0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.878 13.536 1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.847 15.653 -0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.453 15.059 -0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.511 16.668 0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.009 15.148 1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.454 15.723 1.865 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.786 11.666 -2.848 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.371 11.999 -2.967 1.00 0.00 C ATOM 1173 C VAL A 76 -7.098 13.417 -2.480 1.00 0.00 C ATOM 1174 O VAL A 76 -6.119 13.664 -1.776 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.882 11.864 -4.421 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.723 12.728 -5.349 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.410 12.233 -4.524 1.00 0.00 C ATOM 0 H VAL A 76 -9.265 11.540 -3.739 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.826 11.292 -2.342 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.995 10.825 -4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.363 12.620 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.765 12.412 -5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.644 13.772 -5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.081 12.132 -5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.270 13.263 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.823 11.568 -3.890 1.00 0.00 H new ATOM 1187 N GLU A 77 -7.971 14.346 -2.859 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.823 15.741 -2.460 1.00 0.00 C ATOM 1189 C GLU A 77 -7.676 15.861 -0.946 1.00 0.00 C ATOM 1190 O GLU A 77 -7.203 16.877 -0.437 1.00 0.00 O ATOM 1191 CB GLU A 77 -9.025 16.560 -2.934 1.00 0.00 C ATOM 1192 CG GLU A 77 -9.370 16.344 -4.398 1.00 0.00 C ATOM 1193 CD GLU A 77 -10.184 17.483 -4.980 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -9.588 18.531 -5.305 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -11.416 17.326 -5.110 1.00 0.00 O ATOM 0 H GLU A 77 -8.787 14.158 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.919 16.132 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.891 16.304 -2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.820 17.618 -2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.450 16.230 -4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.928 15.413 -4.502 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.087 14.817 -0.233 1.00 0.00 N ATOM 1203 CA GLU A 78 -8.003 14.807 1.223 1.00 0.00 C ATOM 1204 C GLU A 78 -6.943 13.818 1.700 1.00 0.00 C ATOM 1205 O GLU A 78 -6.305 14.025 2.732 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.361 14.451 1.832 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.306 15.634 1.946 1.00 0.00 C ATOM 1208 CD GLU A 78 -9.977 16.532 3.123 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -8.850 17.069 3.164 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -10.848 16.699 4.003 1.00 0.00 O ATOM 0 H GLU A 78 -8.481 13.968 -0.639 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.717 15.806 1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.831 13.679 1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.205 14.025 2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.265 16.217 1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.328 15.269 2.047 1.00 0.00 H new ATOM 1217 N SER A 79 -6.763 12.742 0.941 1.00 0.00 N ATOM 1218 CA SER A 79 -5.784 11.718 1.287 1.00 0.00 C ATOM 1219 C SER A 79 -4.413 12.338 1.537 1.00 0.00 C ATOM 1220 O SER A 79 -4.094 13.401 1.003 1.00 0.00 O ATOM 1221 CB SER A 79 -5.689 10.675 0.172 1.00 0.00 C ATOM 1222 OG SER A 79 -6.868 9.892 0.104 1.00 0.00 O ATOM 0 H SER A 79 -7.282 12.557 0.083 1.00 0.00 H new ATOM 0 HA SER A 79 -6.115 11.230 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.524 11.173 -0.783 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.829 10.029 0.347 1.00 0.00 H new ATOM 0 HG SER A 79 -7.625 10.462 -0.145 1.00 0.00 H new ATOM 1228 N SER A 80 -3.606 11.667 2.353 1.00 0.00 N ATOM 1229 CA SER A 80 -2.271 12.153 2.677 1.00 0.00 C ATOM 1230 C SER A 80 -1.487 11.107 3.464 1.00 0.00 C ATOM 1231 O SER A 80 -2.066 10.304 4.196 1.00 0.00 O ATOM 1232 CB SER A 80 -2.359 13.451 3.482 1.00 0.00 C ATOM 1233 OG SER A 80 -2.405 14.580 2.626 1.00 0.00 O ATOM 0 H SER A 80 -3.854 10.785 2.802 1.00 0.00 H new ATOM 0 HA SER A 80 -1.746 12.348 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.248 13.432 4.112 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.499 13.529 4.147 1.00 0.00 H new ATOM 0 HG SER A 80 -2.776 14.317 1.758 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.169 11.122 3.305 1.00 0.00 N ATOM 1240 CA TRP A 81 0.695 10.174 4.000 1.00 0.00 C ATOM 1241 C TRP A 81 1.757 10.902 4.816 1.00 0.00 C ATOM 1242 O TRP A 81 2.079 12.059 4.543 1.00 0.00 O ATOM 1243 CB TRP A 81 1.362 9.231 2.998 1.00 0.00 C ATOM 1244 CG TRP A 81 2.258 9.936 2.025 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.879 10.598 0.893 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.684 10.046 2.098 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.982 11.114 0.257 1.00 0.00 N ATOM 1248 CE2 TRP A 81 4.102 10.790 0.977 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.648 9.591 3.002 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.441 11.086 0.738 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.976 9.886 2.763 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.363 10.628 1.639 1.00 0.00 C ATOM 0 H TRP A 81 0.325 11.779 2.702 1.00 0.00 H new ATOM 0 HA TRP A 81 0.077 9.590 4.682 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.943 8.486 3.542 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.591 8.693 2.447 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.861 10.701 0.548 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.969 11.651 -0.610 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.360 9.019 3.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.741 11.657 -0.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.729 9.539 3.455 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.410 10.843 1.481 1.00 0.00 H new ATOM 1263 N LEU A 82 2.298 10.219 5.819 1.00 0.00 N ATOM 1264 CA LEU A 82 3.325 10.802 6.676 1.00 0.00 C ATOM 1265 C LEU A 82 4.348 9.750 7.092 1.00 0.00 C ATOM 1266 O LEU A 82 4.043 8.558 7.139 1.00 0.00 O ATOM 1267 CB LEU A 82 2.687 11.428 7.917 1.00 0.00 C ATOM 1268 CG LEU A 82 1.999 10.458 8.880 1.00 0.00 C ATOM 1269 CD1 LEU A 82 3.007 9.870 9.855 1.00 0.00 C ATOM 1270 CD2 LEU A 82 0.875 11.159 9.629 1.00 0.00 C ATOM 0 H LEU A 82 2.043 9.261 6.059 1.00 0.00 H new ATOM 0 HA LEU A 82 3.839 11.578 6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.460 11.967 8.466 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.954 12.166 7.591 1.00 0.00 H new ATOM 0 HG LEU A 82 1.568 9.642 8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.500 9.183 10.532 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.777 9.332 9.302 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.467 10.673 10.431 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.397 10.455 10.309 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.283 11.994 10.199 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.139 11.531 8.916 1.00 0.00 H new ATOM 1282 N ILE A 83 5.562 10.200 7.393 1.00 0.00 N ATOM 1283 CA ILE A 83 6.629 9.298 7.808 1.00 0.00 C ATOM 1284 C ILE A 83 6.662 9.147 9.326 1.00 0.00 C ATOM 1285 O ILE A 83 6.886 10.116 10.050 1.00 0.00 O ATOM 1286 CB ILE A 83 8.004 9.791 7.322 1.00 0.00 C ATOM 1287 CG1 ILE A 83 8.020 9.903 5.796 1.00 0.00 C ATOM 1288 CG2 ILE A 83 9.103 8.854 7.801 1.00 0.00 C ATOM 1289 CD1 ILE A 83 8.982 10.949 5.277 1.00 0.00 C ATOM 0 H ILE A 83 5.831 11.183 7.357 1.00 0.00 H new ATOM 0 HA ILE A 83 6.418 8.330 7.354 1.00 0.00 H new ATOM 0 HB ILE A 83 8.188 10.780 7.742 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.285 8.935 5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.015 10.140 5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.069 9.216 7.449 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.103 8.820 8.890 1.00 0.00 H new ATOM 0 HG23 ILE A 83 8.925 7.853 7.407 1.00 0.00 H new ATOM 0 HD11 ILE A 83 8.940 10.973 4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.705 11.926 5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.995 10.702 5.596 1.00 0.00 H new ATOM 1301 N GLU A 84 6.440 7.925 9.799 1.00 0.00 N ATOM 1302 CA GLU A 84 6.446 7.648 11.230 1.00 0.00 C ATOM 1303 C GLU A 84 7.835 7.221 11.696 1.00 0.00 C ATOM 1304 O GLU A 84 8.481 6.383 11.067 1.00 0.00 O ATOM 1305 CB GLU A 84 5.425 6.558 11.566 1.00 0.00 C ATOM 1306 CG GLU A 84 4.044 7.098 11.894 1.00 0.00 C ATOM 1307 CD GLU A 84 3.885 7.440 13.362 1.00 0.00 C ATOM 1308 OE1 GLU A 84 4.640 8.304 13.854 1.00 0.00 O ATOM 1309 OE2 GLU A 84 3.005 6.845 14.019 1.00 0.00 O ATOM 0 H GLU A 84 6.254 7.112 9.212 1.00 0.00 H new ATOM 0 HA GLU A 84 6.173 8.565 11.752 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.347 5.873 10.722 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.790 5.979 12.414 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.855 7.989 11.295 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.293 6.359 11.613 1.00 0.00 H new ATOM 1316 N ASP A 85 8.286 7.803 12.801 1.00 0.00 N ATOM 1317 CA ASP A 85 9.598 7.483 13.352 1.00 0.00 C ATOM 1318 C ASP A 85 10.648 7.406 12.248 1.00 0.00 C ATOM 1319 O ASP A 85 11.571 6.596 12.310 1.00 0.00 O ATOM 1320 CB ASP A 85 9.545 6.159 14.116 1.00 0.00 C ATOM 1321 CG ASP A 85 10.523 6.119 15.274 1.00 0.00 C ATOM 1322 OD1 ASP A 85 11.743 6.207 15.024 1.00 0.00 O ATOM 1323 OD2 ASP A 85 10.067 5.999 16.430 1.00 0.00 O ATOM 0 H ASP A 85 7.763 8.499 13.333 1.00 0.00 H new ATOM 0 HA ASP A 85 9.879 8.280 14.040 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.534 6.000 14.492 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.763 5.339 13.432 1.00 0.00 H new ATOM 1328 N GLY A 86 10.498 8.255 11.236 1.00 0.00 N ATOM 1329 CA GLY A 86 11.439 8.266 10.131 1.00 0.00 C ATOM 1330 C GLY A 86 11.842 6.870 9.699 1.00 0.00 C ATOM 1331 O GLY A 86 12.917 6.673 9.133 1.00 0.00 O ATOM 0 H GLY A 86 9.742 8.935 11.162 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.995 8.791 9.285 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.329 8.824 10.421 1.00 0.00 H new ATOM 1335 N LYS A 87 10.977 5.897 9.967 1.00 0.00 N ATOM 1336 CA LYS A 87 11.247 4.511 9.602 1.00 0.00 C ATOM 1337 C LYS A 87 10.096 3.929 8.788 1.00 0.00 C ATOM 1338 O LYS A 87 10.308 3.117 7.888 1.00 0.00 O ATOM 1339 CB LYS A 87 11.476 3.667 10.858 1.00 0.00 C ATOM 1340 CG LYS A 87 10.221 3.460 11.689 1.00 0.00 C ATOM 1341 CD LYS A 87 10.556 3.067 13.118 1.00 0.00 C ATOM 1342 CE LYS A 87 10.744 1.564 13.253 1.00 0.00 C ATOM 1343 NZ LYS A 87 11.684 1.219 14.355 1.00 0.00 N ATOM 0 H LYS A 87 10.083 6.043 10.436 1.00 0.00 H new ATOM 0 HA LYS A 87 12.148 4.491 8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.872 2.695 10.565 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.235 4.148 11.475 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.630 4.376 11.692 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.605 2.685 11.233 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.466 3.578 13.433 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.758 3.396 13.784 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.779 1.093 13.438 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.121 1.159 12.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.785 0.186 14.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.613 1.648 14.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.312 1.583 15.255 1.00 0.00 H new ATOM 1357 N VAL A 88 8.877 4.350 9.110 1.00 0.00 N ATOM 1358 CA VAL A 88 7.693 3.872 8.406 1.00 0.00 C ATOM 1359 C VAL A 88 7.000 5.008 7.661 1.00 0.00 C ATOM 1360 O VAL A 88 7.178 6.180 7.991 1.00 0.00 O ATOM 1361 CB VAL A 88 6.688 3.222 9.376 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.457 2.739 8.625 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.344 2.077 10.133 1.00 0.00 C ATOM 0 H VAL A 88 8.684 5.021 9.854 1.00 0.00 H new ATOM 0 HA VAL A 88 8.032 3.124 7.689 1.00 0.00 H new ATOM 0 HB VAL A 88 6.371 3.972 10.100 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.759 2.283 9.327 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.976 3.584 8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.753 2.003 7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.620 1.629 10.814 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.691 1.324 9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.192 2.456 10.703 1.00 0.00 H new ATOM 1373 N VAL A 89 6.209 4.652 6.654 1.00 0.00 N ATOM 1374 CA VAL A 89 5.488 5.641 5.862 1.00 0.00 C ATOM 1375 C VAL A 89 4.001 5.311 5.792 1.00 0.00 C ATOM 1376 O VAL A 89 3.563 4.544 4.933 1.00 0.00 O ATOM 1377 CB VAL A 89 6.050 5.733 4.431 1.00 0.00 C ATOM 1378 CG1 VAL A 89 5.154 6.600 3.560 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.472 6.272 4.452 1.00 0.00 C ATOM 0 H VAL A 89 6.051 3.686 6.367 1.00 0.00 H new ATOM 0 HA VAL A 89 5.621 6.602 6.359 1.00 0.00 H new ATOM 0 HB VAL A 89 6.072 4.731 4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.567 6.653 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.155 6.166 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.097 7.603 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.854 6.331 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.478 7.266 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.105 5.606 5.039 1.00 0.00 H new ATOM 1389 N THR A 90 3.227 5.894 6.702 1.00 0.00 N ATOM 1390 CA THR A 90 1.789 5.662 6.744 1.00 0.00 C ATOM 1391 C THR A 90 1.064 6.509 5.705 1.00 0.00 C ATOM 1392 O THR A 90 1.393 7.678 5.503 1.00 0.00 O ATOM 1393 CB THR A 90 1.210 5.973 8.138 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.393 7.360 8.445 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.880 5.120 9.204 1.00 0.00 C ATOM 0 H THR A 90 3.572 6.531 7.420 1.00 0.00 H new ATOM 0 HA THR A 90 1.633 4.607 6.521 1.00 0.00 H new ATOM 0 HB THR A 90 0.145 5.741 8.126 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.021 7.551 9.332 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.455 5.357 10.180 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.715 4.065 8.983 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.950 5.326 9.215 1.00 0.00 H new ATOM 1403 N VAL A 91 0.075 5.912 5.047 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.698 6.613 4.029 1.00 0.00 C ATOM 1405 C VAL A 91 -2.190 6.555 4.335 1.00 0.00 C ATOM 1406 O VAL A 91 -2.796 5.483 4.325 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.449 6.021 2.629 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.105 6.883 1.560 1.00 0.00 C ATOM 1409 CG2 VAL A 91 1.042 5.878 2.369 1.00 0.00 C ATOM 0 H VAL A 91 -0.210 4.945 5.201 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.368 7.652 4.040 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.898 5.029 2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.918 6.449 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.179 6.929 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.688 7.889 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.199 5.458 1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.517 6.857 2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.480 5.216 3.116 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.778 7.716 4.608 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.201 7.798 4.917 1.00 0.00 C ATOM 1421 C HIS A 92 -5.029 7.902 3.640 1.00 0.00 C ATOM 1422 O HIS A 92 -4.828 8.807 2.828 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.480 9.001 5.819 1.00 0.00 C ATOM 1424 CG HIS A 92 -5.864 9.555 5.667 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -6.988 8.911 6.137 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.300 10.701 5.094 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -8.057 9.636 5.859 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -7.667 10.728 5.226 1.00 0.00 N ATOM 0 H HIS A 92 -2.291 8.612 4.621 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.487 6.886 5.441 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.326 8.709 6.858 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.757 9.786 5.598 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -5.687 11.454 4.621 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.076 9.380 6.107 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.281 11.470 4.890 1.00 0.00 H new ATOM 1437 N LEU A 93 -5.960 6.970 3.467 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.819 6.956 2.287 1.00 0.00 C ATOM 1439 C LEU A 93 -8.275 7.198 2.671 1.00 0.00 C ATOM 1440 O LEU A 93 -8.892 6.378 3.351 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.688 5.621 1.553 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.376 5.394 0.801 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.218 3.927 0.432 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.317 6.268 -0.443 1.00 0.00 C ATOM 0 H LEU A 93 -6.140 6.214 4.128 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.499 7.760 1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.811 4.817 2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.510 5.538 0.842 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.551 5.673 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.279 3.785 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.214 3.322 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.048 3.621 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.377 6.094 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.150 6.020 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.382 7.317 -0.154 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.819 8.327 2.229 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.204 8.675 2.525 1.00 0.00 C ATOM 1458 C GLU A 94 -11.156 8.003 1.541 1.00 0.00 C ATOM 1459 O GLU A 94 -11.020 8.152 0.326 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.393 10.193 2.479 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.849 10.623 2.421 1.00 0.00 C ATOM 1462 CD GLU A 94 -12.553 10.479 3.756 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -12.307 9.471 4.451 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -13.351 11.374 4.106 1.00 0.00 O ATOM 0 H GLU A 94 -8.322 9.016 1.665 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.435 8.318 3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.927 10.636 3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.871 10.590 1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.905 11.662 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.371 10.026 1.673 1.00 0.00 H new ATOM 1471 N LYS A 95 -12.122 7.261 2.074 1.00 0.00 N ATOM 1472 CA LYS A 95 -13.099 6.566 1.244 1.00 0.00 C ATOM 1473 C LYS A 95 -14.240 7.497 0.851 1.00 0.00 C ATOM 1474 O LYS A 95 -14.925 8.052 1.711 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.653 5.348 1.987 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.647 4.220 2.143 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.259 3.020 2.844 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.188 2.102 3.415 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.772 0.859 3.990 1.00 0.00 N ATOM 0 H LYS A 95 -12.249 7.126 3.077 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.597 6.234 0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.993 5.659 2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.526 4.973 1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.280 3.921 1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.787 4.574 2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.913 3.361 3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.879 2.464 2.141 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.478 1.840 2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.629 2.632 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.371 0.692 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.804 0.963 4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.550 0.053 3.372 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.441 7.663 -0.452 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.501 8.526 -0.958 1.00 0.00 C ATOM 1495 C ILE A 96 -16.801 8.305 -0.192 1.00 0.00 C ATOM 1496 O ILE A 96 -17.554 9.246 0.056 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.755 8.286 -2.458 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.518 8.666 -3.274 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.968 9.077 -2.923 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -14.116 10.117 -3.121 1.00 0.00 C ATOM 0 H ILE A 96 -13.883 7.211 -1.177 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.167 9.554 -0.815 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.957 7.226 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.684 8.032 -2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.710 8.459 -4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.135 8.897 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.846 8.761 -2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.794 10.140 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.232 10.316 -3.727 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.934 10.758 -3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.892 10.324 -2.075 1.00 0.00 H new ATOM 1512 N ASN A 97 -17.057 7.055 0.182 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.266 6.711 0.921 1.00 0.00 C ATOM 1514 C ASN A 97 -17.919 6.079 2.266 1.00 0.00 C ATOM 1515 O ASN A 97 -17.238 5.056 2.327 1.00 0.00 O ATOM 1516 CB ASN A 97 -19.133 5.752 0.103 1.00 0.00 C ATOM 1517 CG ASN A 97 -19.846 6.449 -1.040 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -21.066 6.612 -1.017 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -19.086 6.863 -2.047 1.00 0.00 N ATOM 0 H ASN A 97 -16.443 6.264 -0.015 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.825 7.629 1.104 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.509 4.952 -0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -19.870 5.285 0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.510 7.338 -2.844 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.078 6.706 -2.023 1.00 0.00 H new ATOM 1526 N LYS A 98 -18.394 6.697 3.343 1.00 0.00 N ATOM 1527 CA LYS A 98 -18.137 6.196 4.688 1.00 0.00 C ATOM 1528 C LYS A 98 -18.988 4.964 4.981 1.00 0.00 C ATOM 1529 O LYS A 98 -18.792 4.290 5.992 1.00 0.00 O ATOM 1530 CB LYS A 98 -18.423 7.285 5.723 1.00 0.00 C ATOM 1531 CG LYS A 98 -17.800 8.628 5.382 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.287 8.591 5.523 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.644 9.845 4.950 1.00 0.00 C ATOM 1534 NZ LYS A 98 -15.849 11.027 5.832 1.00 0.00 N ATOM 0 H LYS A 98 -18.959 7.546 3.310 1.00 0.00 H new ATOM 0 HA LYS A 98 -17.086 5.913 4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.502 7.408 5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.052 6.958 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -18.065 8.905 4.362 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.209 9.397 6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.021 8.492 6.575 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.894 7.713 5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.576 9.675 4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.063 10.050 3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -15.091 11.720 5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.769 11.463 5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.830 10.725 6.827 1.00 0.00 H new ATOM 1548 N MET A 99 -19.932 4.677 4.091 1.00 0.00 N ATOM 1549 CA MET A 99 -20.811 3.525 4.255 1.00 0.00 C ATOM 1550 C MET A 99 -20.442 2.417 3.274 1.00 0.00 C ATOM 1551 O MET A 99 -21.313 1.711 2.766 1.00 0.00 O ATOM 1552 CB MET A 99 -22.271 3.937 4.052 1.00 0.00 C ATOM 1553 CG MET A 99 -22.801 4.852 5.143 1.00 0.00 C ATOM 1554 SD MET A 99 -23.185 3.967 6.666 1.00 0.00 S ATOM 1555 CE MET A 99 -22.092 4.790 7.821 1.00 0.00 C ATOM 0 H MET A 99 -20.108 5.226 3.249 1.00 0.00 H new ATOM 0 HA MET A 99 -20.686 3.145 5.269 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.368 4.439 3.089 1.00 0.00 H new ATOM 0 HB3 MET A 99 -22.890 3.041 4.008 1.00 0.00 H new ATOM 0 HG2 MET A 99 -22.063 5.626 5.353 1.00 0.00 H new ATOM 0 HG3 MET A 99 -23.698 5.357 4.785 1.00 0.00 H new ATOM 0 HE1 MET A 99 -22.214 4.353 8.812 1.00 0.00 H new ATOM 0 HE2 MET A 99 -21.059 4.668 7.495 1.00 0.00 H new ATOM 0 HE3 MET A 99 -22.337 5.851 7.860 1.00 0.00 H new ATOM 1565 N GLU A 100 -19.147 2.270 3.013 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.665 1.248 2.091 1.00 0.00 C ATOM 1567 C GLU A 100 -17.538 0.436 2.722 1.00 0.00 C ATOM 1568 O GLU A 100 -16.708 0.972 3.457 1.00 0.00 O ATOM 1569 CB GLU A 100 -18.180 1.890 0.790 1.00 0.00 C ATOM 1570 CG GLU A 100 -17.802 0.882 -0.282 1.00 0.00 C ATOM 1571 CD GLU A 100 -19.004 0.363 -1.046 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -19.862 1.185 -1.433 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -19.088 -0.865 -1.256 1.00 0.00 O ATOM 0 H GLU A 100 -18.413 2.845 3.427 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.494 0.576 1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -18.962 2.543 0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.317 2.520 1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -17.105 1.345 -0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.281 0.044 0.181 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.515 -0.860 2.429 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.490 -1.747 2.967 1.00 0.00 C ATOM 1582 C TRP A 101 -15.547 -2.221 1.866 1.00 0.00 C ATOM 1583 O TRP A 101 -15.967 -2.446 0.732 1.00 0.00 O ATOM 1584 CB TRP A 101 -17.137 -2.950 3.654 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.410 -2.726 5.111 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.633 -2.599 5.706 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.439 -2.602 6.156 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.480 -2.403 7.057 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -17.144 -2.401 7.358 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -15.042 -2.642 6.192 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.498 -2.241 8.581 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.403 -2.482 7.407 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.130 -2.285 8.588 1.00 0.00 C ATOM 0 H TRP A 101 -18.194 -1.319 1.822 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.909 -1.187 3.700 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -18.073 -3.188 3.149 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -16.485 -3.817 3.543 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.581 -2.646 5.190 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.239 -2.279 7.727 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.473 -2.795 5.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.057 -2.088 9.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.324 -2.509 7.447 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -14.601 -2.166 9.522 1.00 0.00 H new ATOM 1604 N TRP A 102 -14.273 -2.370 2.209 1.00 0.00 N ATOM 1605 CA TRP A 102 -13.271 -2.817 1.248 1.00 0.00 C ATOM 1606 C TRP A 102 -12.890 -4.273 1.497 1.00 0.00 C ATOM 1607 O TRP A 102 -13.074 -4.792 2.597 1.00 0.00 O ATOM 1608 CB TRP A 102 -12.027 -1.931 1.327 1.00 0.00 C ATOM 1609 CG TRP A 102 -12.219 -0.581 0.705 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -13.367 0.159 0.691 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -11.235 0.188 0.004 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -13.155 1.342 0.024 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.855 1.384 -0.406 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.890 -0.016 -0.314 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -11.176 2.369 -1.118 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -9.217 0.961 -1.021 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.860 2.142 -1.416 1.00 0.00 C ATOM 0 H TRP A 102 -13.909 -2.188 3.144 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.701 -2.739 0.249 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.745 -1.805 2.372 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -11.198 -2.436 0.832 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -14.303 -0.141 1.138 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.853 2.071 -0.126 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.385 -0.922 -0.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.670 3.279 -1.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.178 0.812 -1.274 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -9.306 2.888 -1.967 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.358 -4.925 0.468 1.00 0.00 N ATOM 1629 CA ASN A 103 -11.951 -6.321 0.577 1.00 0.00 C ATOM 1630 C ASN A 103 -10.458 -6.476 0.307 1.00 0.00 C ATOM 1631 O ASN A 103 -9.890 -7.551 0.496 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.750 -7.184 -0.403 1.00 0.00 C ATOM 1633 CG ASN A 103 -12.219 -7.091 -1.820 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -11.317 -7.835 -2.207 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -12.777 -6.175 -2.602 1.00 0.00 N ATOM 0 H ASN A 103 -12.199 -4.509 -0.450 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.154 -6.654 1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -12.722 -8.223 -0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -13.795 -6.873 -0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.461 -6.066 -3.566 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -13.522 -5.580 -2.239 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.827 -5.393 -0.136 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.400 -5.407 -0.432 1.00 0.00 C ATOM 1644 C ARG A 104 -7.891 -3.999 -0.725 1.00 0.00 C ATOM 1645 O ARG A 104 -8.555 -3.216 -1.405 1.00 0.00 O ATOM 1646 CB ARG A 104 -8.114 -6.323 -1.624 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.484 -5.710 -2.965 1.00 0.00 C ATOM 1648 CD ARG A 104 -8.430 -6.740 -4.082 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.662 -6.139 -5.393 1.00 0.00 N ATOM 1650 CZ ARG A 104 -8.621 -6.821 -6.532 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -8.359 -8.121 -6.521 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -8.843 -6.203 -7.685 1.00 0.00 N ATOM 0 H ARG A 104 -10.282 -4.495 -0.298 1.00 0.00 H new ATOM 0 HA ARG A 104 -7.876 -5.788 0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.054 -6.577 -1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.664 -7.255 -1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.486 -5.286 -2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.803 -4.890 -3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.457 -7.231 -4.075 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.178 -7.512 -3.900 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.867 -5.141 -5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.188 -8.599 -5.636 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.328 -8.642 -7.397 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.045 -5.203 -7.697 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.811 -6.728 -8.559 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.709 -3.683 -0.208 1.00 0.00 N ATOM 1667 CA LEU A 105 -6.110 -2.369 -0.413 1.00 0.00 C ATOM 1668 C LEU A 105 -6.069 -2.015 -1.896 1.00 0.00 C ATOM 1669 O LEU A 105 -6.688 -1.044 -2.331 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.697 -2.333 0.171 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.764 -1.261 -0.393 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -4.179 0.118 0.094 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -2.321 -1.553 -0.008 1.00 0.00 C ATOM 0 H LEU A 105 -6.146 -4.319 0.357 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.727 -1.632 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.775 -2.188 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.235 -3.308 0.013 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.839 -1.277 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.503 0.868 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.197 0.328 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.134 0.148 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.671 -0.780 -0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.230 -1.565 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.027 -2.523 -0.408 1.00 0.00 H new ATOM 1685 N VAL A 106 -5.336 -2.811 -2.669 1.00 0.00 N ATOM 1686 CA VAL A 106 -5.217 -2.584 -4.104 1.00 0.00 C ATOM 1687 C VAL A 106 -5.545 -3.849 -4.890 1.00 0.00 C ATOM 1688 O VAL A 106 -5.902 -4.877 -4.313 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.800 -2.112 -4.482 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.677 -0.605 -4.316 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.757 -2.836 -3.644 1.00 0.00 C ATOM 0 H VAL A 106 -4.816 -3.618 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.933 -1.804 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.623 -2.353 -5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.669 -0.290 -4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.399 -0.108 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.874 -0.336 -3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.762 -2.491 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.930 -2.627 -2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.831 -3.909 -3.819 1.00 0.00 H new ATOM 1701 N THR A 107 -5.421 -3.768 -6.211 1.00 0.00 N ATOM 1702 CA THR A 107 -5.705 -4.905 -7.077 1.00 0.00 C ATOM 1703 C THR A 107 -4.570 -5.922 -7.039 1.00 0.00 C ATOM 1704 O THR A 107 -4.755 -7.087 -7.392 1.00 0.00 O ATOM 1705 CB THR A 107 -5.932 -4.459 -8.534 1.00 0.00 C ATOM 1706 OG1 THR A 107 -4.797 -3.722 -9.002 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.183 -3.602 -8.649 1.00 0.00 C ATOM 0 H THR A 107 -5.125 -2.926 -6.705 1.00 0.00 H new ATOM 0 HA THR A 107 -6.617 -5.369 -6.701 1.00 0.00 H new ATOM 0 HB THR A 107 -6.065 -5.350 -9.148 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.948 -3.443 -9.929 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.322 -3.299 -9.687 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.049 -4.176 -8.319 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.076 -2.716 -8.024 1.00 0.00 H new ATOM 1715 N SER A 108 -3.395 -5.474 -6.608 1.00 0.00 N ATOM 1716 CA SER A 108 -2.228 -6.345 -6.527 1.00 0.00 C ATOM 1717 C SER A 108 -2.181 -7.067 -5.184 1.00 0.00 C ATOM 1718 O SER A 108 -1.323 -7.919 -4.954 1.00 0.00 O ATOM 1719 CB SER A 108 -0.946 -5.536 -6.729 1.00 0.00 C ATOM 1720 OG SER A 108 -0.966 -4.850 -7.969 1.00 0.00 O ATOM 0 H SER A 108 -3.226 -4.513 -6.310 1.00 0.00 H new ATOM 0 HA SER A 108 -2.307 -7.091 -7.318 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.832 -4.820 -5.915 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.083 -6.201 -6.691 1.00 0.00 H new ATOM 0 HG SER A 108 -0.488 -3.999 -7.880 1.00 0.00 H new ATOM 1726 N ASP A 109 -3.110 -6.720 -4.300 1.00 0.00 N ATOM 1727 CA ASP A 109 -3.177 -7.334 -2.979 1.00 0.00 C ATOM 1728 C ASP A 109 -4.305 -8.359 -2.913 1.00 0.00 C ATOM 1729 O ASP A 109 -5.254 -8.326 -3.697 1.00 0.00 O ATOM 1730 CB ASP A 109 -3.380 -6.264 -1.905 1.00 0.00 C ATOM 1731 CG ASP A 109 -2.068 -5.708 -1.387 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -1.090 -6.479 -1.302 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -2.021 -4.502 -1.065 1.00 0.00 O ATOM 0 H ASP A 109 -3.827 -6.016 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.233 -7.847 -2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.979 -5.451 -2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.944 -6.689 -1.075 1.00 0.00 H new ATOM 1738 N PRO A 110 -4.200 -9.294 -1.957 1.00 0.00 N ATOM 1739 CA PRO A 110 -5.202 -10.347 -1.766 1.00 0.00 C ATOM 1740 C PRO A 110 -6.520 -9.803 -1.226 1.00 0.00 C ATOM 1741 O PRO A 110 -6.619 -8.627 -0.877 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.548 -11.277 -0.741 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.594 -10.409 0.004 1.00 0.00 C ATOM 1744 CD PRO A 110 -3.096 -9.394 -0.988 1.00 0.00 C ATOM 0 HA PRO A 110 -5.461 -10.838 -2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.290 -11.714 -0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.032 -12.104 -1.229 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.085 -9.923 0.847 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.769 -10.995 0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.890 -8.435 -0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.171 -9.718 -1.465 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.529 -10.665 -1.161 1.00 0.00 N ATOM 1753 CA GLU A 111 -8.841 -10.269 -0.664 1.00 0.00 C ATOM 1754 C GLU A 111 -9.109 -10.878 0.710 1.00 0.00 C ATOM 1755 O GLU A 111 -8.404 -11.788 1.145 1.00 0.00 O ATOM 1756 CB GLU A 111 -9.934 -10.697 -1.645 1.00 0.00 C ATOM 1757 CG GLU A 111 -9.600 -10.396 -3.097 1.00 0.00 C ATOM 1758 CD GLU A 111 -8.449 -11.236 -3.617 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -8.580 -12.477 -3.634 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -7.418 -10.650 -4.007 1.00 0.00 O ATOM 0 H GLU A 111 -7.463 -11.642 -1.446 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.852 -9.183 -0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.110 -11.767 -1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.864 -10.193 -1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.482 -10.573 -3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.348 -9.340 -3.197 1.00 0.00 H new ATOM 1767 N ILE A 112 -10.132 -10.367 1.387 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.493 -10.860 2.710 1.00 0.00 C ATOM 1769 C ILE A 112 -12.007 -10.960 2.865 1.00 0.00 C ATOM 1770 O ILE A 112 -12.726 -9.980 2.673 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.933 -9.953 3.821 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -9.831 -8.508 3.328 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.574 -10.458 4.283 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -9.544 -7.512 4.429 1.00 0.00 C ATOM 0 H ILE A 112 -10.725 -9.612 1.041 1.00 0.00 H new ATOM 0 HA ILE A 112 -10.054 -11.853 2.808 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.616 -9.980 4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -9.044 -8.444 2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.764 -8.234 2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.191 -9.806 5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.675 -11.472 4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.881 -10.458 3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -9.485 -6.509 4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.343 -7.548 5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.596 -7.760 4.906 1.00 0.00 H new