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 Set 1.1: A 51 GLN : amide:sc= -0.947 K(o=-1.2,f=-2.7!) USER MOD Set 1.2: A 54 HIS : no HD1:sc= -0.26 X(o=-1.2,f=-0.98) USER MOD Single : A 13 ASN : amide:sc= -0.0058 X(o=-0.0058,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.363 K(o=-0.36,f=-2.7!) USER MOD Single : A 20 TYR OH : rot 4:sc= 1.23 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -4.85! C(o=-4.8!,f=-14!) USER MOD Single : A 25 THR OG1 : rot -55:sc= 1.34 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+ -172:sc= 0 (180deg=-0.0454) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.5) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 73:sc= 0.52 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.965 USER MOD Single : A 92 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-3.5!) USER MOD Single : A 95 LYS NZ :NH3+ -138:sc= -0.0112 (180deg=-1.67!) USER MOD Single : A 97 ASN : amide:sc= -2.66! K(o=-2.7!,f=-1.4) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -109:sc= -0.899 (180deg=-4.09!) USER MOD Single : A 103 ASN : amide:sc= -3.57! K(o=-3.6!,f=-1.1) USER MOD Single : A 107 THR OG1 : rot 180:sc=-0.00285 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N ASN A 13 -10.002 -4.844 10.267 1.00 0.00 N ATOM 143 CA ASN A 13 -10.520 -5.602 9.133 1.00 0.00 C ATOM 144 C ASN A 13 -9.659 -5.382 7.893 1.00 0.00 C ATOM 145 O ASN A 13 -10.159 -5.389 6.768 1.00 0.00 O ATOM 146 CB ASN A 13 -11.967 -5.197 8.842 1.00 0.00 C ATOM 147 CG ASN A 13 -12.889 -5.463 10.016 1.00 0.00 C ATOM 148 OD1 ASN A 13 -13.516 -6.518 10.101 1.00 0.00 O ATOM 149 ND2 ASN A 13 -12.974 -4.503 10.930 1.00 0.00 N ATOM 0 HA ASN A 13 -10.490 -6.661 9.390 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.001 -4.137 8.590 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.326 -5.744 7.970 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.578 -4.625 11.743 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.436 -3.644 10.819 1.00 0.00 H new ATOM 156 N GLY A 14 -8.361 -5.187 8.106 1.00 0.00 N ATOM 157 CA GLY A 14 -7.452 -4.968 6.997 1.00 0.00 C ATOM 158 C GLY A 14 -6.803 -6.252 6.517 1.00 0.00 C ATOM 159 O GLY A 14 -7.477 -7.265 6.335 1.00 0.00 O ATOM 0 H GLY A 14 -7.923 -5.177 9.027 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.995 -4.508 6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.677 -4.264 7.300 1.00 0.00 H new ATOM 163 N ALA A 15 -5.491 -6.209 6.310 1.00 0.00 N ATOM 164 CA ALA A 15 -4.752 -7.377 5.849 1.00 0.00 C ATOM 165 C ALA A 15 -3.320 -7.363 6.374 1.00 0.00 C ATOM 166 O ALA A 15 -2.557 -6.436 6.099 1.00 0.00 O ATOM 167 CB ALA A 15 -4.758 -7.439 4.329 1.00 0.00 C ATOM 0 H ALA A 15 -4.918 -5.377 6.454 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.246 -8.266 6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.202 -8.317 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.786 -7.504 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.290 -6.541 3.926 1.00 0.00 H new ATOM 173 N ASP A 16 -2.962 -8.395 7.129 1.00 0.00 N ATOM 174 CA ASP A 16 -1.621 -8.502 7.693 1.00 0.00 C ATOM 175 C ASP A 16 -0.670 -9.174 6.707 1.00 0.00 C ATOM 176 O ASP A 16 -0.679 -10.396 6.554 1.00 0.00 O ATOM 177 CB ASP A 16 -1.656 -9.288 9.004 1.00 0.00 C ATOM 178 CG ASP A 16 -0.274 -9.705 9.466 1.00 0.00 C ATOM 179 OD1 ASP A 16 0.262 -10.691 8.920 1.00 0.00 O ATOM 180 OD2 ASP A 16 0.272 -9.045 10.376 1.00 0.00 O ATOM 0 H ASP A 16 -3.582 -9.170 7.365 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.256 -7.495 7.894 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.126 -8.679 9.777 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.276 -10.175 8.876 1.00 0.00 H new ATOM 185 N LEU A 17 0.150 -8.368 6.041 1.00 0.00 N ATOM 186 CA LEU A 17 1.107 -8.884 5.069 1.00 0.00 C ATOM 187 C LEU A 17 2.533 -8.782 5.601 1.00 0.00 C ATOM 188 O LEU A 17 2.851 -7.934 6.436 1.00 0.00 O ATOM 189 CB LEU A 17 0.987 -8.119 3.750 1.00 0.00 C ATOM 190 CG LEU A 17 -0.403 -7.580 3.410 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.310 -6.496 2.347 1.00 0.00 C ATOM 192 CD2 LEU A 17 -1.313 -8.708 2.946 1.00 0.00 C ATOM 0 H LEU A 17 0.171 -7.355 6.157 1.00 0.00 H new ATOM 0 HA LEU A 17 0.878 -9.935 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.684 -7.281 3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.308 -8.776 2.942 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.832 -7.141 4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.309 -6.124 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.306 -5.676 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.139 -6.909 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.298 -8.306 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.888 -9.176 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.406 -9.450 3.739 1.00 0.00 H new ATOM 204 N PRO A 18 3.414 -9.665 5.108 1.00 0.00 N ATOM 205 CA PRO A 18 4.821 -9.693 5.518 1.00 0.00 C ATOM 206 C PRO A 18 5.597 -8.484 5.008 1.00 0.00 C ATOM 207 O PRO A 18 6.634 -8.121 5.562 1.00 0.00 O ATOM 208 CB PRO A 18 5.351 -10.978 4.879 1.00 0.00 C ATOM 209 CG PRO A 18 4.460 -11.215 3.709 1.00 0.00 C ATOM 210 CD PRO A 18 3.104 -10.703 4.111 1.00 0.00 C ATOM 0 HA PRO A 18 4.931 -9.664 6.602 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.390 -10.867 4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.315 -11.812 5.579 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.828 -10.693 2.826 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.418 -12.275 3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.561 -10.293 3.260 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.485 -11.494 4.534 1.00 0.00 H new ATOM 218 N ASN A 19 5.088 -7.864 3.948 1.00 0.00 N ATOM 219 CA ASN A 19 5.735 -6.695 3.363 1.00 0.00 C ATOM 220 C ASN A 19 5.222 -5.410 4.006 1.00 0.00 C ATOM 221 O ASN A 19 5.962 -4.437 4.149 1.00 0.00 O ATOM 222 CB ASN A 19 5.493 -6.655 1.853 1.00 0.00 C ATOM 223 CG ASN A 19 6.080 -7.858 1.141 1.00 0.00 C ATOM 224 OD1 ASN A 19 5.670 -8.995 1.378 1.00 0.00 O ATOM 225 ND2 ASN A 19 7.045 -7.613 0.262 1.00 0.00 N ATOM 0 H ASN A 19 4.230 -8.151 3.477 1.00 0.00 H new ATOM 0 HA ASN A 19 6.806 -6.771 3.551 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.421 -6.610 1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.929 -5.745 1.442 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.478 -8.383 -0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.354 -6.655 0.097 1.00 0.00 H new ATOM 232 N TYR A 20 3.951 -5.415 4.392 1.00 0.00 N ATOM 233 CA TYR A 20 3.338 -4.250 5.018 1.00 0.00 C ATOM 234 C TYR A 20 1.933 -4.575 5.515 1.00 0.00 C ATOM 235 O TYR A 20 1.285 -5.497 5.021 1.00 0.00 O ATOM 236 CB TYR A 20 3.284 -3.083 4.030 1.00 0.00 C ATOM 237 CG TYR A 20 2.843 -3.485 2.642 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.539 -3.902 2.400 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.728 -3.449 1.572 1.00 0.00 C ATOM 240 CE1 TYR A 20 1.131 -4.271 1.132 1.00 0.00 C ATOM 241 CE2 TYR A 20 3.328 -3.815 0.301 1.00 0.00 C ATOM 242 CZ TYR A 20 2.029 -4.225 0.086 1.00 0.00 C ATOM 243 OH TYR A 20 1.627 -4.592 -1.178 1.00 0.00 O ATOM 0 H TYR A 20 3.325 -6.213 4.282 1.00 0.00 H new ATOM 0 HA TYR A 20 3.950 -3.965 5.874 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.601 -2.325 4.414 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.270 -2.623 3.970 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.833 -3.938 3.216 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.746 -3.129 1.736 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.115 -4.594 0.961 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.029 -3.780 -0.520 1.00 0.00 H new ATOM 0 HH TYR A 20 0.668 -4.796 -1.170 1.00 0.00 H new ATOM 253 N ARG A 21 1.468 -3.809 6.497 1.00 0.00 N ATOM 254 CA ARG A 21 0.140 -4.015 7.063 1.00 0.00 C ATOM 255 C ARG A 21 -0.734 -2.780 6.862 1.00 0.00 C ATOM 256 O ARG A 21 -0.268 -1.649 6.996 1.00 0.00 O ATOM 257 CB ARG A 21 0.243 -4.342 8.554 1.00 0.00 C ATOM 258 CG ARG A 21 0.794 -3.200 9.392 1.00 0.00 C ATOM 259 CD ARG A 21 -0.321 -2.314 9.926 1.00 0.00 C ATOM 260 NE ARG A 21 0.197 -1.205 10.724 1.00 0.00 N ATOM 261 CZ ARG A 21 0.575 -1.326 11.992 1.00 0.00 C ATOM 262 NH1 ARG A 21 0.494 -2.500 12.602 1.00 0.00 N ATOM 263 NH2 ARG A 21 1.035 -0.270 12.651 1.00 0.00 N ATOM 0 H ARG A 21 1.991 -3.041 6.917 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.322 -4.855 6.545 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.745 -4.611 8.927 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.881 -5.216 8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.371 -3.603 10.225 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.479 -2.603 8.790 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.902 -1.920 9.092 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.000 -2.912 10.534 1.00 0.00 H new ATOM 0 HE ARG A 21 0.273 -0.288 10.284 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.141 -3.313 12.098 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.785 -2.590 13.575 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.098 0.635 12.184 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.325 -0.363 13.624 1.00 0.00 H new ATOM 277 N TRP A 22 -2.002 -3.006 6.537 1.00 0.00 N ATOM 278 CA TRP A 22 -2.941 -1.912 6.317 1.00 0.00 C ATOM 279 C TRP A 22 -4.291 -2.217 6.955 1.00 0.00 C ATOM 280 O TRP A 22 -4.685 -3.378 7.076 1.00 0.00 O ATOM 281 CB TRP A 22 -3.116 -1.658 4.819 1.00 0.00 C ATOM 282 CG TRP A 22 -3.623 -2.853 4.069 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.874 -3.782 3.404 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.990 -3.247 3.906 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.693 -4.729 2.838 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.995 -4.424 3.132 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.209 -2.721 4.341 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.173 -5.080 2.784 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.377 -3.373 3.995 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.352 -4.543 3.223 1.00 0.00 C ATOM 0 H TRP A 22 -2.403 -3.936 6.420 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.534 -1.016 6.785 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.808 -0.828 4.677 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.160 -1.351 4.396 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.796 -3.773 3.334 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.382 -5.530 2.288 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.238 -1.821 4.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.156 -5.981 2.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.325 -2.975 4.325 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.282 -5.030 2.970 1.00 0.00 H new ATOM 301 N THR A 23 -4.998 -1.168 7.363 1.00 0.00 N ATOM 302 CA THR A 23 -6.305 -1.324 7.990 1.00 0.00 C ATOM 303 C THR A 23 -7.376 -0.550 7.229 1.00 0.00 C ATOM 304 O THR A 23 -7.073 0.407 6.516 1.00 0.00 O ATOM 305 CB THR A 23 -6.286 -0.847 9.454 1.00 0.00 C ATOM 306 OG1 THR A 23 -5.914 0.535 9.515 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.314 -1.675 10.281 1.00 0.00 C ATOM 0 H THR A 23 -4.687 -0.201 7.271 1.00 0.00 H new ATOM 0 HA THR A 23 -6.543 -2.388 7.965 1.00 0.00 H new ATOM 0 HB THR A 23 -7.287 -0.972 9.866 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.906 0.831 10.449 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.318 -1.319 11.311 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.616 -2.722 10.257 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.310 -1.578 9.868 1.00 0.00 H new ATOM 315 N GLN A 24 -8.627 -0.969 7.387 1.00 0.00 N ATOM 316 CA GLN A 24 -9.742 -0.314 6.715 1.00 0.00 C ATOM 317 C GLN A 24 -10.909 -0.104 7.674 1.00 0.00 C ATOM 318 O GLN A 24 -11.271 -1.002 8.435 1.00 0.00 O ATOM 319 CB GLN A 24 -10.198 -1.143 5.512 1.00 0.00 C ATOM 320 CG GLN A 24 -10.825 -2.474 5.893 1.00 0.00 C ATOM 321 CD GLN A 24 -11.415 -3.204 4.702 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.483 -2.845 4.207 1.00 0.00 O ATOM 323 NE2 GLN A 24 -10.719 -4.234 4.236 1.00 0.00 N ATOM 0 H GLN A 24 -8.894 -1.759 7.974 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.401 0.661 6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.918 -0.564 4.934 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.342 -1.327 4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.071 -3.105 6.364 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.606 -2.304 6.634 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.838 -4.496 4.678 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.065 -4.763 3.436 1.00 0.00 H new ATOM 332 N THR A 25 -11.495 1.089 7.633 1.00 0.00 N ATOM 333 CA THR A 25 -12.620 1.417 8.499 1.00 0.00 C ATOM 334 C THR A 25 -13.729 2.115 7.719 1.00 0.00 C ATOM 335 O THR A 25 -13.463 2.934 6.839 1.00 0.00 O ATOM 336 CB THR A 25 -12.184 2.321 9.668 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.719 3.579 9.167 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.085 1.656 10.484 1.00 0.00 C ATOM 0 H THR A 25 -11.209 1.844 7.009 1.00 0.00 H new ATOM 0 HA THR A 25 -12.997 0.475 8.898 1.00 0.00 H new ATOM 0 HB THR A 25 -13.046 2.485 10.314 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.010 3.427 8.508 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.793 2.312 11.304 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.452 0.712 10.888 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.222 1.466 9.846 1.00 0.00 H new ATOM 346 N LEU A 26 -14.974 1.786 8.048 1.00 0.00 N ATOM 347 CA LEU A 26 -16.125 2.382 7.378 1.00 0.00 C ATOM 348 C LEU A 26 -15.869 3.852 7.062 1.00 0.00 C ATOM 349 O LEU A 26 -16.414 4.394 6.100 1.00 0.00 O ATOM 350 CB LEU A 26 -17.374 2.246 8.250 1.00 0.00 C ATOM 351 CG LEU A 26 -18.183 0.961 8.067 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.336 0.911 9.058 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.700 0.856 6.640 1.00 0.00 C ATOM 0 H LEU A 26 -15.212 1.110 8.774 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.285 1.850 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.073 2.316 9.295 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.027 3.095 8.049 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.528 0.111 8.259 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.901 -0.010 8.913 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.944 0.940 10.075 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.991 1.767 8.897 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.273 -0.064 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.339 1.711 6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.858 0.846 5.948 1.00 0.00 H new ATOM 365 N ALA A 27 -15.036 4.491 7.876 1.00 0.00 N ATOM 366 CA ALA A 27 -14.705 5.897 7.681 1.00 0.00 C ATOM 367 C ALA A 27 -13.648 6.066 6.594 1.00 0.00 C ATOM 368 O ALA A 27 -13.912 6.654 5.546 1.00 0.00 O ATOM 369 CB ALA A 27 -14.226 6.513 8.987 1.00 0.00 C ATOM 0 H ALA A 27 -14.578 4.057 8.677 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.607 6.416 7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.982 7.563 8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.013 6.434 9.737 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.339 5.984 9.335 1.00 0.00 H new ATOM 375 N GLU A 28 -12.452 5.548 6.853 1.00 0.00 N ATOM 376 CA GLU A 28 -11.356 5.644 5.896 1.00 0.00 C ATOM 377 C GLU A 28 -10.406 4.458 6.037 1.00 0.00 C ATOM 378 O GLU A 28 -10.560 3.627 6.933 1.00 0.00 O ATOM 379 CB GLU A 28 -10.588 6.953 6.096 1.00 0.00 C ATOM 380 CG GLU A 28 -10.068 7.144 7.511 1.00 0.00 C ATOM 381 CD GLU A 28 -9.979 8.604 7.907 1.00 0.00 C ATOM 382 OE1 GLU A 28 -10.728 9.422 7.334 1.00 0.00 O ATOM 383 OE2 GLU A 28 -9.159 8.929 8.792 1.00 0.00 O ATOM 0 H GLU A 28 -12.217 5.058 7.716 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.781 5.630 4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.748 6.981 5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.239 7.789 5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.723 6.621 8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.082 6.687 7.597 1.00 0.00 H new ATOM 390 N LEU A 29 -9.423 4.386 5.146 1.00 0.00 N ATOM 391 CA LEU A 29 -8.447 3.302 5.168 1.00 0.00 C ATOM 392 C LEU A 29 -7.069 3.818 5.570 1.00 0.00 C ATOM 393 O LEU A 29 -6.831 5.026 5.597 1.00 0.00 O ATOM 394 CB LEU A 29 -8.372 2.628 3.797 1.00 0.00 C ATOM 395 CG LEU A 29 -7.956 1.157 3.795 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.606 0.420 2.634 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.441 1.031 3.727 1.00 0.00 C ATOM 0 H LEU A 29 -9.281 5.066 4.399 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.771 2.570 5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.349 2.709 3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.668 3.185 3.178 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.297 0.702 4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.298 -0.626 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.690 0.480 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.296 0.876 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.163 -0.023 3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.077 1.503 2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.996 1.523 4.592 1.00 0.00 H new ATOM 409 N ASP A 30 -6.165 2.896 5.879 1.00 0.00 N ATOM 410 CA ASP A 30 -4.809 3.257 6.276 1.00 0.00 C ATOM 411 C ASP A 30 -3.816 2.172 5.871 1.00 0.00 C ATOM 412 O ASP A 30 -4.162 0.991 5.809 1.00 0.00 O ATOM 413 CB ASP A 30 -4.741 3.490 7.786 1.00 0.00 C ATOM 414 CG ASP A 30 -3.574 4.372 8.185 1.00 0.00 C ATOM 415 OD1 ASP A 30 -3.469 5.494 7.648 1.00 0.00 O ATOM 416 OD2 ASP A 30 -2.766 3.939 9.033 1.00 0.00 O ATOM 0 H ASP A 30 -6.346 1.892 5.862 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.541 4.180 5.762 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.671 3.949 8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.657 2.530 8.295 1.00 0.00 H new ATOM 421 N LEU A 31 -2.582 2.579 5.595 1.00 0.00 N ATOM 422 CA LEU A 31 -1.539 1.641 5.194 1.00 0.00 C ATOM 423 C LEU A 31 -0.223 1.957 5.899 1.00 0.00 C ATOM 424 O LEU A 31 0.080 3.117 6.177 1.00 0.00 O ATOM 425 CB LEU A 31 -1.342 1.684 3.678 1.00 0.00 C ATOM 426 CG LEU A 31 0.073 1.393 3.176 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.399 -0.085 3.328 1.00 0.00 C ATOM 428 CD2 LEU A 31 0.225 1.828 1.726 1.00 0.00 C ATOM 0 H LEU A 31 -2.279 3.552 5.641 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.854 0.639 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.023 0.964 3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.637 2.671 3.321 1.00 0.00 H new ATOM 0 HG LEU A 31 0.777 1.964 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.410 -0.274 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.332 -0.366 4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.310 -0.676 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.238 1.613 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.489 1.285 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.034 2.898 1.645 1.00 0.00 H new ATOM 440 N ALA A 32 0.555 0.918 6.181 1.00 0.00 N ATOM 441 CA ALA A 32 1.840 1.085 6.849 1.00 0.00 C ATOM 442 C ALA A 32 2.906 0.195 6.218 1.00 0.00 C ATOM 443 O ALA A 32 2.840 -1.031 6.311 1.00 0.00 O ATOM 444 CB ALA A 32 1.707 0.781 8.334 1.00 0.00 C ATOM 0 H ALA A 32 0.318 -0.049 5.957 1.00 0.00 H new ATOM 0 HA ALA A 32 2.152 2.122 6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.674 0.910 8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.983 1.462 8.781 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.369 -0.247 8.466 1.00 0.00 H new ATOM 450 N VAL A 33 3.888 0.820 5.576 1.00 0.00 N ATOM 451 CA VAL A 33 4.969 0.085 4.930 1.00 0.00 C ATOM 452 C VAL A 33 6.286 0.277 5.674 1.00 0.00 C ATOM 453 O VAL A 33 6.935 1.319 5.578 1.00 0.00 O ATOM 454 CB VAL A 33 5.150 0.524 3.466 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.323 -0.206 2.830 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.871 0.286 2.676 1.00 0.00 C ATOM 0 H VAL A 33 3.957 1.834 5.489 1.00 0.00 H new ATOM 0 HA VAL A 33 4.693 -0.969 4.953 1.00 0.00 H new ATOM 0 HB VAL A 33 5.366 1.592 3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.435 0.118 1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.235 0.021 3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.141 -1.280 2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.017 0.602 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.621 -0.775 2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.057 0.860 3.119 1.00 0.00 H new ATOM 466 N PRO A 34 6.691 -0.750 6.434 1.00 0.00 N ATOM 467 CA PRO A 34 7.936 -0.719 7.209 1.00 0.00 C ATOM 468 C PRO A 34 9.174 -0.761 6.320 1.00 0.00 C ATOM 469 O PRO A 34 9.326 -1.660 5.493 1.00 0.00 O ATOM 470 CB PRO A 34 7.851 -1.984 8.067 1.00 0.00 C ATOM 471 CG PRO A 34 6.962 -2.902 7.302 1.00 0.00 C ATOM 472 CD PRO A 34 5.967 -2.023 6.596 1.00 0.00 C ATOM 0 HA PRO A 34 8.033 0.200 7.787 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.836 -2.424 8.221 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.441 -1.767 9.053 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.534 -3.495 6.588 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.459 -3.603 7.968 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.671 -2.442 5.634 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.057 -1.896 7.182 1.00 0.00 H new ATOM 480 N PHE A 35 10.056 0.217 6.495 1.00 0.00 N ATOM 481 CA PHE A 35 11.281 0.292 5.708 1.00 0.00 C ATOM 482 C PHE A 35 12.505 0.029 6.580 1.00 0.00 C ATOM 483 O PHE A 35 12.792 0.784 7.509 1.00 0.00 O ATOM 484 CB PHE A 35 11.401 1.664 5.041 1.00 0.00 C ATOM 485 CG PHE A 35 10.583 1.795 3.788 1.00 0.00 C ATOM 486 CD1 PHE A 35 10.906 1.066 2.655 1.00 0.00 C ATOM 487 CD2 PHE A 35 9.491 2.647 3.743 1.00 0.00 C ATOM 488 CE1 PHE A 35 10.156 1.186 1.500 1.00 0.00 C ATOM 489 CE2 PHE A 35 8.737 2.770 2.592 1.00 0.00 C ATOM 490 CZ PHE A 35 9.069 2.038 1.469 1.00 0.00 C ATOM 0 H PHE A 35 9.945 0.969 7.175 1.00 0.00 H new ATOM 0 HA PHE A 35 11.235 -0.477 4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.091 2.432 5.750 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.448 1.853 4.803 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.753 0.396 2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.226 3.222 4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.420 0.614 0.623 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.889 3.438 2.570 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.480 2.131 0.569 1.00 0.00 H new ATOM 500 N ARG A 36 13.222 -1.047 6.274 1.00 0.00 N ATOM 501 CA ARG A 36 14.414 -1.411 7.030 1.00 0.00 C ATOM 502 C ARG A 36 15.491 -0.338 6.898 1.00 0.00 C ATOM 503 O ARG A 36 16.426 -0.476 6.110 1.00 0.00 O ATOM 504 CB ARG A 36 14.958 -2.757 6.548 1.00 0.00 C ATOM 505 CG ARG A 36 14.142 -3.949 7.020 1.00 0.00 C ATOM 506 CD ARG A 36 14.243 -5.114 6.048 1.00 0.00 C ATOM 507 NE ARG A 36 13.301 -6.181 6.372 1.00 0.00 N ATOM 508 CZ ARG A 36 13.543 -7.125 7.275 1.00 0.00 C ATOM 509 NH1 ARG A 36 14.690 -7.134 7.940 1.00 0.00 N ATOM 510 NH2 ARG A 36 12.635 -8.063 7.515 1.00 0.00 N ATOM 0 H ARG A 36 12.998 -1.682 5.508 1.00 0.00 H new ATOM 0 HA ARG A 36 14.136 -1.494 8.081 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.989 -2.757 5.458 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.985 -2.870 6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.491 -4.263 8.004 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.098 -3.656 7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.053 -4.758 5.035 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.258 -5.510 6.062 1.00 0.00 H new ATOM 0 HE ARG A 36 12.409 -6.203 5.878 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.390 -6.415 7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.872 -7.860 8.633 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.751 -8.059 7.006 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.821 -8.788 8.208 1.00 0.00 H new ATOM 524 N VAL A 37 15.351 0.732 7.675 1.00 0.00 N ATOM 525 CA VAL A 37 16.312 1.828 7.645 1.00 0.00 C ATOM 526 C VAL A 37 16.865 2.112 9.037 1.00 0.00 C ATOM 527 O VAL A 37 16.157 1.983 10.036 1.00 0.00 O ATOM 528 CB VAL A 37 15.677 3.115 7.085 1.00 0.00 C ATOM 529 CG1 VAL A 37 15.260 2.918 5.636 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.490 3.538 7.937 1.00 0.00 C ATOM 0 H VAL A 37 14.582 0.863 8.332 1.00 0.00 H new ATOM 0 HA VAL A 37 17.126 1.518 6.990 1.00 0.00 H new ATOM 0 HB VAL A 37 16.421 3.911 7.119 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.814 3.838 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 37 16.135 2.666 5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.532 2.109 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.054 4.449 7.527 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.742 2.746 7.937 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.823 3.723 8.958 1.00 0.00 H new ATOM 540 N SER A 38 18.136 2.498 9.096 1.00 0.00 N ATOM 541 CA SER A 38 18.786 2.797 10.366 1.00 0.00 C ATOM 542 C SER A 38 18.908 4.304 10.573 1.00 0.00 C ATOM 543 O SER A 38 19.746 4.771 11.345 1.00 0.00 O ATOM 544 CB SER A 38 20.171 2.150 10.419 1.00 0.00 C ATOM 545 OG SER A 38 20.102 0.840 10.954 1.00 0.00 O ATOM 0 H SER A 38 18.736 2.611 8.279 1.00 0.00 H new ATOM 0 HA SER A 38 18.170 2.387 11.166 1.00 0.00 H new ATOM 0 HB2 SER A 38 20.598 2.115 9.417 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.838 2.760 11.028 1.00 0.00 H new ATOM 0 HG SER A 38 21.000 0.448 10.976 1.00 0.00 H new ATOM 551 N PHE A 39 18.066 5.060 9.877 1.00 0.00 N ATOM 552 CA PHE A 39 18.079 6.515 9.982 1.00 0.00 C ATOM 553 C PHE A 39 16.670 7.083 9.837 1.00 0.00 C ATOM 554 O PHE A 39 15.695 6.337 9.743 1.00 0.00 O ATOM 555 CB PHE A 39 18.995 7.116 8.914 1.00 0.00 C ATOM 556 CG PHE A 39 18.606 6.746 7.512 1.00 0.00 C ATOM 557 CD1 PHE A 39 18.972 5.520 6.978 1.00 0.00 C ATOM 558 CD2 PHE A 39 17.874 7.622 6.727 1.00 0.00 C ATOM 559 CE1 PHE A 39 18.616 5.177 5.688 1.00 0.00 C ATOM 560 CE2 PHE A 39 17.515 7.284 5.436 1.00 0.00 C ATOM 561 CZ PHE A 39 17.885 6.059 4.916 1.00 0.00 C ATOM 0 H PHE A 39 17.366 4.690 9.234 1.00 0.00 H new ATOM 0 HA PHE A 39 18.459 6.780 10.969 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.987 8.202 9.010 1.00 0.00 H new ATOM 0 HB3 PHE A 39 20.018 6.787 9.097 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.542 4.825 7.577 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.580 8.581 7.129 1.00 0.00 H new ATOM 0 HE1 PHE A 39 18.909 4.220 5.283 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.946 7.977 4.834 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.603 5.791 3.908 1.00 0.00 H new ATOM 571 N ARG A 40 16.572 8.408 9.822 1.00 0.00 N ATOM 572 CA ARG A 40 15.283 9.077 9.691 1.00 0.00 C ATOM 573 C ARG A 40 14.967 9.366 8.226 1.00 0.00 C ATOM 574 O ARG A 40 15.727 10.049 7.539 1.00 0.00 O ATOM 575 CB ARG A 40 15.277 10.381 10.492 1.00 0.00 C ATOM 576 CG ARG A 40 13.887 10.839 10.900 1.00 0.00 C ATOM 577 CD ARG A 40 13.394 10.094 12.131 1.00 0.00 C ATOM 578 NE ARG A 40 14.126 10.481 13.334 1.00 0.00 N ATOM 579 CZ ARG A 40 13.814 11.538 14.076 1.00 0.00 C ATOM 580 NH1 ARG A 40 12.790 12.309 13.739 1.00 0.00 N ATOM 581 NH2 ARG A 40 14.528 11.825 15.157 1.00 0.00 N ATOM 0 H ARG A 40 17.369 9.039 9.899 1.00 0.00 H new ATOM 0 HA ARG A 40 14.515 8.412 10.086 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.885 10.250 11.387 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.749 11.164 9.898 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.900 11.910 11.103 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.193 10.679 10.075 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.332 10.292 12.273 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.500 9.021 11.972 1.00 0.00 H new ATOM 0 HE ARG A 40 14.920 9.909 13.620 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.239 12.091 12.908 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.552 13.120 14.310 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.317 11.234 15.419 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.288 12.637 15.726 1.00 0.00 H new ATOM 595 N LEU A 41 13.840 8.843 7.755 1.00 0.00 N ATOM 596 CA LEU A 41 13.423 9.043 6.372 1.00 0.00 C ATOM 597 C LEU A 41 12.955 10.478 6.147 1.00 0.00 C ATOM 598 O LEU A 41 12.538 11.160 7.083 1.00 0.00 O ATOM 599 CB LEU A 41 12.303 8.067 6.010 1.00 0.00 C ATOM 600 CG LEU A 41 12.707 6.597 5.889 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.494 5.734 5.578 1.00 0.00 C ATOM 602 CD2 LEU A 41 13.776 6.423 4.821 1.00 0.00 C ATOM 0 H LEU A 41 13.199 8.277 8.311 1.00 0.00 H new ATOM 0 HA LEU A 41 14.282 8.855 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.520 8.147 6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.866 8.382 5.063 1.00 0.00 H new ATOM 0 HG LEU A 41 13.121 6.275 6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.801 4.691 5.495 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.761 5.834 6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.049 6.057 4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.051 5.371 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.389 6.763 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.655 7.010 5.087 1.00 0.00 H new ATOM 614 N LYS A 42 13.025 10.929 4.899 1.00 0.00 N ATOM 615 CA LYS A 42 12.605 12.281 4.549 1.00 0.00 C ATOM 616 C LYS A 42 11.537 12.254 3.461 1.00 0.00 C ATOM 617 O LYS A 42 11.583 11.427 2.552 1.00 0.00 O ATOM 618 CB LYS A 42 13.807 13.104 4.079 1.00 0.00 C ATOM 619 CG LYS A 42 14.936 13.165 5.092 1.00 0.00 C ATOM 620 CD LYS A 42 14.774 14.344 6.038 1.00 0.00 C ATOM 621 CE LYS A 42 13.966 13.963 7.269 1.00 0.00 C ATOM 622 NZ LYS A 42 14.142 14.947 8.373 1.00 0.00 N ATOM 0 H LYS A 42 13.369 10.378 4.113 1.00 0.00 H new ATOM 0 HA LYS A 42 12.180 12.745 5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.187 12.679 3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.477 14.118 3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.962 12.238 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.890 13.244 4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.756 14.705 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.281 15.165 5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.910 13.898 7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.270 12.974 7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.576 14.653 9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.146 14.991 8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.828 15.886 8.055 1.00 0.00 H new ATOM 636 N GLY A 43 10.574 13.167 3.561 1.00 0.00 N ATOM 637 CA GLY A 43 9.509 13.231 2.578 1.00 0.00 C ATOM 638 C GLY A 43 10.019 13.077 1.159 1.00 0.00 C ATOM 639 O GLY A 43 9.380 12.432 0.327 1.00 0.00 O ATOM 0 H GLY A 43 10.513 13.862 4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.780 12.448 2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.989 14.184 2.672 1.00 0.00 H new ATOM 643 N LYS A 44 11.173 13.672 0.879 1.00 0.00 N ATOM 644 CA LYS A 44 11.770 13.600 -0.450 1.00 0.00 C ATOM 645 C LYS A 44 12.423 12.240 -0.679 1.00 0.00 C ATOM 646 O LYS A 44 12.495 11.759 -1.810 1.00 0.00 O ATOM 647 CB LYS A 44 12.807 14.712 -0.627 1.00 0.00 C ATOM 648 CG LYS A 44 13.863 14.738 0.464 1.00 0.00 C ATOM 649 CD LYS A 44 15.201 15.226 -0.066 1.00 0.00 C ATOM 650 CE LYS A 44 15.354 16.729 0.106 1.00 0.00 C ATOM 651 NZ LYS A 44 14.651 17.485 -0.966 1.00 0.00 N ATOM 0 H LYS A 44 11.715 14.210 1.555 1.00 0.00 H new ATOM 0 HA LYS A 44 10.977 13.732 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.297 14.590 -1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.295 15.674 -0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.533 15.387 1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.979 13.738 0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.009 14.715 0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.291 14.968 -1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.959 17.025 1.078 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.412 16.989 0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.890 18.495 -0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.947 17.126 -1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.624 17.364 -0.860 1.00 0.00 H new ATOM 665 N ASP A 45 12.896 11.626 0.400 1.00 0.00 N ATOM 666 CA ASP A 45 13.540 10.321 0.316 1.00 0.00 C ATOM 667 C ASP A 45 12.551 9.255 -0.146 1.00 0.00 C ATOM 668 O ASP A 45 12.890 8.385 -0.948 1.00 0.00 O ATOM 669 CB ASP A 45 14.132 9.932 1.671 1.00 0.00 C ATOM 670 CG ASP A 45 15.146 8.811 1.561 1.00 0.00 C ATOM 671 OD1 ASP A 45 14.907 7.870 0.774 1.00 0.00 O ATOM 672 OD2 ASP A 45 16.178 8.874 2.260 1.00 0.00 O ATOM 0 H ASP A 45 12.845 12.011 1.343 1.00 0.00 H new ATOM 0 HA ASP A 45 14.344 10.387 -0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.607 10.804 2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.328 9.626 2.341 1.00 0.00 H new ATOM 677 N VAL A 46 11.327 9.330 0.366 1.00 0.00 N ATOM 678 CA VAL A 46 10.288 8.372 0.007 1.00 0.00 C ATOM 679 C VAL A 46 9.442 8.888 -1.152 1.00 0.00 C ATOM 680 O VAL A 46 9.365 10.093 -1.390 1.00 0.00 O ATOM 681 CB VAL A 46 9.368 8.066 1.204 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.161 7.443 2.342 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.659 9.330 1.667 1.00 0.00 C ATOM 0 H VAL A 46 11.030 10.044 1.031 1.00 0.00 H new ATOM 0 HA VAL A 46 10.794 7.455 -0.296 1.00 0.00 H new ATOM 0 HB VAL A 46 8.612 7.348 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.494 7.234 3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.618 6.514 2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.940 8.134 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.013 9.096 2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.398 10.072 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.057 9.729 0.851 1.00 0.00 H new ATOM 693 N VAL A 47 8.807 7.967 -1.870 1.00 0.00 N ATOM 694 CA VAL A 47 7.965 8.328 -3.004 1.00 0.00 C ATOM 695 C VAL A 47 6.566 7.740 -2.858 1.00 0.00 C ATOM 696 O VAL A 47 6.370 6.533 -3.001 1.00 0.00 O ATOM 697 CB VAL A 47 8.576 7.847 -4.333 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.651 8.173 -5.496 1.00 0.00 C ATOM 699 CG2 VAL A 47 9.949 8.467 -4.543 1.00 0.00 C ATOM 0 H VAL A 47 8.860 6.965 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 47 7.900 9.416 -3.016 1.00 0.00 H new ATOM 0 HB VAL A 47 8.694 6.764 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.100 7.825 -6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.692 7.677 -5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.497 9.251 -5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.366 8.116 -5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.858 9.553 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.608 8.177 -3.725 1.00 0.00 H new ATOM 709 N VAL A 48 5.595 8.602 -2.573 1.00 0.00 N ATOM 710 CA VAL A 48 4.212 8.168 -2.409 1.00 0.00 C ATOM 711 C VAL A 48 3.285 8.918 -3.360 1.00 0.00 C ATOM 712 O VAL A 48 3.098 10.128 -3.235 1.00 0.00 O ATOM 713 CB VAL A 48 3.725 8.379 -0.963 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.247 8.042 -0.842 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.551 7.544 0.004 1.00 0.00 C ATOM 0 H VAL A 48 5.740 9.604 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 48 4.184 7.104 -2.642 1.00 0.00 H new ATOM 0 HB VAL A 48 3.856 9.430 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.921 8.197 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.671 8.687 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.087 7.000 -1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.193 7.705 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.454 6.489 -0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.598 7.839 -0.063 1.00 0.00 H new ATOM 725 N ASP A 49 2.707 8.190 -4.309 1.00 0.00 N ATOM 726 CA ASP A 49 1.797 8.785 -5.281 1.00 0.00 C ATOM 727 C ASP A 49 0.362 8.336 -5.028 1.00 0.00 C ATOM 728 O ASP A 49 0.021 7.170 -5.232 1.00 0.00 O ATOM 729 CB ASP A 49 2.219 8.411 -6.702 1.00 0.00 C ATOM 730 CG ASP A 49 1.489 9.221 -7.756 1.00 0.00 C ATOM 731 OD1 ASP A 49 0.247 9.320 -7.673 1.00 0.00 O ATOM 732 OD2 ASP A 49 2.160 9.756 -8.662 1.00 0.00 O ATOM 0 H ASP A 49 2.852 7.187 -4.426 1.00 0.00 H new ATOM 0 HA ASP A 49 1.844 9.868 -5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.293 8.563 -6.811 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.029 7.350 -6.867 1.00 0.00 H new ATOM 737 N ILE A 50 -0.475 9.267 -4.581 1.00 0.00 N ATOM 738 CA ILE A 50 -1.873 8.966 -4.301 1.00 0.00 C ATOM 739 C ILE A 50 -2.783 9.513 -5.395 1.00 0.00 C ATOM 740 O ILE A 50 -2.706 10.689 -5.748 1.00 0.00 O ATOM 741 CB ILE A 50 -2.313 9.547 -2.944 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.411 9.023 -1.824 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.768 9.200 -2.666 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.627 9.719 -0.499 1.00 0.00 C ATOM 0 H ILE A 50 -0.209 10.236 -4.405 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.961 7.880 -4.268 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.220 10.632 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.587 7.955 -1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.369 9.142 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.064 9.617 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.398 9.617 -3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.886 8.117 -2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.955 9.297 0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.423 10.784 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.659 9.579 -0.178 1.00 0.00 H new ATOM 756 N GLN A 51 -3.647 8.653 -5.924 1.00 0.00 N ATOM 757 CA GLN A 51 -4.573 9.051 -6.977 1.00 0.00 C ATOM 758 C GLN A 51 -6.005 8.670 -6.616 1.00 0.00 C ATOM 759 O GLN A 51 -6.259 8.119 -5.544 1.00 0.00 O ATOM 760 CB GLN A 51 -4.180 8.401 -8.305 1.00 0.00 C ATOM 761 CG GLN A 51 -3.216 9.238 -9.130 1.00 0.00 C ATOM 762 CD GLN A 51 -2.460 8.416 -10.156 1.00 0.00 C ATOM 763 OE1 GLN A 51 -2.929 7.365 -10.594 1.00 0.00 O ATOM 764 NE2 GLN A 51 -1.284 8.892 -10.546 1.00 0.00 N ATOM 0 H GLN A 51 -3.725 7.676 -5.641 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.520 10.135 -7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.726 7.431 -8.105 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.081 8.217 -8.890 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.770 10.027 -9.639 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.504 9.726 -8.465 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.934 9.767 -10.157 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.731 8.383 -11.235 1.00 0.00 H new ATOM 773 N ARG A 52 -6.936 8.967 -7.516 1.00 0.00 N ATOM 774 CA ARG A 52 -8.343 8.657 -7.290 1.00 0.00 C ATOM 775 C ARG A 52 -8.552 7.153 -7.145 1.00 0.00 C ATOM 776 O ARG A 52 -9.155 6.690 -6.176 1.00 0.00 O ATOM 777 CB ARG A 52 -9.196 9.192 -8.442 1.00 0.00 C ATOM 778 CG ARG A 52 -10.687 9.198 -8.144 1.00 0.00 C ATOM 779 CD ARG A 52 -11.047 10.270 -7.127 1.00 0.00 C ATOM 780 NE ARG A 52 -10.914 11.615 -7.679 1.00 0.00 N ATOM 781 CZ ARG A 52 -11.056 12.722 -6.959 1.00 0.00 C ATOM 782 NH1 ARG A 52 -11.333 12.645 -5.665 1.00 0.00 N ATOM 783 NH2 ARG A 52 -10.920 13.911 -7.534 1.00 0.00 N ATOM 0 H ARG A 52 -6.742 9.422 -8.408 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.651 9.140 -6.363 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.877 10.207 -8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.014 8.586 -9.330 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.243 9.368 -9.066 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.988 8.221 -7.766 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.071 10.117 -6.787 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.403 10.172 -6.253 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.700 11.710 -8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.438 11.734 -5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.441 13.497 -5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.706 13.975 -8.529 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.029 14.761 -6.980 1.00 0.00 H new ATOM 797 N ARG A 53 -8.049 6.394 -8.113 1.00 0.00 N ATOM 798 CA ARG A 53 -8.182 4.943 -8.094 1.00 0.00 C ATOM 799 C ARG A 53 -6.824 4.270 -8.273 1.00 0.00 C ATOM 800 O ARG A 53 -6.723 3.202 -8.877 1.00 0.00 O ATOM 801 CB ARG A 53 -9.140 4.482 -9.194 1.00 0.00 C ATOM 802 CG ARG A 53 -9.894 3.208 -8.851 1.00 0.00 C ATOM 803 CD ARG A 53 -11.260 3.172 -9.518 1.00 0.00 C ATOM 804 NE ARG A 53 -12.213 2.355 -8.771 1.00 0.00 N ATOM 805 CZ ARG A 53 -13.529 2.428 -8.933 1.00 0.00 C ATOM 806 NH1 ARG A 53 -14.046 3.276 -9.812 1.00 0.00 N ATOM 807 NH2 ARG A 53 -14.331 1.651 -8.217 1.00 0.00 N ATOM 0 H ARG A 53 -7.545 6.761 -8.921 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.587 4.654 -7.124 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.859 5.277 -9.394 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.575 4.324 -10.113 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.311 2.343 -9.167 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.014 3.135 -7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.646 4.187 -9.609 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.159 2.778 -10.529 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.848 1.692 -8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.432 3.874 -10.365 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.057 3.330 -9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.937 0.997 -7.541 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.342 1.708 -8.342 1.00 0.00 H new ATOM 821 N HIS A 54 -5.782 4.903 -7.743 1.00 0.00 N ATOM 822 CA HIS A 54 -4.429 4.366 -7.844 1.00 0.00 C ATOM 823 C HIS A 54 -3.545 4.907 -6.724 1.00 0.00 C ATOM 824 O HIS A 54 -3.618 6.086 -6.376 1.00 0.00 O ATOM 825 CB HIS A 54 -3.820 4.712 -9.203 1.00 0.00 C ATOM 826 CG HIS A 54 -2.766 3.747 -9.651 1.00 0.00 C ATOM 827 ND1 HIS A 54 -1.750 4.091 -10.517 1.00 0.00 N ATOM 828 CD2 HIS A 54 -2.574 2.442 -9.346 1.00 0.00 C ATOM 829 CE1 HIS A 54 -0.979 3.039 -10.727 1.00 0.00 C ATOM 830 NE2 HIS A 54 -1.457 2.025 -10.027 1.00 0.00 N ATOM 0 H HIS A 54 -5.848 5.788 -7.240 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.487 3.282 -7.746 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.613 4.743 -9.950 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.388 5.712 -9.154 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.186 1.841 -8.689 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.106 3.012 -11.363 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -1.061 1.086 -9.997 1.00 0.00 H new ATOM 839 N LEU A 55 -2.711 4.038 -6.164 1.00 0.00 N ATOM 840 CA LEU A 55 -1.813 4.428 -5.082 1.00 0.00 C ATOM 841 C LEU A 55 -0.436 3.798 -5.264 1.00 0.00 C ATOM 842 O LEU A 55 -0.320 2.647 -5.686 1.00 0.00 O ATOM 843 CB LEU A 55 -2.400 4.017 -3.731 1.00 0.00 C ATOM 844 CG LEU A 55 -1.432 4.025 -2.548 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.995 5.446 -2.226 1.00 0.00 C ATOM 846 CD2 LEU A 55 -2.073 3.374 -1.331 1.00 0.00 C ATOM 0 H LEU A 55 -2.638 3.059 -6.441 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.703 5.512 -5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.230 4.685 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.815 3.014 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.549 3.448 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.306 5.432 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.497 5.879 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.868 6.047 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.370 3.388 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.973 3.924 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.336 2.343 -1.566 1.00 0.00 H new ATOM 858 N ARG A 56 0.605 4.558 -4.941 1.00 0.00 N ATOM 859 CA ARG A 56 1.974 4.073 -5.067 1.00 0.00 C ATOM 860 C ARG A 56 2.824 4.531 -3.886 1.00 0.00 C ATOM 861 O ARG A 56 2.716 5.671 -3.433 1.00 0.00 O ATOM 862 CB ARG A 56 2.593 4.567 -6.376 1.00 0.00 C ATOM 863 CG ARG A 56 3.895 3.869 -6.735 1.00 0.00 C ATOM 864 CD ARG A 56 4.795 4.764 -7.573 1.00 0.00 C ATOM 865 NE ARG A 56 4.343 4.851 -8.959 1.00 0.00 N ATOM 866 CZ ARG A 56 4.581 3.914 -9.869 1.00 0.00 C ATOM 867 NH1 ARG A 56 5.263 2.825 -9.542 1.00 0.00 N ATOM 868 NH2 ARG A 56 4.137 4.065 -11.111 1.00 0.00 N ATOM 0 H ARG A 56 0.526 5.512 -4.590 1.00 0.00 H new ATOM 0 HA ARG A 56 1.948 2.983 -5.073 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.877 4.421 -7.185 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.774 5.639 -6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.417 3.578 -5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.678 2.953 -7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.821 5.763 -7.137 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.814 4.379 -7.548 1.00 0.00 H new ATOM 0 HE ARG A 56 3.816 5.677 -9.243 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.606 2.705 -8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.444 2.107 -10.243 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.612 4.902 -11.367 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.320 3.345 -11.809 1.00 0.00 H new ATOM 882 N VAL A 57 3.670 3.633 -3.389 1.00 0.00 N ATOM 883 CA VAL A 57 4.539 3.944 -2.260 1.00 0.00 C ATOM 884 C VAL A 57 5.897 3.268 -2.410 1.00 0.00 C ATOM 885 O VAL A 57 5.990 2.138 -2.888 1.00 0.00 O ATOM 886 CB VAL A 57 3.904 3.508 -0.926 1.00 0.00 C ATOM 887 CG1 VAL A 57 4.838 3.815 0.235 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.556 4.185 -0.731 1.00 0.00 C ATOM 0 H VAL A 57 3.772 2.685 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 57 4.674 5.026 -2.252 1.00 0.00 H new ATOM 0 HB VAL A 57 3.742 2.431 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.373 3.500 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.777 3.278 0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.034 4.887 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.122 3.865 0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.690 5.267 -0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.889 3.909 -1.547 1.00 0.00 H new ATOM 898 N GLY A 58 6.949 3.968 -1.997 1.00 0.00 N ATOM 899 CA GLY A 58 8.289 3.419 -2.093 1.00 0.00 C ATOM 900 C GLY A 58 9.360 4.444 -1.775 1.00 0.00 C ATOM 901 O GLY A 58 9.142 5.353 -0.974 1.00 0.00 O ATOM 0 H GLY A 58 6.897 4.905 -1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.383 2.576 -1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.448 3.032 -3.099 1.00 0.00 H new ATOM 905 N LEU A 59 10.521 4.298 -2.404 1.00 0.00 N ATOM 906 CA LEU A 59 11.631 5.218 -2.184 1.00 0.00 C ATOM 907 C LEU A 59 12.241 5.663 -3.509 1.00 0.00 C ATOM 908 O LEU A 59 12.264 4.907 -4.480 1.00 0.00 O ATOM 909 CB LEU A 59 12.702 4.557 -1.313 1.00 0.00 C ATOM 910 CG LEU A 59 12.240 4.062 0.058 1.00 0.00 C ATOM 911 CD1 LEU A 59 13.170 2.974 0.573 1.00 0.00 C ATOM 912 CD2 LEU A 59 12.169 5.217 1.046 1.00 0.00 C ATOM 0 H LEU A 59 10.718 3.551 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 59 11.245 6.098 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.117 3.711 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.513 5.270 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 59 11.241 3.638 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.826 2.634 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.171 2.136 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.181 3.372 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.838 4.846 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.155 5.670 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.462 5.963 0.683 1.00 0.00 H new ATOM 924 N LYS A 60 12.737 6.896 -3.542 1.00 0.00 N ATOM 925 CA LYS A 60 13.350 7.442 -4.746 1.00 0.00 C ATOM 926 C LYS A 60 14.356 6.460 -5.338 1.00 0.00 C ATOM 927 O LYS A 60 15.185 5.898 -4.623 1.00 0.00 O ATOM 928 CB LYS A 60 14.043 8.770 -4.433 1.00 0.00 C ATOM 929 CG LYS A 60 14.240 9.656 -5.651 1.00 0.00 C ATOM 930 CD LYS A 60 12.969 10.409 -6.004 1.00 0.00 C ATOM 931 CE LYS A 60 13.092 11.112 -7.348 1.00 0.00 C ATOM 932 NZ LYS A 60 13.996 12.293 -7.275 1.00 0.00 N ATOM 0 H LYS A 60 12.726 7.536 -2.748 1.00 0.00 H new ATOM 0 HA LYS A 60 12.561 7.614 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.455 9.311 -3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.014 8.566 -3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.044 10.367 -5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.550 9.046 -6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.129 9.715 -6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.752 11.142 -5.227 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.470 10.410 -8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.105 11.430 -7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.053 12.745 -8.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.622 12.974 -6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.945 11.986 -6.980 1.00 0.00 H new ATOM 946 N GLY A 61 14.277 6.258 -6.650 1.00 0.00 N ATOM 947 CA GLY A 61 15.187 5.344 -7.316 1.00 0.00 C ATOM 948 C GLY A 61 14.817 3.891 -7.092 1.00 0.00 C ATOM 949 O GLY A 61 14.729 3.113 -8.041 1.00 0.00 O ATOM 0 H GLY A 61 13.599 6.711 -7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.190 5.554 -8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.201 5.517 -6.954 1.00 0.00 H new ATOM 953 N GLN A 62 14.600 3.525 -5.832 1.00 0.00 N ATOM 954 CA GLN A 62 14.240 2.155 -5.487 1.00 0.00 C ATOM 955 C GLN A 62 12.853 1.806 -6.017 1.00 0.00 C ATOM 956 O GLN A 62 12.046 2.680 -6.335 1.00 0.00 O ATOM 957 CB GLN A 62 14.283 1.961 -3.970 1.00 0.00 C ATOM 958 CG GLN A 62 15.644 1.530 -3.450 1.00 0.00 C ATOM 959 CD GLN A 62 16.562 2.705 -3.173 1.00 0.00 C ATOM 960 OE1 GLN A 62 17.368 3.091 -4.020 1.00 0.00 O ATOM 961 NE2 GLN A 62 16.443 3.282 -1.983 1.00 0.00 N ATOM 0 H GLN A 62 14.667 4.158 -5.035 1.00 0.00 H new ATOM 0 HA GLN A 62 14.965 1.487 -5.953 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.997 2.894 -3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.542 1.214 -3.687 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.513 0.953 -2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.115 0.870 -4.179 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.761 2.929 -1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.033 4.078 -1.741 1.00 0.00 H new ATOM 970 N PRO A 63 12.569 0.499 -6.117 1.00 0.00 N ATOM 971 CA PRO A 63 11.279 0.006 -6.609 1.00 0.00 C ATOM 972 C PRO A 63 10.142 0.279 -5.630 1.00 0.00 C ATOM 973 O PRO A 63 10.319 0.248 -4.412 1.00 0.00 O ATOM 974 CB PRO A 63 11.509 -1.501 -6.755 1.00 0.00 C ATOM 975 CG PRO A 63 12.600 -1.813 -5.790 1.00 0.00 C ATOM 976 CD PRO A 63 13.484 -0.597 -5.757 1.00 0.00 C ATOM 0 HA PRO A 63 10.980 0.498 -7.535 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.604 -2.064 -6.525 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.796 -1.761 -7.774 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.196 -2.029 -4.801 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.160 -2.694 -6.105 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.923 -0.446 -4.771 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.309 -0.681 -6.464 1.00 0.00 H new ATOM 984 N PRO A 64 8.946 0.552 -6.173 1.00 0.00 N ATOM 985 CA PRO A 64 7.757 0.835 -5.364 1.00 0.00 C ATOM 986 C PRO A 64 7.249 -0.400 -4.627 1.00 0.00 C ATOM 987 O PRO A 64 6.895 -1.402 -5.247 1.00 0.00 O ATOM 988 CB PRO A 64 6.728 1.301 -6.398 1.00 0.00 C ATOM 989 CG PRO A 64 7.162 0.670 -7.675 1.00 0.00 C ATOM 990 CD PRO A 64 8.663 0.606 -7.617 1.00 0.00 C ATOM 0 HA PRO A 64 7.960 1.568 -4.583 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.721 0.987 -6.124 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.712 2.388 -6.479 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.733 -0.326 -7.783 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.829 1.255 -8.532 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.048 -0.272 -8.135 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.121 1.478 -8.084 1.00 0.00 H new ATOM 998 N VAL A 65 7.217 -0.320 -3.301 1.00 0.00 N ATOM 999 CA VAL A 65 6.752 -1.431 -2.479 1.00 0.00 C ATOM 1000 C VAL A 65 5.271 -1.707 -2.717 1.00 0.00 C ATOM 1001 O VAL A 65 4.841 -2.861 -2.748 1.00 0.00 O ATOM 1002 CB VAL A 65 6.977 -1.154 -0.981 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.438 -2.301 -0.139 1.00 0.00 C ATOM 1004 CG2 VAL A 65 8.453 -0.922 -0.699 1.00 0.00 C ATOM 0 H VAL A 65 7.508 0.503 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 65 7.334 -2.306 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 65 6.432 -0.250 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.606 -2.088 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.369 -2.415 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.952 -3.223 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.594 -0.728 0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.022 -1.807 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.803 -0.065 -1.274 1.00 0.00 H new ATOM 1014 N VAL A 66 4.495 -0.641 -2.885 1.00 0.00 N ATOM 1015 CA VAL A 66 3.062 -0.769 -3.122 1.00 0.00 C ATOM 1016 C VAL A 66 2.675 -0.187 -4.477 1.00 0.00 C ATOM 1017 O VAL A 66 2.871 1.002 -4.732 1.00 0.00 O ATOM 1018 CB VAL A 66 2.247 -0.065 -2.021 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.758 -0.157 -2.318 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.565 -0.661 -0.658 1.00 0.00 C ATOM 0 H VAL A 66 4.834 0.321 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 66 2.832 -1.834 -3.109 1.00 0.00 H new ATOM 0 HB VAL A 66 2.526 0.989 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.198 0.346 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.547 0.322 -3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.460 -1.205 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.980 -0.151 0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.316 -1.722 -0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.627 -0.537 -0.446 1.00 0.00 H new ATOM 1030 N ASP A 67 2.125 -1.032 -5.342 1.00 0.00 N ATOM 1031 CA ASP A 67 1.709 -0.601 -6.671 1.00 0.00 C ATOM 1032 C ASP A 67 0.548 -1.451 -7.179 1.00 0.00 C ATOM 1033 O ASP A 67 0.693 -2.654 -7.393 1.00 0.00 O ATOM 1034 CB ASP A 67 2.883 -0.684 -7.648 1.00 0.00 C ATOM 1035 CG ASP A 67 2.451 -0.494 -9.089 1.00 0.00 C ATOM 1036 OD1 ASP A 67 1.573 0.358 -9.338 1.00 0.00 O ATOM 1037 OD2 ASP A 67 2.991 -1.198 -9.968 1.00 0.00 O ATOM 0 H ASP A 67 1.957 -2.019 -5.147 1.00 0.00 H new ATOM 0 HA ASP A 67 1.376 0.434 -6.603 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.621 0.075 -7.390 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.372 -1.653 -7.543 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.605 -0.817 -7.369 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.774 -1.530 -7.848 1.00 0.00 C ATOM 1044 C GLY A 68 -3.030 -0.682 -7.803 1.00 0.00 C ATOM 1045 O GLY A 68 -3.125 0.255 -7.011 1.00 0.00 O ATOM 0 H GLY A 68 -0.750 0.178 -7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.599 -1.861 -8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.922 -2.425 -7.244 1.00 0.00 H new ATOM 1049 N GLU A 69 -3.995 -1.011 -8.656 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.250 -0.270 -8.711 1.00 0.00 C ATOM 1051 C GLU A 69 -6.047 -0.455 -7.423 1.00 0.00 C ATOM 1052 O GLU A 69 -6.230 -1.576 -6.948 1.00 0.00 O ATOM 1053 CB GLU A 69 -6.084 -0.725 -9.910 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.467 -0.097 -9.963 1.00 0.00 C ATOM 1055 CD GLU A 69 -8.025 -0.033 -11.371 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -8.697 -1.000 -11.789 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -7.790 0.984 -12.057 1.00 0.00 O ATOM 0 H GLU A 69 -3.932 -1.785 -9.318 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.014 0.788 -8.823 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.548 -0.482 -10.828 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.188 -1.810 -9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.147 -0.670 -9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.421 0.910 -9.548 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.520 0.653 -6.864 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.298 0.616 -5.630 1.00 0.00 C ATOM 1066 C LEU A 70 -8.645 -0.064 -5.857 1.00 0.00 C ATOM 1067 O LEU A 70 -9.301 0.159 -6.875 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.512 2.033 -5.095 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.282 2.719 -4.501 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.502 4.221 -4.406 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -5.956 2.138 -3.133 1.00 0.00 C ATOM 0 H LEU A 70 -6.379 1.588 -7.245 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.739 0.038 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.892 2.653 -5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.288 1.998 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.434 2.538 -5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.616 4.692 -3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.686 4.625 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.362 4.423 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.078 2.638 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.803 2.288 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.754 1.071 -3.230 1.00 0.00 H new ATOM 1083 N TYR A 71 -9.053 -0.890 -4.900 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.322 -1.602 -4.995 1.00 0.00 C ATOM 1085 C TYR A 71 -11.462 -0.643 -5.323 1.00 0.00 C ATOM 1086 O TYR A 71 -12.309 -0.932 -6.167 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.618 -2.336 -3.686 1.00 0.00 C ATOM 1088 CG TYR A 71 -12.054 -2.792 -3.559 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.611 -3.667 -4.484 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.855 -2.347 -2.514 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.923 -4.085 -4.372 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -14.167 -2.762 -2.394 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.697 -3.630 -3.325 1.00 0.00 C ATOM 1094 OH TYR A 71 -16.003 -4.045 -3.210 1.00 0.00 O ATOM 0 H TYR A 71 -8.524 -1.083 -4.050 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.241 -2.330 -5.802 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.962 -3.203 -3.609 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.379 -1.680 -2.849 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.008 -4.026 -5.305 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.445 -1.665 -1.784 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.340 -4.764 -5.100 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.775 -2.408 -1.575 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.408 -3.634 -2.418 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.474 0.503 -4.649 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.509 1.507 -4.867 1.00 0.00 C ATOM 1106 C ASN A 72 -11.913 2.911 -4.867 1.00 0.00 C ATOM 1107 O ASN A 72 -10.742 3.099 -4.539 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.589 1.399 -3.789 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.795 2.268 -4.089 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -15.022 3.283 -3.430 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.575 1.873 -5.088 1.00 0.00 N ATOM 0 H ASN A 72 -10.779 0.759 -3.948 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.959 1.323 -5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.907 0.360 -3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.167 1.687 -2.826 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.401 2.418 -5.336 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.348 1.025 -5.607 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.729 3.894 -5.236 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.281 5.282 -5.278 1.00 0.00 C ATOM 1120 C GLU A 73 -11.932 5.783 -3.880 1.00 0.00 C ATOM 1121 O GLU A 73 -12.427 5.263 -2.880 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.363 6.171 -5.896 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.301 6.241 -7.412 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.842 7.548 -7.958 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -14.802 8.085 -7.367 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -13.305 8.033 -8.976 1.00 0.00 O ATOM 0 H GLU A 73 -13.702 3.756 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.385 5.330 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.342 5.797 -5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.269 7.178 -5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.268 6.116 -7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.870 5.412 -7.834 1.00 0.00 H new ATOM 1133 N VAL A 74 -11.074 6.797 -3.819 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.658 7.371 -2.545 1.00 0.00 C ATOM 1135 C VAL A 74 -10.332 8.853 -2.689 1.00 0.00 C ATOM 1136 O VAL A 74 -9.466 9.236 -3.476 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.428 6.639 -1.975 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.728 5.160 -1.783 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -8.224 6.833 -2.885 1.00 0.00 C ATOM 0 H VAL A 74 -10.654 7.238 -4.637 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.495 7.252 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.192 7.067 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.848 4.660 -1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.561 5.045 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.991 4.715 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.364 6.309 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.447 6.433 -3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.997 7.896 -2.966 1.00 0.00 H new ATOM 1149 N LYS A 75 -11.032 9.684 -1.924 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.817 11.126 -1.964 1.00 0.00 C ATOM 1151 C LYS A 75 -9.328 11.455 -1.926 1.00 0.00 C ATOM 1152 O LYS A 75 -8.735 11.571 -0.853 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.530 11.801 -0.791 1.00 0.00 C ATOM 1154 CG LYS A 75 -12.023 13.203 -1.104 1.00 0.00 C ATOM 1155 CD LYS A 75 -13.107 13.643 -0.135 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.562 15.067 -0.417 1.00 0.00 C ATOM 1157 NZ LYS A 75 -14.352 15.631 0.713 1.00 0.00 N ATOM 0 H LYS A 75 -11.753 9.384 -1.268 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.231 11.505 -2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.378 11.186 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.850 11.846 0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.188 13.902 -1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.410 13.235 -2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.959 12.967 -0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.733 13.575 0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.692 15.697 -0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.165 15.083 -1.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.643 16.602 0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.196 15.045 0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.769 15.640 1.574 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.729 11.606 -3.103 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.310 11.925 -3.203 1.00 0.00 C ATOM 1173 C VAL A 76 -7.030 13.344 -2.721 1.00 0.00 C ATOM 1174 O VAL A 76 -6.035 13.594 -2.042 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.802 11.777 -4.650 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.619 12.645 -5.594 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.324 12.127 -4.734 1.00 0.00 C ATOM 0 H VAL A 76 -9.205 11.513 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.781 11.217 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.923 10.738 -4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.246 12.527 -6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.665 12.341 -5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.533 13.689 -5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.982 12.017 -5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.175 13.157 -4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.754 11.458 -4.089 1.00 0.00 H new ATOM 1187 N GLU A 77 -7.916 14.269 -3.076 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.763 15.664 -2.680 1.00 0.00 C ATOM 1189 C GLU A 77 -7.631 15.787 -1.164 1.00 0.00 C ATOM 1190 O GLU A 77 -7.113 16.781 -0.656 1.00 0.00 O ATOM 1191 CB GLU A 77 -8.956 16.490 -3.167 1.00 0.00 C ATOM 1192 CG GLU A 77 -9.221 16.354 -4.657 1.00 0.00 C ATOM 1193 CD GLU A 77 -9.963 17.546 -5.229 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -11.047 17.879 -4.705 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -9.459 18.148 -6.200 1.00 0.00 O ATOM 0 H GLU A 77 -8.746 14.078 -3.637 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.853 16.048 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.847 16.185 -2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.781 17.540 -2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.273 16.235 -5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.801 15.449 -4.838 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.103 14.771 -0.450 1.00 0.00 N ATOM 1203 CA GLU A 78 -8.039 14.766 1.007 1.00 0.00 C ATOM 1204 C GLU A 78 -6.959 13.808 1.500 1.00 0.00 C ATOM 1205 O GLU A 78 -6.244 14.102 2.458 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.395 14.373 1.598 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.340 15.547 1.787 1.00 0.00 C ATOM 1208 CD GLU A 78 -9.941 16.436 2.949 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -10.013 15.968 4.104 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -9.558 17.599 2.703 1.00 0.00 O ATOM 0 H GLU A 78 -8.534 13.941 -0.856 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.785 15.773 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.867 13.639 0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.235 13.887 2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.364 16.140 0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.350 15.172 1.951 1.00 0.00 H new ATOM 1217 N SER A 79 -6.848 12.659 0.840 1.00 0.00 N ATOM 1218 CA SER A 79 -5.859 11.655 1.214 1.00 0.00 C ATOM 1219 C SER A 79 -4.500 12.300 1.469 1.00 0.00 C ATOM 1220 O SER A 79 -4.143 13.292 0.835 1.00 0.00 O ATOM 1221 CB SER A 79 -5.736 10.597 0.116 1.00 0.00 C ATOM 1222 OG SER A 79 -6.803 9.666 0.183 1.00 0.00 O ATOM 0 H SER A 79 -7.431 12.401 0.044 1.00 0.00 H new ATOM 0 HA SER A 79 -6.193 11.176 2.135 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.732 11.081 -0.861 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.785 10.073 0.216 1.00 0.00 H new ATOM 0 HG SER A 79 -7.628 10.091 -0.132 1.00 0.00 H new ATOM 1228 N SER A 80 -3.747 11.728 2.403 1.00 0.00 N ATOM 1229 CA SER A 80 -2.429 12.248 2.747 1.00 0.00 C ATOM 1230 C SER A 80 -1.622 11.213 3.525 1.00 0.00 C ATOM 1231 O SER A 80 -2.182 10.393 4.253 1.00 0.00 O ATOM 1232 CB SER A 80 -2.562 13.531 3.569 1.00 0.00 C ATOM 1233 OG SER A 80 -3.351 13.316 4.726 1.00 0.00 O ATOM 0 H SER A 80 -4.027 10.904 2.935 1.00 0.00 H new ATOM 0 HA SER A 80 -1.901 12.472 1.820 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.573 13.884 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.013 14.313 2.958 1.00 0.00 H new ATOM 0 HG SER A 80 -3.419 14.151 5.235 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.305 11.258 3.365 1.00 0.00 N ATOM 1240 CA TRP A 81 0.580 10.324 4.053 1.00 0.00 C ATOM 1241 C TRP A 81 1.540 11.064 4.977 1.00 0.00 C ATOM 1242 O TRP A 81 1.564 12.295 5.008 1.00 0.00 O ATOM 1243 CB TRP A 81 1.368 9.495 3.037 1.00 0.00 C ATOM 1244 CG TRP A 81 2.221 10.325 2.127 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.806 11.035 1.036 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.635 10.529 2.226 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.877 11.668 0.452 1.00 0.00 N ATOM 1248 CE2 TRP A 81 4.010 11.375 1.164 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.620 10.082 3.111 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.327 11.779 0.964 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.927 10.484 2.911 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.271 11.326 1.845 1.00 0.00 C ATOM 0 H TRP A 81 0.174 11.930 2.766 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.035 9.657 4.658 1.00 0.00 H new ATOM 0 HB2 TRP A 81 2.001 8.786 3.570 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.671 8.911 2.437 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.786 11.091 0.684 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.835 12.260 -0.377 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.364 9.434 3.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.594 12.427 0.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.697 10.143 3.588 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.301 11.623 1.716 1.00 0.00 H new ATOM 1263 N LEU A 82 2.331 10.307 5.730 1.00 0.00 N ATOM 1264 CA LEU A 82 3.294 10.893 6.657 1.00 0.00 C ATOM 1265 C LEU A 82 4.335 9.862 7.083 1.00 0.00 C ATOM 1266 O LEU A 82 4.056 8.664 7.124 1.00 0.00 O ATOM 1267 CB LEU A 82 2.576 11.448 7.888 1.00 0.00 C ATOM 1268 CG LEU A 82 2.262 10.439 8.993 1.00 0.00 C ATOM 1269 CD1 LEU A 82 3.411 10.359 9.985 1.00 0.00 C ATOM 1270 CD2 LEU A 82 0.968 10.810 9.702 1.00 0.00 C ATOM 0 H LEU A 82 2.325 9.287 5.717 1.00 0.00 H new ATOM 0 HA LEU A 82 3.804 11.708 6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.188 12.243 8.313 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.641 11.904 7.564 1.00 0.00 H new ATOM 0 HG LEU A 82 2.134 9.457 8.536 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.169 9.636 10.764 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.317 10.045 9.467 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.571 11.338 10.436 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.760 10.081 10.485 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.067 11.801 10.146 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.148 10.815 8.984 1.00 0.00 H new ATOM 1282 N ILE A 83 5.535 10.337 7.401 1.00 0.00 N ATOM 1283 CA ILE A 83 6.616 9.458 7.827 1.00 0.00 C ATOM 1284 C ILE A 83 6.536 9.173 9.323 1.00 0.00 C ATOM 1285 O ILE A 83 6.432 10.093 10.134 1.00 0.00 O ATOM 1286 CB ILE A 83 7.995 10.063 7.504 1.00 0.00 C ATOM 1287 CG1 ILE A 83 8.171 10.208 5.991 1.00 0.00 C ATOM 1288 CG2 ILE A 83 9.102 9.200 8.091 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.336 11.088 5.600 1.00 0.00 C ATOM 0 H ILE A 83 5.782 11.326 7.371 1.00 0.00 H new ATOM 0 HA ILE A 83 6.500 8.525 7.275 1.00 0.00 H new ATOM 0 HB ILE A 83 8.055 11.054 7.954 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.310 9.219 5.553 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.256 10.620 5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.071 9.640 7.854 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.984 9.143 9.173 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.046 8.198 7.667 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.400 11.145 4.513 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.190 12.088 6.008 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.260 10.666 5.996 1.00 0.00 H new ATOM 1301 N GLU A 84 6.586 7.894 9.680 1.00 0.00 N ATOM 1302 CA GLU A 84 6.520 7.489 11.080 1.00 0.00 C ATOM 1303 C GLU A 84 7.893 7.054 11.586 1.00 0.00 C ATOM 1304 O GLU A 84 8.507 6.139 11.037 1.00 0.00 O ATOM 1305 CB GLU A 84 5.515 6.349 11.257 1.00 0.00 C ATOM 1306 CG GLU A 84 4.094 6.825 11.506 1.00 0.00 C ATOM 1307 CD GLU A 84 3.891 7.345 12.916 1.00 0.00 C ATOM 1308 OE1 GLU A 84 4.635 8.262 13.323 1.00 0.00 O ATOM 1309 OE2 GLU A 84 2.989 6.835 13.613 1.00 0.00 O ATOM 0 H GLU A 84 6.672 7.121 9.020 1.00 0.00 H new ATOM 0 HA GLU A 84 6.191 8.348 11.665 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.528 5.722 10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.831 5.723 12.091 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.849 7.613 10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.402 6.003 11.323 1.00 0.00 H new ATOM 1316 N ASP A 85 8.368 7.717 12.634 1.00 0.00 N ATOM 1317 CA ASP A 85 9.667 7.400 13.215 1.00 0.00 C ATOM 1318 C ASP A 85 10.728 7.259 12.128 1.00 0.00 C ATOM 1319 O ASP A 85 11.633 6.432 12.234 1.00 0.00 O ATOM 1320 CB ASP A 85 9.582 6.111 14.034 1.00 0.00 C ATOM 1321 CG ASP A 85 8.930 6.325 15.385 1.00 0.00 C ATOM 1322 OD1 ASP A 85 9.495 7.081 16.204 1.00 0.00 O ATOM 1323 OD2 ASP A 85 7.854 5.739 15.624 1.00 0.00 O ATOM 0 H ASP A 85 7.873 8.478 13.099 1.00 0.00 H new ATOM 0 HA ASP A 85 9.954 8.220 13.873 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.016 5.366 13.475 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.585 5.709 14.178 1.00 0.00 H new ATOM 1328 N GLY A 86 10.610 8.071 11.083 1.00 0.00 N ATOM 1329 CA GLY A 86 11.565 8.020 9.991 1.00 0.00 C ATOM 1330 C GLY A 86 11.973 6.602 9.645 1.00 0.00 C ATOM 1331 O GLY A 86 13.109 6.356 9.238 1.00 0.00 O ATOM 0 H GLY A 86 9.870 8.764 10.972 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.132 8.495 9.111 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.451 8.595 10.260 1.00 0.00 H new ATOM 1335 N LYS A 87 11.046 5.664 9.808 1.00 0.00 N ATOM 1336 CA LYS A 87 11.314 4.262 9.510 1.00 0.00 C ATOM 1337 C LYS A 87 10.171 3.647 8.710 1.00 0.00 C ATOM 1338 O LYS A 87 10.384 2.757 7.887 1.00 0.00 O ATOM 1339 CB LYS A 87 11.525 3.476 10.806 1.00 0.00 C ATOM 1340 CG LYS A 87 10.411 3.665 11.821 1.00 0.00 C ATOM 1341 CD LYS A 87 10.730 2.973 13.135 1.00 0.00 C ATOM 1342 CE LYS A 87 10.468 1.477 13.056 1.00 0.00 C ATOM 1343 NZ LYS A 87 10.634 0.814 14.379 1.00 0.00 N ATOM 0 H LYS A 87 10.101 5.850 10.145 1.00 0.00 H new ATOM 0 HA LYS A 87 12.222 4.211 8.909 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.612 2.416 10.568 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.470 3.780 11.256 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.255 4.729 11.998 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.479 3.269 11.417 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.774 3.147 13.395 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.126 3.407 13.932 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.457 1.304 12.688 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.151 1.026 12.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.447 -0.204 14.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.606 0.957 14.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.965 1.226 15.060 1.00 0.00 H new ATOM 1357 N VAL A 88 8.956 4.127 8.957 1.00 0.00 N ATOM 1358 CA VAL A 88 7.779 3.627 8.258 1.00 0.00 C ATOM 1359 C VAL A 88 7.066 4.747 7.509 1.00 0.00 C ATOM 1360 O VAL A 88 7.177 5.919 7.871 1.00 0.00 O ATOM 1361 CB VAL A 88 6.787 2.963 9.232 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.635 2.327 8.470 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.499 1.934 10.097 1.00 0.00 C ATOM 0 H VAL A 88 8.762 4.862 9.637 1.00 0.00 H new ATOM 0 HA VAL A 88 8.129 2.882 7.543 1.00 0.00 H new ATOM 0 HB VAL A 88 6.376 3.732 9.886 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.945 1.863 9.175 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.110 3.093 7.899 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.023 1.569 7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.784 1.475 10.779 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.939 1.166 9.461 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.286 2.423 10.672 1.00 0.00 H new ATOM 1373 N VAL A 89 6.334 4.380 6.462 1.00 0.00 N ATOM 1374 CA VAL A 89 5.601 5.354 5.662 1.00 0.00 C ATOM 1375 C VAL A 89 4.106 5.057 5.669 1.00 0.00 C ATOM 1376 O VAL A 89 3.632 4.178 4.948 1.00 0.00 O ATOM 1377 CB VAL A 89 6.102 5.375 4.206 1.00 0.00 C ATOM 1378 CG1 VAL A 89 5.208 6.255 3.346 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.547 5.849 4.147 1.00 0.00 C ATOM 0 H VAL A 89 6.233 3.415 6.148 1.00 0.00 H new ATOM 0 HA VAL A 89 5.777 6.331 6.113 1.00 0.00 H new ATOM 0 HB VAL A 89 6.060 4.360 3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.578 6.257 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.190 5.867 3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.215 7.273 3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.885 5.858 3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.617 6.855 4.560 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.175 5.174 4.728 1.00 0.00 H new ATOM 1389 N THR A 90 3.365 5.796 6.490 1.00 0.00 N ATOM 1390 CA THR A 90 1.923 5.612 6.592 1.00 0.00 C ATOM 1391 C THR A 90 1.184 6.489 5.587 1.00 0.00 C ATOM 1392 O THR A 90 1.545 7.647 5.376 1.00 0.00 O ATOM 1393 CB THR A 90 1.414 5.935 8.010 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.852 7.240 8.402 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.914 4.905 9.011 1.00 0.00 C ATOM 0 H THR A 90 3.741 6.527 7.094 1.00 0.00 H new ATOM 0 HA THR A 90 1.722 4.564 6.372 1.00 0.00 H new ATOM 0 HB THR A 90 0.324 5.907 7.997 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.523 7.438 9.304 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.542 5.153 10.005 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.555 3.916 8.726 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.004 4.906 9.021 1.00 0.00 H new ATOM 1403 N VAL A 91 0.148 5.930 4.971 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.643 6.663 3.989 1.00 0.00 C ATOM 1405 C VAL A 91 -2.134 6.552 4.291 1.00 0.00 C ATOM 1406 O VAL A 91 -2.698 5.457 4.290 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.380 6.150 2.561 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.151 6.980 1.545 1.00 0.00 C ATOM 1409 CG2 VAL A 91 1.110 6.166 2.255 1.00 0.00 C ATOM 0 H VAL A 91 -0.163 4.973 5.134 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.339 7.708 4.053 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.730 5.120 2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.953 6.603 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.219 6.911 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.835 8.021 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.277 5.800 1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.488 7.185 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.634 5.524 2.963 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.766 7.692 4.549 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.193 7.723 4.851 1.00 0.00 C ATOM 1421 C HIS A 92 -5.018 7.818 3.572 1.00 0.00 C ATOM 1422 O HIS A 92 -4.751 8.655 2.708 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.515 8.904 5.768 1.00 0.00 C ATOM 1424 CG HIS A 92 -5.916 9.413 5.618 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -7.006 8.584 5.467 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.400 10.677 5.599 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -8.101 9.315 5.359 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -7.761 10.589 5.436 1.00 0.00 N ATOM 0 H HIS A 92 -2.313 8.606 4.555 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.452 6.795 5.360 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.355 8.604 6.804 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.818 9.716 5.560 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -5.824 11.585 5.694 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.104 8.935 5.230 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.404 11.379 5.383 1.00 0.00 H new ATOM 1437 N LEU A 93 -6.020 6.954 3.455 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.885 6.939 2.280 1.00 0.00 C ATOM 1439 C LEU A 93 -8.332 7.226 2.665 1.00 0.00 C ATOM 1440 O LEU A 93 -8.935 6.487 3.443 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.792 5.587 1.571 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.474 5.295 0.851 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.346 3.810 0.554 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.376 6.109 -0.431 1.00 0.00 C ATOM 0 H LEU A 93 -6.254 6.254 4.159 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.547 7.722 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.963 4.801 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.602 5.524 0.844 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.652 5.585 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.403 3.621 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.370 3.249 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.173 3.493 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.432 5.889 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.204 5.850 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.421 7.171 -0.192 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.884 8.302 2.113 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.262 8.684 2.398 1.00 0.00 C ATOM 1458 C GLU A 94 -11.236 7.914 1.510 1.00 0.00 C ATOM 1459 O GLU A 94 -11.141 7.956 0.283 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.450 10.189 2.195 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.902 10.635 2.251 1.00 0.00 C ATOM 1462 CD GLU A 94 -12.648 10.044 3.431 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -12.346 10.432 4.579 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -13.535 9.193 3.206 1.00 0.00 O ATOM 0 H GLU A 94 -8.399 8.924 1.467 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.473 8.436 3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.885 10.723 2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.029 10.472 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.942 11.723 2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.403 10.346 1.327 1.00 0.00 H new ATOM 1471 N LYS A 95 -12.171 7.211 2.139 1.00 0.00 N ATOM 1472 CA LYS A 95 -13.163 6.431 1.408 1.00 0.00 C ATOM 1473 C LYS A 95 -14.304 7.320 0.923 1.00 0.00 C ATOM 1474 O LYS A 95 -15.123 7.784 1.717 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.716 5.312 2.294 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.778 4.126 2.432 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.471 2.938 3.077 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.470 1.987 3.714 1.00 0.00 C ATOM 1479 NZ LYS A 95 -13.142 0.821 4.352 1.00 0.00 N ATOM 0 H LYS A 95 -12.263 7.165 3.154 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.674 5.990 0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.927 5.715 3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.664 4.968 1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.404 3.840 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.913 4.413 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.171 3.291 3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.055 2.405 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.771 1.633 2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.885 2.523 4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.693 0.620 5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.148 1.039 4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.055 -0.011 3.734 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.352 7.553 -0.384 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.394 8.384 -0.974 1.00 0.00 C ATOM 1495 C ILE A 96 -16.721 8.202 -0.245 1.00 0.00 C ATOM 1496 O ILE A 96 -17.451 9.165 -0.015 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.594 8.061 -2.467 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.342 8.434 -3.264 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.811 8.795 -3.009 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -13.997 9.905 -3.193 1.00 0.00 C ATOM 0 H ILE A 96 -13.681 7.178 -1.055 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.066 9.419 -0.875 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.763 6.989 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.498 7.853 -2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.488 8.153 -4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -16.939 8.557 -4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.698 8.485 -2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.669 9.870 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.099 10.097 -3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.824 10.492 -3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.819 10.187 -2.155 1.00 0.00 H new ATOM 1512 N ASN A 97 -17.025 6.960 0.118 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.264 6.652 0.823 1.00 0.00 C ATOM 1514 C ASN A 97 -17.974 6.014 2.178 1.00 0.00 C ATOM 1515 O ASN A 97 -17.348 4.956 2.258 1.00 0.00 O ATOM 1516 CB ASN A 97 -19.135 5.717 -0.018 1.00 0.00 C ATOM 1517 CG ASN A 97 -19.766 6.424 -1.201 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -20.970 6.684 -1.214 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -18.955 6.738 -2.205 1.00 0.00 N ATOM 0 H ASN A 97 -16.431 6.151 -0.064 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.801 7.586 0.988 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.529 4.885 -0.376 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -19.919 5.293 0.609 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.324 7.214 -3.029 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.964 6.504 -2.152 1.00 0.00 H new ATOM 1526 N LYS A 98 -18.434 6.663 3.243 1.00 0.00 N ATOM 1527 CA LYS A 98 -18.226 6.159 4.595 1.00 0.00 C ATOM 1528 C LYS A 98 -19.069 4.913 4.847 1.00 0.00 C ATOM 1529 O LYS A 98 -18.757 4.108 5.723 1.00 0.00 O ATOM 1530 CB LYS A 98 -18.574 7.239 5.622 1.00 0.00 C ATOM 1531 CG LYS A 98 -17.891 8.570 5.361 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.408 8.509 5.688 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.646 9.654 5.039 1.00 0.00 C ATOM 1534 NZ LYS A 98 -16.010 10.970 5.635 1.00 0.00 N ATOM 0 H LYS A 98 -18.953 7.540 3.195 1.00 0.00 H new ATOM 0 HA LYS A 98 -17.174 5.892 4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.654 7.389 5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.297 6.887 6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -18.023 8.849 4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.365 9.347 5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.271 8.546 6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.998 7.558 5.347 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.575 9.488 5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.855 9.669 3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -15.470 11.725 5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.028 11.140 5.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.787 10.965 6.651 1.00 0.00 H new ATOM 1548 N MET A 99 -20.138 4.760 4.071 1.00 0.00 N ATOM 1549 CA MET A 99 -21.023 3.610 4.209 1.00 0.00 C ATOM 1550 C MET A 99 -20.609 2.488 3.262 1.00 0.00 C ATOM 1551 O MET A 99 -21.450 1.733 2.775 1.00 0.00 O ATOM 1552 CB MET A 99 -22.471 4.018 3.932 1.00 0.00 C ATOM 1553 CG MET A 99 -23.072 4.900 5.015 1.00 0.00 C ATOM 1554 SD MET A 99 -23.122 4.088 6.624 1.00 0.00 S ATOM 1555 CE MET A 99 -21.561 4.623 7.321 1.00 0.00 C ATOM 0 H MET A 99 -20.411 5.418 3.341 1.00 0.00 H new ATOM 0 HA MET A 99 -20.945 3.244 5.233 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.515 4.546 2.979 1.00 0.00 H new ATOM 0 HB3 MET A 99 -23.079 3.120 3.827 1.00 0.00 H new ATOM 0 HG2 MET A 99 -22.491 5.819 5.094 1.00 0.00 H new ATOM 0 HG3 MET A 99 -24.083 5.186 4.725 1.00 0.00 H new ATOM 0 HE1 MET A 99 -20.872 3.779 7.361 1.00 0.00 H new ATOM 0 HE2 MET A 99 -21.135 5.410 6.698 1.00 0.00 H new ATOM 0 HE3 MET A 99 -21.725 5.006 8.328 1.00 0.00 H new ATOM 1565 N GLU A 100 -19.308 2.385 3.007 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.784 1.356 2.117 1.00 0.00 C ATOM 1567 C GLU A 100 -17.568 0.671 2.734 1.00 0.00 C ATOM 1568 O GLU A 100 -16.777 1.302 3.436 1.00 0.00 O ATOM 1569 CB GLU A 100 -18.409 1.963 0.763 1.00 0.00 C ATOM 1570 CG GLU A 100 -17.938 0.937 -0.254 1.00 0.00 C ATOM 1571 CD GLU A 100 -19.078 0.362 -1.072 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -19.966 -0.285 -0.479 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -19.082 0.558 -2.306 1.00 0.00 O ATOM 0 H GLU A 100 -18.599 3.001 3.404 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.564 0.609 1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -19.272 2.492 0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.622 2.703 0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -17.213 1.400 -0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.423 0.128 0.263 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.426 -0.622 2.467 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.307 -1.393 2.996 1.00 0.00 C ATOM 1582 C TRP A 101 -15.307 -1.727 1.895 1.00 0.00 C ATOM 1583 O TRP A 101 -15.564 -1.485 0.716 1.00 0.00 O ATOM 1584 CB TRP A 101 -16.812 -2.680 3.651 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.216 -2.498 5.083 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.489 -2.411 5.570 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.343 -2.380 6.212 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.460 -2.246 6.934 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -17.156 -2.225 7.352 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -14.955 -2.393 6.370 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.623 -2.082 8.631 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.428 -2.251 7.640 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.261 -2.098 8.757 1.00 0.00 C ATOM 0 H TRP A 101 -18.072 -1.159 1.887 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.802 -0.785 3.747 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.664 -3.057 3.086 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -16.031 -3.439 3.595 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.386 -2.464 4.971 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.277 -2.154 7.537 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.305 -2.512 5.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.263 -1.963 9.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.356 -2.258 7.774 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -14.819 -1.991 9.736 1.00 0.00 H new ATOM 1604 N TRP A 102 -14.167 -2.285 2.286 1.00 0.00 N ATOM 1605 CA TRP A 102 -13.128 -2.652 1.331 1.00 0.00 C ATOM 1606 C TRP A 102 -12.732 -4.115 1.493 1.00 0.00 C ATOM 1607 O TRP A 102 -12.649 -4.625 2.610 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.902 -1.756 1.509 1.00 0.00 C ATOM 1609 CG TRP A 102 -12.025 -0.436 0.810 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -13.122 0.377 0.779 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -11.014 0.223 0.040 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -12.854 1.501 0.036 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.567 1.431 -0.428 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.694 -0.088 -0.299 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -10.846 2.324 -1.216 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -8.980 0.799 -1.082 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.557 1.994 -1.533 1.00 0.00 C ATOM 0 H TRP A 102 -13.939 -2.493 3.258 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.528 -2.512 0.327 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.739 -1.582 2.573 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -11.022 -2.278 1.133 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -14.062 0.167 1.267 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.507 2.264 -0.141 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.240 -1.006 0.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.289 3.245 -1.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.960 0.567 -1.351 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -8.973 2.667 -2.143 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.487 -4.786 0.372 1.00 0.00 N ATOM 1629 CA ASN A 103 -12.099 -6.192 0.392 1.00 0.00 C ATOM 1630 C ASN A 103 -10.580 -6.337 0.373 1.00 0.00 C ATOM 1631 O ASN A 103 -10.045 -7.404 0.675 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.708 -6.927 -0.803 1.00 0.00 C ATOM 1633 CG ASN A 103 -12.986 -8.387 -0.503 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -14.140 -8.800 -0.388 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -11.927 -9.177 -0.375 1.00 0.00 N ATOM 0 H ASN A 103 -12.550 -4.379 -0.561 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.477 -6.635 1.313 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -13.636 -6.435 -1.094 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -12.030 -6.856 -1.654 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.052 -10.169 -0.173 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.988 -8.792 -0.478 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.892 -5.257 0.017 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.435 -5.265 -0.042 1.00 0.00 C ATOM 1644 C ARG A 104 -7.897 -3.872 -0.358 1.00 0.00 C ATOM 1645 O ARG A 104 -8.645 -2.984 -0.770 1.00 0.00 O ATOM 1646 CB ARG A 104 -7.952 -6.262 -1.097 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.600 -6.070 -2.459 1.00 0.00 C ATOM 1648 CD ARG A 104 -7.811 -6.771 -3.554 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.657 -7.138 -4.687 1.00 0.00 N ATOM 1650 CZ ARG A 104 -9.230 -6.251 -5.494 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -9.049 -4.953 -5.293 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -9.985 -6.663 -6.504 1.00 0.00 N ATOM 0 H ARG A 104 -10.320 -4.366 -0.235 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.058 -5.569 0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.871 -6.171 -1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.154 -7.274 -0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.618 -6.458 -2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.670 -5.006 -2.683 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.008 -6.118 -3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.342 -7.666 -3.147 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.817 -8.129 -4.869 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.469 -4.633 -4.518 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.490 -4.274 -5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.126 -7.661 -6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.425 -5.982 -7.123 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.596 -3.688 -0.163 1.00 0.00 N ATOM 1667 CA LEU A 105 -5.957 -2.404 -0.426 1.00 0.00 C ATOM 1668 C LEU A 105 -5.858 -2.142 -1.925 1.00 0.00 C ATOM 1669 O LEU A 105 -6.256 -1.082 -2.409 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.563 -2.367 0.203 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.760 -1.085 -0.019 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -4.504 0.116 0.545 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -2.380 -1.204 0.610 1.00 0.00 C ATOM 0 H LEU A 105 -5.963 -4.412 0.176 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.571 -1.622 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.666 -2.526 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.987 -3.205 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.636 -0.938 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.917 1.019 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.469 0.213 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.660 -0.022 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.823 -0.282 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.482 -1.376 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.845 -2.039 0.158 1.00 0.00 H new ATOM 1685 N VAL A 106 -5.327 -3.116 -2.657 1.00 0.00 N ATOM 1686 CA VAL A 106 -5.178 -2.993 -4.102 1.00 0.00 C ATOM 1687 C VAL A 106 -5.247 -4.357 -4.780 1.00 0.00 C ATOM 1688 O VAL A 106 -4.783 -5.359 -4.234 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.847 -2.314 -4.474 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.896 -0.829 -4.151 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.687 -2.987 -3.754 1.00 0.00 C ATOM 0 H VAL A 106 -4.993 -4.000 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.003 -2.374 -4.453 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.691 -2.422 -5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.947 -0.366 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.702 -0.360 -4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -4.075 -0.694 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.754 -2.495 -4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.834 -2.911 -2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.641 -4.038 -4.041 1.00 0.00 H new ATOM 1701 N THR A 107 -5.830 -4.389 -5.975 1.00 0.00 N ATOM 1702 CA THR A 107 -5.961 -5.630 -6.728 1.00 0.00 C ATOM 1703 C THR A 107 -4.774 -6.553 -6.477 1.00 0.00 C ATOM 1704 O THR A 107 -4.934 -7.768 -6.359 1.00 0.00 O ATOM 1705 CB THR A 107 -6.077 -5.360 -8.240 1.00 0.00 C ATOM 1706 OG1 THR A 107 -4.882 -4.732 -8.718 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.277 -4.475 -8.541 1.00 0.00 C ATOM 0 H THR A 107 -6.219 -3.569 -6.442 1.00 0.00 H new ATOM 0 HA THR A 107 -6.874 -6.115 -6.382 1.00 0.00 H new ATOM 0 HB THR A 107 -6.214 -6.315 -8.748 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.963 -4.565 -9.680 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.338 -4.298 -9.615 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.188 -4.969 -8.202 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.166 -3.523 -8.022 1.00 0.00 H new ATOM 1715 N SER A 108 -3.583 -5.969 -6.397 1.00 0.00 N ATOM 1716 CA SER A 108 -2.367 -6.740 -6.163 1.00 0.00 C ATOM 1717 C SER A 108 -2.433 -7.466 -4.823 1.00 0.00 C ATOM 1718 O SER A 108 -2.201 -8.672 -4.745 1.00 0.00 O ATOM 1719 CB SER A 108 -1.142 -5.825 -6.201 1.00 0.00 C ATOM 1720 OG SER A 108 0.056 -6.579 -6.259 1.00 0.00 O ATOM 0 H SER A 108 -3.434 -4.964 -6.491 1.00 0.00 H new ATOM 0 HA SER A 108 -2.280 -7.484 -6.955 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.203 -5.166 -7.067 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.132 -5.188 -5.316 1.00 0.00 H new ATOM 0 HG SER A 108 0.824 -5.971 -6.284 1.00 0.00 H new ATOM 1726 N ASP A 109 -2.752 -6.721 -3.770 1.00 0.00 N ATOM 1727 CA ASP A 109 -2.850 -7.292 -2.431 1.00 0.00 C ATOM 1728 C ASP A 109 -3.921 -8.377 -2.381 1.00 0.00 C ATOM 1729 O ASP A 109 -4.801 -8.455 -3.238 1.00 0.00 O ATOM 1730 CB ASP A 109 -3.166 -6.199 -1.409 1.00 0.00 C ATOM 1731 CG ASP A 109 -1.914 -5.558 -0.842 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -0.841 -5.701 -1.464 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -2.008 -4.915 0.225 1.00 0.00 O ATOM 0 H ASP A 109 -2.947 -5.721 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 109 -1.889 -7.743 -2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.782 -5.433 -1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.753 -6.625 -0.595 1.00 0.00 H new ATOM 1738 N PRO A 110 -3.845 -9.236 -1.353 1.00 0.00 N ATOM 1739 CA PRO A 110 -4.800 -10.333 -1.167 1.00 0.00 C ATOM 1740 C PRO A 110 -6.186 -9.835 -0.775 1.00 0.00 C ATOM 1741 O PRO A 110 -6.328 -8.755 -0.201 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.183 -11.150 -0.028 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.345 -10.176 0.726 1.00 0.00 C ATOM 1744 CD PRO A 110 -2.822 -9.203 -0.295 1.00 0.00 C ATOM 0 HA PRO A 110 -4.952 -10.901 -2.085 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.953 -11.586 0.609 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.583 -11.975 -0.412 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.932 -9.664 1.488 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.527 -10.681 1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.709 -8.203 0.124 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.844 -9.503 -0.672 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.206 -10.628 -1.088 1.00 0.00 N ATOM 1753 CA GLU A 111 -8.581 -10.265 -0.768 1.00 0.00 C ATOM 1754 C GLU A 111 -9.018 -10.898 0.550 1.00 0.00 C ATOM 1755 O GLU A 111 -8.615 -12.014 0.879 1.00 0.00 O ATOM 1756 CB GLU A 111 -9.522 -10.702 -1.893 1.00 0.00 C ATOM 1757 CG GLU A 111 -9.133 -10.160 -3.257 1.00 0.00 C ATOM 1758 CD GLU A 111 -8.208 -11.093 -4.014 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -6.979 -11.009 -3.803 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -8.711 -11.906 -4.817 1.00 0.00 O ATOM 0 H GLU A 111 -7.106 -11.525 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.629 -9.181 -0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.542 -11.791 -1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.534 -10.374 -1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.034 -9.990 -3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.646 -9.193 -3.134 1.00 0.00 H new ATOM 1767 N ILE A 112 -9.844 -10.176 1.301 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.336 -10.667 2.582 1.00 0.00 C ATOM 1769 C ILE A 112 -11.858 -10.761 2.587 1.00 0.00 C ATOM 1770 O ILE A 112 -12.549 -9.833 2.170 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.886 -9.760 3.743 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -10.094 -8.288 3.378 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.428 -10.025 4.087 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -10.015 -7.355 4.566 1.00 0.00 C ATOM 0 H ILE A 112 -10.186 -9.250 1.044 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.912 -11.661 2.722 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.493 -9.987 4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -9.343 -7.994 2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -11.067 -8.174 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.124 -9.377 4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.308 -11.067 4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.806 -9.821 3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -10.172 -6.329 4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.784 -7.623 5.291 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -9.033 -7.440 5.031 1.00 0.00 H new