USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 687 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 27 ASN :FLIP amide:sc= -0.0244 F(o=-0.67,f=-0.024) USER MOD Set 1.2: A 48 TYR OH : rot 150:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.254 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 67:sc= 0.978 USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0484) USER MOD Single : A 40 MET CE :methyl 146:sc= -2.04 (180deg=-4.09!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -3.02! C(o=-3!,f=-3.4!) USER MOD Single : A 57 CYS SG : rot -75:sc= -0.21 USER MOD Single : A 63 MET CE :methyl -142:sc= -1.33 (180deg=-4.25!) USER MOD Single : A 68 SER OG : rot -174:sc= -1.16 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.101 USER MOD Single : A 79 SER OG : rot -160:sc= -0.189 USER MOD Single : A 80 MET CE :methyl -133:sc= -3.34 (180deg=-4.16!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 14 6.271 18.619 -12.012 1.00 0.00 N ATOM 163 CA SER A 14 5.953 19.321 -10.780 1.00 0.00 C ATOM 164 C SER A 14 4.843 18.584 -10.029 1.00 0.00 C ATOM 165 O SER A 14 5.117 17.677 -9.243 1.00 0.00 O ATOM 166 CB SER A 14 5.533 20.765 -11.063 1.00 0.00 C ATOM 167 OG SER A 14 4.864 21.354 -9.951 1.00 0.00 O ATOM 0 HA SER A 14 6.849 19.345 -10.159 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.414 21.357 -11.311 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.878 20.788 -11.934 1.00 0.00 H new ATOM 0 HG SER A 14 4.614 22.276 -10.171 1.00 0.00 H new ATOM 173 N LYS A 15 3.614 18.999 -10.296 1.00 0.00 N ATOM 174 CA LYS A 15 2.461 18.389 -9.654 1.00 0.00 C ATOM 175 C LYS A 15 2.426 16.897 -9.991 1.00 0.00 C ATOM 176 O LYS A 15 2.169 16.067 -9.121 1.00 0.00 O ATOM 177 CB LYS A 15 1.180 19.135 -10.033 1.00 0.00 C ATOM 178 CG LYS A 15 -0.049 18.456 -9.426 1.00 0.00 C ATOM 179 CD LYS A 15 -0.695 17.496 -10.427 1.00 0.00 C ATOM 180 CE LYS A 15 -1.958 16.861 -9.842 1.00 0.00 C ATOM 181 NZ LYS A 15 -3.098 17.801 -9.930 1.00 0.00 N ATOM 0 H LYS A 15 3.391 19.751 -10.948 1.00 0.00 H new ATOM 0 HA LYS A 15 2.541 18.470 -8.570 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.239 20.166 -9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.082 19.169 -11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.239 17.910 -8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.773 19.212 -9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.944 18.033 -11.342 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.016 16.716 -10.699 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.193 15.943 -10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.785 16.585 -8.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.948 17.355 -9.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.877 18.666 -9.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.272 18.043 -10.926 1.00 0.00 H new ATOM 195 N VAL A 16 2.689 16.602 -11.256 1.00 0.00 N ATOM 196 CA VAL A 16 2.691 15.225 -11.718 1.00 0.00 C ATOM 197 C VAL A 16 3.753 14.435 -10.951 1.00 0.00 C ATOM 198 O VAL A 16 3.459 13.390 -10.374 1.00 0.00 O ATOM 199 CB VAL A 16 2.892 15.182 -13.234 1.00 0.00 C ATOM 200 CG1 VAL A 16 2.710 13.761 -13.771 1.00 0.00 C ATOM 201 CG2 VAL A 16 1.951 16.160 -13.940 1.00 0.00 C ATOM 0 H VAL A 16 2.902 17.293 -11.975 1.00 0.00 H new ATOM 0 HA VAL A 16 1.729 14.754 -11.518 1.00 0.00 H new ATOM 0 HB VAL A 16 3.916 15.491 -13.445 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.858 13.758 -14.851 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.439 13.099 -13.303 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.703 13.412 -13.542 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.115 16.109 -15.016 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.917 15.895 -13.717 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.150 17.173 -13.590 1.00 0.00 H new ATOM 211 N GLU A 17 4.967 14.966 -10.970 1.00 0.00 N ATOM 212 CA GLU A 17 6.075 14.324 -10.283 1.00 0.00 C ATOM 213 C GLU A 17 5.661 13.923 -8.866 1.00 0.00 C ATOM 214 O GLU A 17 5.963 12.818 -8.416 1.00 0.00 O ATOM 215 CB GLU A 17 7.305 15.233 -10.258 1.00 0.00 C ATOM 216 CG GLU A 17 8.456 14.622 -11.060 1.00 0.00 C ATOM 217 CD GLU A 17 9.550 14.090 -10.132 1.00 0.00 C ATOM 218 OE1 GLU A 17 10.277 14.937 -9.570 1.00 0.00 O ATOM 219 OE2 GLU A 17 9.634 12.849 -10.007 1.00 0.00 O ATOM 0 H GLU A 17 5.208 15.833 -11.450 1.00 0.00 H new ATOM 0 HA GLU A 17 6.342 13.421 -10.831 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.048 16.209 -10.670 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.621 15.395 -9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.079 13.812 -11.685 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.876 15.373 -11.730 1.00 0.00 H new ATOM 226 N LYS A 18 4.975 14.841 -8.202 1.00 0.00 N ATOM 227 CA LYS A 18 4.516 14.597 -6.845 1.00 0.00 C ATOM 228 C LYS A 18 3.541 13.417 -6.845 1.00 0.00 C ATOM 229 O LYS A 18 3.471 12.665 -5.875 1.00 0.00 O ATOM 230 CB LYS A 18 3.933 15.875 -6.238 1.00 0.00 C ATOM 231 CG LYS A 18 4.926 16.525 -5.272 1.00 0.00 C ATOM 232 CD LYS A 18 5.025 15.728 -3.970 1.00 0.00 C ATOM 233 CE LYS A 18 4.126 16.330 -2.888 1.00 0.00 C ATOM 234 NZ LYS A 18 4.889 17.281 -2.050 1.00 0.00 N ATOM 0 H LYS A 18 4.726 15.756 -8.578 1.00 0.00 H new ATOM 0 HA LYS A 18 5.353 14.320 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.680 16.577 -7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.007 15.643 -5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.908 16.586 -5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.612 17.546 -5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.738 14.692 -4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.059 15.717 -3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.282 16.841 -3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.715 15.536 -2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.264 17.680 -1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.680 16.784 -1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.260 18.048 -2.646 1.00 0.00 H new ATOM 248 N ALA A 19 2.814 13.292 -7.946 1.00 0.00 N ATOM 249 CA ALA A 19 1.847 12.217 -8.085 1.00 0.00 C ATOM 250 C ALA A 19 2.585 10.905 -8.359 1.00 0.00 C ATOM 251 O ALA A 19 2.492 9.961 -7.576 1.00 0.00 O ATOM 252 CB ALA A 19 0.850 12.567 -9.192 1.00 0.00 C ATOM 0 H ALA A 19 2.875 13.917 -8.750 1.00 0.00 H new ATOM 0 HA ALA A 19 1.280 12.090 -7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.124 11.760 -9.296 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.331 13.491 -8.936 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.383 12.699 -10.133 1.00 0.00 H new ATOM 258 N ARG A 20 3.302 10.889 -9.473 1.00 0.00 N ATOM 259 CA ARG A 20 4.056 9.708 -9.860 1.00 0.00 C ATOM 260 C ARG A 20 4.732 9.086 -8.637 1.00 0.00 C ATOM 261 O ARG A 20 4.448 7.943 -8.281 1.00 0.00 O ATOM 262 CB ARG A 20 5.121 10.053 -10.903 1.00 0.00 C ATOM 263 CG ARG A 20 4.990 9.158 -12.137 1.00 0.00 C ATOM 264 CD ARG A 20 6.363 8.691 -12.625 1.00 0.00 C ATOM 265 NE ARG A 20 6.284 8.283 -14.045 1.00 0.00 N ATOM 266 CZ ARG A 20 6.070 9.132 -15.060 1.00 0.00 C ATOM 267 NH1 ARG A 20 5.913 10.440 -14.817 1.00 0.00 N ATOM 268 NH2 ARG A 20 6.014 8.672 -16.317 1.00 0.00 N ATOM 0 H ARG A 20 3.377 11.674 -10.120 1.00 0.00 H new ATOM 0 HA ARG A 20 3.356 8.994 -10.294 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.023 11.098 -11.196 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.113 9.935 -10.468 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.371 8.293 -11.899 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.483 9.703 -12.933 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.092 9.493 -12.509 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.709 7.855 -12.017 1.00 0.00 H new ATOM 0 HE ARG A 20 6.400 7.294 -14.265 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.956 10.790 -13.860 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.750 11.086 -15.589 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.134 7.676 -16.501 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.851 9.318 -17.090 1.00 0.00 H new ATOM 282 N GLN A 21 5.614 9.865 -8.028 1.00 0.00 N ATOM 283 CA GLN A 21 6.333 9.404 -6.852 1.00 0.00 C ATOM 284 C GLN A 21 5.362 8.784 -5.845 1.00 0.00 C ATOM 285 O GLN A 21 5.458 7.597 -5.535 1.00 0.00 O ATOM 286 CB GLN A 21 7.130 10.544 -6.215 1.00 0.00 C ATOM 287 CG GLN A 21 8.302 10.959 -7.106 1.00 0.00 C ATOM 288 CD GLN A 21 9.324 11.781 -6.319 1.00 0.00 C ATOM 289 OE1 GLN A 21 9.038 12.341 -5.274 1.00 0.00 O ATOM 290 NE2 GLN A 21 10.530 11.823 -6.879 1.00 0.00 N ATOM 0 H GLN A 21 5.847 10.812 -8.327 1.00 0.00 H new ATOM 0 HA GLN A 21 7.043 8.637 -7.162 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.476 11.400 -6.046 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.503 10.231 -5.240 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.783 10.072 -7.517 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.933 11.542 -7.950 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.703 11.331 -7.756 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.282 12.347 -6.432 1.00 0.00 H new ATOM 299 N LEU A 22 4.449 9.614 -5.364 1.00 0.00 N ATOM 300 CA LEU A 22 3.461 9.162 -4.398 1.00 0.00 C ATOM 301 C LEU A 22 2.857 7.840 -4.875 1.00 0.00 C ATOM 302 O LEU A 22 2.798 6.872 -4.118 1.00 0.00 O ATOM 303 CB LEU A 22 2.423 10.256 -4.142 1.00 0.00 C ATOM 304 CG LEU A 22 2.887 11.433 -3.282 1.00 0.00 C ATOM 305 CD1 LEU A 22 1.763 12.455 -3.099 1.00 0.00 C ATOM 306 CD2 LEU A 22 3.443 10.948 -1.943 1.00 0.00 C ATOM 0 H LEU A 22 4.372 10.597 -5.625 1.00 0.00 H new ATOM 0 HA LEU A 22 3.931 8.969 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.089 10.644 -5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.556 9.801 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 22 3.700 11.938 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.119 13.281 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.454 12.834 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.914 11.978 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.766 11.805 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.668 10.405 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.293 10.288 -2.119 1.00 0.00 H new ATOM 318 N ARG A 23 2.423 7.841 -6.127 1.00 0.00 N ATOM 319 CA ARG A 23 1.825 6.654 -6.713 1.00 0.00 C ATOM 320 C ARG A 23 2.763 5.455 -6.556 1.00 0.00 C ATOM 321 O ARG A 23 2.308 4.319 -6.426 1.00 0.00 O ATOM 322 CB ARG A 23 1.523 6.865 -8.198 1.00 0.00 C ATOM 323 CG ARG A 23 0.363 7.844 -8.387 1.00 0.00 C ATOM 324 CD ARG A 23 -0.342 7.607 -9.725 1.00 0.00 C ATOM 325 NE ARG A 23 0.250 8.472 -10.769 1.00 0.00 N ATOM 326 CZ ARG A 23 1.362 8.171 -11.453 1.00 0.00 C ATOM 327 NH1 ARG A 23 2.010 7.023 -11.207 1.00 0.00 N ATOM 328 NH2 ARG A 23 1.827 9.016 -12.383 1.00 0.00 N ATOM 0 H ARG A 23 2.474 8.646 -6.752 1.00 0.00 H new ATOM 0 HA ARG A 23 0.890 6.460 -6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.411 7.246 -8.703 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.277 5.910 -8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.350 7.730 -7.571 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.736 8.867 -8.344 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.250 6.560 -10.013 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.407 7.818 -9.627 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.218 9.353 -10.981 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.656 6.379 -10.499 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.857 6.794 -11.728 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.334 9.889 -12.571 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.674 8.786 -12.903 1.00 0.00 H new ATOM 342 N GLU A 24 4.055 5.748 -6.573 1.00 0.00 N ATOM 343 CA GLU A 24 5.060 4.709 -6.434 1.00 0.00 C ATOM 344 C GLU A 24 5.200 4.298 -4.967 1.00 0.00 C ATOM 345 O GLU A 24 5.195 3.109 -4.648 1.00 0.00 O ATOM 346 CB GLU A 24 6.404 5.165 -7.005 1.00 0.00 C ATOM 347 CG GLU A 24 6.241 5.696 -8.431 1.00 0.00 C ATOM 348 CD GLU A 24 7.315 5.119 -9.357 1.00 0.00 C ATOM 349 OE1 GLU A 24 8.481 5.064 -8.909 1.00 0.00 O ATOM 350 OE2 GLU A 24 6.945 4.745 -10.491 1.00 0.00 O ATOM 0 H GLU A 24 4.429 6.691 -6.681 1.00 0.00 H new ATOM 0 HA GLU A 24 4.736 3.840 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.828 5.942 -6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.107 4.332 -7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.252 5.436 -8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.305 6.784 -8.427 1.00 0.00 H new ATOM 357 N GLN A 25 5.321 5.303 -4.113 1.00 0.00 N ATOM 358 CA GLN A 25 5.461 5.061 -2.687 1.00 0.00 C ATOM 359 C GLN A 25 4.262 4.268 -2.162 1.00 0.00 C ATOM 360 O GLN A 25 4.431 3.221 -1.540 1.00 0.00 O ATOM 361 CB GLN A 25 5.626 6.376 -1.921 1.00 0.00 C ATOM 362 CG GLN A 25 7.095 6.628 -1.576 1.00 0.00 C ATOM 363 CD GLN A 25 7.229 7.300 -0.207 1.00 0.00 C ATOM 364 OE1 GLN A 25 7.026 6.695 0.832 1.00 0.00 O ATOM 365 NE2 GLN A 25 7.581 8.581 -0.266 1.00 0.00 N ATOM 0 H GLN A 25 5.325 6.287 -4.381 1.00 0.00 H new ATOM 0 HA GLN A 25 6.362 4.469 -2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.243 7.201 -2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.034 6.345 -1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.640 5.684 -1.577 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.549 7.258 -2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.736 9.026 -1.171 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.697 9.118 0.593 1.00 0.00 H new ATOM 374 N VAL A 26 3.079 4.799 -2.433 1.00 0.00 N ATOM 375 CA VAL A 26 1.852 4.153 -1.996 1.00 0.00 C ATOM 376 C VAL A 26 1.892 2.674 -2.385 1.00 0.00 C ATOM 377 O VAL A 26 1.638 1.803 -1.555 1.00 0.00 O ATOM 378 CB VAL A 26 0.640 4.890 -2.570 1.00 0.00 C ATOM 379 CG1 VAL A 26 -0.652 4.119 -2.291 1.00 0.00 C ATOM 380 CG2 VAL A 26 0.556 6.317 -2.023 1.00 0.00 C ATOM 0 H VAL A 26 2.944 5.668 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 26 1.761 4.201 -0.911 1.00 0.00 H new ATOM 0 HB VAL A 26 0.767 4.953 -3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.498 4.664 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.593 3.132 -2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.786 4.011 -1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.314 6.818 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.464 6.286 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.458 6.865 -2.295 1.00 0.00 H new ATOM 390 N ASN A 27 2.213 2.437 -3.648 1.00 0.00 N ATOM 391 CA ASN A 27 2.290 1.078 -4.158 1.00 0.00 C ATOM 392 C ASN A 27 3.226 0.257 -3.270 1.00 0.00 C ATOM 393 O ASN A 27 2.779 -0.627 -2.540 1.00 0.00 O ATOM 394 CB ASN A 27 2.848 1.055 -5.582 1.00 0.00 C ATOM 395 CG ASN A 27 3.105 -0.380 -6.047 1.00 0.00 C ATOM 396 OD1 ASN A 27 4.371 -0.770 -5.926 1.00 0.00 O flip ATOM 397 ND2 ASN A 27 2.213 -1.087 -6.487 1.00 0.00 N flip ATOM 0 H ASN A 27 2.423 3.163 -4.334 1.00 0.00 H new ATOM 0 HA ASN A 27 1.283 0.661 -4.159 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.146 1.540 -6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.776 1.626 -5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.261 -0.726 -6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.419 -2.039 -6.789 1.00 0.00 H new ATOM 404 N ASP A 28 4.509 0.578 -3.360 1.00 0.00 N ATOM 405 CA ASP A 28 5.512 -0.119 -2.573 1.00 0.00 C ATOM 406 C ASP A 28 5.050 -0.194 -1.117 1.00 0.00 C ATOM 407 O ASP A 28 5.242 -1.211 -0.452 1.00 0.00 O ATOM 408 CB ASP A 28 6.851 0.620 -2.608 1.00 0.00 C ATOM 409 CG ASP A 28 8.074 -0.268 -2.842 1.00 0.00 C ATOM 410 OD1 ASP A 28 7.936 -1.228 -3.630 1.00 0.00 O ATOM 411 OD2 ASP A 28 9.120 0.034 -2.228 1.00 0.00 O ATOM 0 H ASP A 28 4.876 1.312 -3.966 1.00 0.00 H new ATOM 0 HA ASP A 28 5.640 -1.116 -2.996 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.812 1.374 -3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.981 1.150 -1.665 1.00 0.00 H new ATOM 416 N LEU A 29 4.451 0.897 -0.663 1.00 0.00 N ATOM 417 CA LEU A 29 3.961 0.969 0.703 1.00 0.00 C ATOM 418 C LEU A 29 3.100 -0.262 0.996 1.00 0.00 C ATOM 419 O LEU A 29 3.489 -1.123 1.784 1.00 0.00 O ATOM 420 CB LEU A 29 3.240 2.296 0.945 1.00 0.00 C ATOM 421 CG LEU A 29 2.004 2.233 1.846 1.00 0.00 C ATOM 422 CD1 LEU A 29 2.321 1.523 3.163 1.00 0.00 C ATOM 423 CD2 LEU A 29 1.420 3.629 2.073 1.00 0.00 C ATOM 0 H LEU A 29 4.294 1.739 -1.217 1.00 0.00 H new ATOM 0 HA LEU A 29 4.792 0.953 1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.950 2.998 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.941 2.706 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 29 1.241 1.643 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.426 1.492 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.655 0.506 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.108 2.064 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.543 3.556 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.168 4.263 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.133 4.063 1.115 1.00 0.00 H new ATOM 435 N PHE A 30 1.946 -0.305 0.347 1.00 0.00 N ATOM 436 CA PHE A 30 1.027 -1.416 0.528 1.00 0.00 C ATOM 437 C PHE A 30 1.737 -2.755 0.321 1.00 0.00 C ATOM 438 O PHE A 30 1.580 -3.675 1.122 1.00 0.00 O ATOM 439 CB PHE A 30 -0.070 -1.265 -0.529 1.00 0.00 C ATOM 440 CG PHE A 30 -0.971 -0.047 -0.321 1.00 0.00 C ATOM 441 CD1 PHE A 30 -1.322 0.333 0.937 1.00 0.00 C ATOM 442 CD2 PHE A 30 -1.422 0.657 -1.394 1.00 0.00 C ATOM 443 CE1 PHE A 30 -2.159 1.464 1.130 1.00 0.00 C ATOM 444 CE2 PHE A 30 -2.258 1.788 -1.201 1.00 0.00 C ATOM 445 CZ PHE A 30 -2.609 2.167 0.057 1.00 0.00 C ATOM 0 H PHE A 30 1.626 0.411 -0.305 1.00 0.00 H new ATOM 0 HA PHE A 30 0.622 -1.403 1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.395 -1.197 -1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.686 -2.164 -0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.964 -0.225 1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.144 0.355 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.438 1.765 2.129 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.615 2.347 -2.053 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.246 3.027 0.204 1.00 0.00 H new ATOM 455 N SER A 31 2.505 -2.821 -0.757 1.00 0.00 N ATOM 456 CA SER A 31 3.240 -4.033 -1.079 1.00 0.00 C ATOM 457 C SER A 31 4.129 -4.434 0.100 1.00 0.00 C ATOM 458 O SER A 31 4.132 -5.593 0.513 1.00 0.00 O ATOM 459 CB SER A 31 4.084 -3.845 -2.341 1.00 0.00 C ATOM 460 OG SER A 31 3.376 -3.142 -3.358 1.00 0.00 O ATOM 0 H SER A 31 2.634 -2.055 -1.418 1.00 0.00 H new ATOM 0 HA SER A 31 2.521 -4.829 -1.271 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.994 -3.300 -2.090 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.390 -4.820 -2.721 1.00 0.00 H new ATOM 0 HG SER A 31 3.223 -2.218 -3.071 1.00 0.00 H new ATOM 466 N ARG A 32 4.861 -3.454 0.609 1.00 0.00 N ATOM 467 CA ARG A 32 5.752 -3.691 1.732 1.00 0.00 C ATOM 468 C ARG A 32 4.988 -4.343 2.886 1.00 0.00 C ATOM 469 O ARG A 32 5.202 -5.515 3.193 1.00 0.00 O ATOM 470 CB ARG A 32 6.382 -2.384 2.219 1.00 0.00 C ATOM 471 CG ARG A 32 7.904 -2.511 2.312 1.00 0.00 C ATOM 472 CD ARG A 32 8.471 -1.555 3.363 1.00 0.00 C ATOM 473 NE ARG A 32 9.501 -2.245 4.172 1.00 0.00 N ATOM 474 CZ ARG A 32 9.227 -3.132 5.138 1.00 0.00 C ATOM 475 NH1 ARG A 32 7.955 -3.442 5.422 1.00 0.00 N ATOM 476 NH2 ARG A 32 10.226 -3.709 5.820 1.00 0.00 N ATOM 0 H ARG A 32 4.855 -2.494 0.264 1.00 0.00 H new ATOM 0 HA ARG A 32 6.544 -4.359 1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.122 -1.574 1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.975 -2.121 3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.172 -3.537 2.566 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.350 -2.296 1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.904 -0.681 2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.670 -1.195 4.009 1.00 0.00 H new ATOM 0 HE ARG A 32 10.480 -2.032 3.982 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.195 -3.003 4.903 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.747 -4.117 6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.194 -3.473 5.604 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.018 -4.384 6.556 1.00 0.00 H new ATOM 490 N LYS A 33 4.114 -3.555 3.496 1.00 0.00 N ATOM 491 CA LYS A 33 3.318 -4.041 4.610 1.00 0.00 C ATOM 492 C LYS A 33 2.654 -5.363 4.218 1.00 0.00 C ATOM 493 O LYS A 33 2.771 -6.357 4.934 1.00 0.00 O ATOM 494 CB LYS A 33 2.329 -2.969 5.070 1.00 0.00 C ATOM 495 CG LYS A 33 3.046 -1.851 5.829 1.00 0.00 C ATOM 496 CD LYS A 33 3.653 -0.832 4.861 1.00 0.00 C ATOM 497 CE LYS A 33 3.893 0.509 5.557 1.00 0.00 C ATOM 498 NZ LYS A 33 4.881 0.357 6.649 1.00 0.00 N ATOM 0 H LYS A 33 3.940 -2.583 3.239 1.00 0.00 H new ATOM 0 HA LYS A 33 3.954 -4.246 5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.811 -2.553 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.570 -3.420 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.344 -1.351 6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.831 -2.276 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.594 -1.215 4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.986 -0.690 4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.251 1.242 4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.954 0.890 5.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.147 1.295 7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.464 -0.205 7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.727 -0.127 6.287 1.00 0.00 H new ATOM 512 N PHE A 34 1.972 -5.332 3.083 1.00 0.00 N ATOM 513 CA PHE A 34 1.289 -6.515 2.587 1.00 0.00 C ATOM 514 C PHE A 34 2.154 -7.764 2.769 1.00 0.00 C ATOM 515 O PHE A 34 1.658 -8.813 3.177 1.00 0.00 O ATOM 516 CB PHE A 34 1.040 -6.295 1.094 1.00 0.00 C ATOM 517 CG PHE A 34 0.503 -7.528 0.364 1.00 0.00 C ATOM 518 CD1 PHE A 34 -0.719 -8.031 0.687 1.00 0.00 C ATOM 519 CD2 PHE A 34 1.247 -8.122 -0.607 1.00 0.00 C ATOM 520 CE1 PHE A 34 -1.217 -9.175 0.010 1.00 0.00 C ATOM 521 CE2 PHE A 34 0.749 -9.266 -1.284 1.00 0.00 C ATOM 522 CZ PHE A 34 -0.473 -9.769 -0.961 1.00 0.00 C ATOM 0 H PHE A 34 1.878 -4.506 2.492 1.00 0.00 H new ATOM 0 HA PHE A 34 0.360 -6.666 3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.332 -5.476 0.971 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.972 -5.984 0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.310 -7.560 1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.217 -7.723 -0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.187 -9.574 0.266 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.340 -9.737 -2.055 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.852 -10.640 -1.475 1.00 0.00 H new ATOM 532 N GLY A 35 3.433 -7.610 2.458 1.00 0.00 N ATOM 533 CA GLY A 35 4.371 -8.712 2.582 1.00 0.00 C ATOM 534 C GLY A 35 4.239 -9.394 3.945 1.00 0.00 C ATOM 535 O GLY A 35 4.465 -10.597 4.066 1.00 0.00 O ATOM 0 H GLY A 35 3.841 -6.738 2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.191 -9.438 1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.389 -8.344 2.453 1.00 0.00 H new ATOM 539 N GLU A 36 3.873 -8.596 4.938 1.00 0.00 N ATOM 540 CA GLU A 36 3.707 -9.107 6.287 1.00 0.00 C ATOM 541 C GLU A 36 2.511 -10.059 6.352 1.00 0.00 C ATOM 542 O GLU A 36 2.597 -11.130 6.949 1.00 0.00 O ATOM 543 CB GLU A 36 3.554 -7.964 7.292 1.00 0.00 C ATOM 544 CG GLU A 36 4.675 -6.936 7.129 1.00 0.00 C ATOM 545 CD GLU A 36 5.945 -7.390 7.851 1.00 0.00 C ATOM 546 OE1 GLU A 36 5.819 -7.774 9.034 1.00 0.00 O ATOM 547 OE2 GLU A 36 7.013 -7.344 7.203 1.00 0.00 O ATOM 0 H GLU A 36 3.687 -7.599 4.834 1.00 0.00 H new ATOM 0 HA GLU A 36 4.604 -9.665 6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.588 -7.479 7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.566 -8.363 8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.887 -6.789 6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.351 -5.974 7.526 1.00 0.00 H new ATOM 554 N ALA A 37 1.422 -9.632 5.728 1.00 0.00 N ATOM 555 CA ALA A 37 0.210 -10.432 5.707 1.00 0.00 C ATOM 556 C ALA A 37 0.523 -11.809 5.118 1.00 0.00 C ATOM 557 O ALA A 37 -0.247 -12.753 5.293 1.00 0.00 O ATOM 558 CB ALA A 37 -0.876 -9.694 4.921 1.00 0.00 C ATOM 0 H ALA A 37 1.355 -8.742 5.234 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.167 -10.584 6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.785 -10.295 4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.082 -8.736 5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.535 -9.525 3.900 1.00 0.00 H new ATOM 564 N ILE A 38 1.654 -11.880 4.431 1.00 0.00 N ATOM 565 CA ILE A 38 2.078 -13.126 3.815 1.00 0.00 C ATOM 566 C ILE A 38 3.400 -13.575 4.441 1.00 0.00 C ATOM 567 O ILE A 38 4.092 -14.430 3.891 1.00 0.00 O ATOM 568 CB ILE A 38 2.136 -12.978 2.294 1.00 0.00 C ATOM 569 CG1 ILE A 38 2.666 -11.599 1.896 1.00 0.00 C ATOM 570 CG2 ILE A 38 0.774 -13.273 1.662 1.00 0.00 C ATOM 571 CD1 ILE A 38 2.576 -11.393 0.383 1.00 0.00 C ATOM 0 H ILE A 38 2.289 -11.095 4.287 1.00 0.00 H new ATOM 0 HA ILE A 38 1.350 -13.914 4.008 1.00 0.00 H new ATOM 0 HB ILE A 38 2.838 -13.716 1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.094 -10.824 2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.702 -11.496 2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.843 -13.161 0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.475 -14.293 1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.033 -12.576 2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.959 -10.405 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.169 -12.155 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.536 -11.472 0.066 1.00 0.00 H new ATOM 583 N GLY A 39 3.711 -12.978 5.582 1.00 0.00 N ATOM 584 CA GLY A 39 4.938 -13.305 6.288 1.00 0.00 C ATOM 585 C GLY A 39 6.143 -13.257 5.345 1.00 0.00 C ATOM 586 O GLY A 39 7.182 -13.850 5.630 1.00 0.00 O ATOM 0 H GLY A 39 3.134 -12.269 6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.087 -12.604 7.110 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.855 -14.299 6.728 1.00 0.00 H new ATOM 590 N MET A 40 5.962 -12.545 4.243 1.00 0.00 N ATOM 591 CA MET A 40 7.021 -12.411 3.257 1.00 0.00 C ATOM 592 C MET A 40 8.090 -11.423 3.730 1.00 0.00 C ATOM 593 O MET A 40 7.812 -10.548 4.548 1.00 0.00 O ATOM 594 CB MET A 40 6.428 -11.926 1.932 1.00 0.00 C ATOM 595 CG MET A 40 5.457 -12.959 1.356 1.00 0.00 C ATOM 596 SD MET A 40 6.363 -14.348 0.697 1.00 0.00 S ATOM 597 CE MET A 40 5.763 -14.341 -0.984 1.00 0.00 C ATOM 0 H MET A 40 5.098 -12.055 4.011 1.00 0.00 H new ATOM 0 HA MET A 40 7.489 -13.386 3.120 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.909 -10.980 2.086 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.230 -11.737 1.218 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.771 -13.297 2.132 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.852 -12.504 0.572 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.559 -14.662 -1.656 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.917 -15.023 -1.071 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.446 -13.333 -1.253 1.00 0.00 H new ATOM 607 N GLY A 41 9.289 -11.597 3.194 1.00 0.00 N ATOM 608 CA GLY A 41 10.400 -10.731 3.552 1.00 0.00 C ATOM 609 C GLY A 41 10.660 -9.694 2.458 1.00 0.00 C ATOM 610 O GLY A 41 11.790 -9.236 2.287 1.00 0.00 O ATOM 0 H GLY A 41 9.516 -12.324 2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.183 -10.226 4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.297 -11.330 3.711 1.00 0.00 H new ATOM 614 N PHE A 42 9.597 -9.352 1.746 1.00 0.00 N ATOM 615 CA PHE A 42 9.696 -8.377 0.673 1.00 0.00 C ATOM 616 C PHE A 42 8.315 -7.842 0.288 1.00 0.00 C ATOM 617 O PHE A 42 7.296 -8.433 0.643 1.00 0.00 O ATOM 618 CB PHE A 42 10.305 -9.097 -0.532 1.00 0.00 C ATOM 619 CG PHE A 42 9.798 -10.528 -0.723 1.00 0.00 C ATOM 620 CD1 PHE A 42 8.471 -10.760 -0.911 1.00 0.00 C ATOM 621 CD2 PHE A 42 10.674 -11.568 -0.703 1.00 0.00 C ATOM 622 CE1 PHE A 42 8.001 -12.088 -1.089 1.00 0.00 C ATOM 623 CE2 PHE A 42 10.203 -12.896 -0.880 1.00 0.00 C ATOM 624 CZ PHE A 42 8.877 -13.128 -1.069 1.00 0.00 C ATOM 0 H PHE A 42 8.662 -9.733 1.891 1.00 0.00 H new ATOM 0 HA PHE A 42 10.306 -7.533 0.994 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.089 -8.523 -1.433 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.389 -9.118 -0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.775 -9.934 -0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.728 -11.384 -0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.948 -12.272 -1.240 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.899 -13.722 -0.864 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.519 -14.138 -1.203 1.00 0.00 H new ATOM 634 N PRO A 43 8.326 -6.701 -0.452 1.00 0.00 N ATOM 635 CA PRO A 43 7.087 -6.081 -0.888 1.00 0.00 C ATOM 636 C PRO A 43 6.458 -6.864 -2.042 1.00 0.00 C ATOM 637 O PRO A 43 7.042 -6.963 -3.121 1.00 0.00 O ATOM 638 CB PRO A 43 7.472 -4.662 -1.274 1.00 0.00 C ATOM 639 CG PRO A 43 8.978 -4.681 -1.481 1.00 0.00 C ATOM 640 CD PRO A 43 9.513 -5.975 -0.891 1.00 0.00 C ATOM 0 HA PRO A 43 6.323 -6.075 -0.110 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.957 -4.351 -2.183 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.194 -3.955 -0.492 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.218 -4.617 -2.542 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.441 -3.821 -0.997 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.075 -6.545 -1.631 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.189 -5.781 -0.058 1.00 0.00 H new ATOM 648 N VAL A 44 5.276 -7.401 -1.777 1.00 0.00 N ATOM 649 CA VAL A 44 4.562 -8.173 -2.779 1.00 0.00 C ATOM 650 C VAL A 44 3.399 -7.341 -3.323 1.00 0.00 C ATOM 651 O VAL A 44 2.907 -6.438 -2.648 1.00 0.00 O ATOM 652 CB VAL A 44 4.115 -9.512 -2.189 1.00 0.00 C ATOM 653 CG1 VAL A 44 3.547 -10.428 -3.275 1.00 0.00 C ATOM 654 CG2 VAL A 44 5.265 -10.193 -1.444 1.00 0.00 C ATOM 0 H VAL A 44 4.795 -7.316 -0.882 1.00 0.00 H new ATOM 0 HA VAL A 44 5.216 -8.407 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 44 3.320 -9.313 -1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.237 -11.373 -2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.687 -9.948 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.312 -10.616 -4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.921 -11.143 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.090 -10.373 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.605 -9.549 -0.633 1.00 0.00 H new ATOM 664 N LYS A 45 2.991 -7.676 -4.539 1.00 0.00 N ATOM 665 CA LYS A 45 1.895 -6.972 -5.181 1.00 0.00 C ATOM 666 C LYS A 45 0.670 -6.998 -4.264 1.00 0.00 C ATOM 667 O LYS A 45 0.525 -7.903 -3.443 1.00 0.00 O ATOM 668 CB LYS A 45 1.632 -7.546 -6.575 1.00 0.00 C ATOM 669 CG LYS A 45 2.767 -7.192 -7.537 1.00 0.00 C ATOM 670 CD LYS A 45 2.223 -6.851 -8.925 1.00 0.00 C ATOM 671 CE LYS A 45 3.338 -6.872 -9.972 1.00 0.00 C ATOM 672 NZ LYS A 45 3.469 -8.222 -10.563 1.00 0.00 N ATOM 0 H LYS A 45 3.400 -8.426 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 45 2.155 -5.925 -5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.528 -8.629 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.689 -7.157 -6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.330 -6.345 -7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.461 -8.029 -7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.447 -7.565 -9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.757 -5.866 -8.905 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.123 -6.145 -10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.281 -6.576 -9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.230 -8.218 -11.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.696 -8.908 -9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.573 -8.490 -11.019 1.00 0.00 H new ATOM 686 N VAL A 46 -0.179 -5.996 -4.434 1.00 0.00 N ATOM 687 CA VAL A 46 -1.386 -5.893 -3.632 1.00 0.00 C ATOM 688 C VAL A 46 -2.606 -5.879 -4.554 1.00 0.00 C ATOM 689 O VAL A 46 -2.780 -4.955 -5.347 1.00 0.00 O ATOM 690 CB VAL A 46 -1.308 -4.663 -2.725 1.00 0.00 C ATOM 691 CG1 VAL A 46 -2.667 -4.365 -2.088 1.00 0.00 C ATOM 692 CG2 VAL A 46 -0.227 -4.837 -1.656 1.00 0.00 C ATOM 0 H VAL A 46 -0.055 -5.248 -5.116 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.484 -6.758 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.033 -3.808 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.584 -3.486 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.402 -4.176 -2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.984 -5.220 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.193 -3.949 -1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.458 -5.708 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.741 -4.978 -2.137 1.00 0.00 H new ATOM 702 N PRO A 47 -3.442 -6.943 -4.417 1.00 0.00 N ATOM 703 CA PRO A 47 -4.642 -7.062 -5.229 1.00 0.00 C ATOM 704 C PRO A 47 -5.729 -6.101 -4.744 1.00 0.00 C ATOM 705 O PRO A 47 -6.720 -6.527 -4.153 1.00 0.00 O ATOM 706 CB PRO A 47 -5.048 -8.523 -5.119 1.00 0.00 C ATOM 707 CG PRO A 47 -4.338 -9.061 -3.887 1.00 0.00 C ATOM 708 CD PRO A 47 -3.268 -8.057 -3.489 1.00 0.00 C ATOM 0 HA PRO A 47 -4.475 -6.786 -6.270 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.129 -8.622 -5.021 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.757 -9.078 -6.011 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.046 -9.207 -3.072 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.890 -10.032 -4.098 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.392 -7.734 -2.455 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.270 -8.488 -3.570 1.00 0.00 H new ATOM 716 N TYR A 48 -5.507 -4.823 -5.012 1.00 0.00 N ATOM 717 CA TYR A 48 -6.455 -3.798 -4.611 1.00 0.00 C ATOM 718 C TYR A 48 -7.864 -4.129 -5.109 1.00 0.00 C ATOM 719 O TYR A 48 -8.848 -3.868 -4.419 1.00 0.00 O ATOM 720 CB TYR A 48 -5.984 -2.503 -5.276 1.00 0.00 C ATOM 721 CG TYR A 48 -4.500 -2.198 -5.060 1.00 0.00 C ATOM 722 CD1 TYR A 48 -4.012 -2.015 -3.781 1.00 0.00 C ATOM 723 CD2 TYR A 48 -3.650 -2.104 -6.143 1.00 0.00 C ATOM 724 CE1 TYR A 48 -2.616 -1.728 -3.578 1.00 0.00 C ATOM 725 CE2 TYR A 48 -2.254 -1.817 -5.939 1.00 0.00 C ATOM 726 CZ TYR A 48 -1.805 -1.643 -4.667 1.00 0.00 C ATOM 727 OH TYR A 48 -0.487 -1.371 -4.475 1.00 0.00 O ATOM 0 H TYR A 48 -4.684 -4.474 -5.502 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.497 -3.719 -3.525 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.180 -2.564 -6.346 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.575 -1.672 -4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.677 -2.087 -2.933 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.032 -2.246 -7.143 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.221 -1.583 -2.583 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.578 -1.742 -6.778 1.00 0.00 H new ATOM 0 HH TYR A 48 0.040 -1.788 -5.188 1.00 0.00 H new ATOM 737 N ARG A 49 -7.915 -4.699 -6.304 1.00 0.00 N ATOM 738 CA ARG A 49 -9.187 -5.068 -6.903 1.00 0.00 C ATOM 739 C ARG A 49 -9.965 -5.995 -5.966 1.00 0.00 C ATOM 740 O ARG A 49 -11.003 -5.611 -5.430 1.00 0.00 O ATOM 741 CB ARG A 49 -8.980 -5.770 -8.247 1.00 0.00 C ATOM 742 CG ARG A 49 -10.293 -5.861 -9.026 1.00 0.00 C ATOM 743 CD ARG A 49 -10.353 -4.799 -10.126 1.00 0.00 C ATOM 744 NE ARG A 49 -11.710 -4.755 -10.714 1.00 0.00 N ATOM 745 CZ ARG A 49 -12.167 -3.752 -11.475 1.00 0.00 C ATOM 746 NH1 ARG A 49 -11.378 -2.702 -11.744 1.00 0.00 N ATOM 747 NH2 ARG A 49 -13.413 -3.797 -11.967 1.00 0.00 N ATOM 0 H ARG A 49 -7.097 -4.914 -6.874 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.754 -4.152 -7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.241 -5.226 -8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.581 -6.771 -8.081 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.390 -6.853 -9.468 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.134 -5.732 -8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.094 -3.823 -9.715 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.619 -5.024 -10.900 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.337 -5.538 -10.528 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.430 -2.667 -11.369 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.726 -1.938 -12.324 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.014 -4.595 -11.762 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.760 -3.033 -12.546 1.00 0.00 H new ATOM 761 N LYS A 50 -9.433 -7.196 -5.798 1.00 0.00 N ATOM 762 CA LYS A 50 -10.065 -8.180 -4.936 1.00 0.00 C ATOM 763 C LYS A 50 -10.497 -7.507 -3.632 1.00 0.00 C ATOM 764 O LYS A 50 -11.658 -7.598 -3.236 1.00 0.00 O ATOM 765 CB LYS A 50 -9.143 -9.384 -4.731 1.00 0.00 C ATOM 766 CG LYS A 50 -9.218 -10.342 -5.922 1.00 0.00 C ATOM 767 CD LYS A 50 -7.825 -10.621 -6.490 1.00 0.00 C ATOM 768 CE LYS A 50 -7.616 -12.119 -6.719 1.00 0.00 C ATOM 769 NZ LYS A 50 -6.238 -12.512 -6.352 1.00 0.00 N ATOM 0 H LYS A 50 -8.571 -7.510 -6.244 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.966 -8.574 -5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.116 -9.042 -4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.424 -9.910 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.682 -11.278 -5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.852 -9.914 -6.698 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.698 -10.085 -7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.066 -10.245 -5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.333 -12.687 -6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.804 -12.363 -7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.113 -13.532 -6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.559 -11.983 -6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.072 -12.298 -5.348 1.00 0.00 H new ATOM 783 N ILE A 51 -9.539 -6.845 -2.999 1.00 0.00 N ATOM 784 CA ILE A 51 -9.805 -6.157 -1.748 1.00 0.00 C ATOM 785 C ILE A 51 -10.978 -5.194 -1.940 1.00 0.00 C ATOM 786 O ILE A 51 -11.774 -4.989 -1.025 1.00 0.00 O ATOM 787 CB ILE A 51 -8.535 -5.482 -1.227 1.00 0.00 C ATOM 788 CG1 ILE A 51 -7.656 -6.478 -0.468 1.00 0.00 C ATOM 789 CG2 ILE A 51 -8.874 -4.255 -0.378 1.00 0.00 C ATOM 790 CD1 ILE A 51 -6.223 -6.464 -1.003 1.00 0.00 C ATOM 0 H ILE A 51 -8.577 -6.771 -3.330 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.099 -6.869 -0.977 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.959 -5.132 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.654 -6.231 0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.073 -7.481 -0.561 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.953 -3.794 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.428 -3.537 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.482 -4.559 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.620 -7.181 -0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.226 -6.735 -2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.801 -5.466 -0.886 1.00 0.00 H new ATOM 802 N THR A 52 -11.049 -4.629 -3.137 1.00 0.00 N ATOM 803 CA THR A 52 -12.112 -3.693 -3.461 1.00 0.00 C ATOM 804 C THR A 52 -13.453 -4.422 -3.557 1.00 0.00 C ATOM 805 O THR A 52 -14.340 -4.209 -2.730 1.00 0.00 O ATOM 806 CB THR A 52 -11.723 -2.964 -4.748 1.00 0.00 C ATOM 807 OG1 THR A 52 -11.506 -1.618 -4.333 1.00 0.00 O ATOM 808 CG2 THR A 52 -12.885 -2.866 -5.739 1.00 0.00 C ATOM 0 H THR A 52 -10.387 -4.802 -3.894 1.00 0.00 H new ATOM 0 HA THR A 52 -12.238 -2.949 -2.674 1.00 0.00 H new ATOM 0 HB THR A 52 -10.887 -3.480 -5.219 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.248 -1.075 -5.107 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.556 -2.340 -6.635 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.219 -3.868 -6.009 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.709 -2.320 -5.280 1.00 0.00 H new ATOM 816 N ILE A 53 -13.561 -5.266 -4.572 1.00 0.00 N ATOM 817 CA ILE A 53 -14.780 -6.027 -4.787 1.00 0.00 C ATOM 818 C ILE A 53 -15.232 -6.643 -3.461 1.00 0.00 C ATOM 819 O ILE A 53 -16.428 -6.751 -3.198 1.00 0.00 O ATOM 820 CB ILE A 53 -14.581 -7.053 -5.904 1.00 0.00 C ATOM 821 CG1 ILE A 53 -13.387 -7.963 -5.607 1.00 0.00 C ATOM 822 CG2 ILE A 53 -14.452 -6.364 -7.264 1.00 0.00 C ATOM 823 CD1 ILE A 53 -12.953 -8.725 -6.861 1.00 0.00 C ATOM 0 H ILE A 53 -12.824 -5.440 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.583 -5.372 -5.126 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.466 -7.688 -5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.555 -7.367 -5.233 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.651 -8.670 -4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.311 -7.116 -8.041 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.358 -5.794 -7.470 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.595 -5.691 -7.251 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.103 -9.364 -6.622 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -13.780 -9.339 -7.218 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.667 -8.015 -7.637 1.00 0.00 H new ATOM 835 N ASN A 54 -14.250 -7.029 -2.659 1.00 0.00 N ATOM 836 CA ASN A 54 -14.531 -7.631 -1.367 1.00 0.00 C ATOM 837 C ASN A 54 -13.213 -7.935 -0.653 1.00 0.00 C ATOM 838 O ASN A 54 -12.357 -8.633 -1.193 1.00 0.00 O ATOM 839 CB ASN A 54 -15.297 -8.946 -1.527 1.00 0.00 C ATOM 840 CG ASN A 54 -14.379 -10.056 -2.041 1.00 0.00 C ATOM 841 OD1 ASN A 54 -13.656 -10.695 -1.294 1.00 0.00 O ATOM 842 ND2 ASN A 54 -14.447 -10.249 -3.355 1.00 0.00 N ATOM 0 H ASN A 54 -13.258 -6.936 -2.879 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.136 -6.929 -0.792 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.727 -9.239 -0.569 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.127 -8.806 -2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.872 -10.967 -3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.074 -9.679 -3.922 1.00 0.00 H new ATOM 849 N PRO A 55 -13.088 -7.381 0.583 1.00 0.00 N ATOM 850 CA PRO A 55 -11.889 -7.586 1.377 1.00 0.00 C ATOM 851 C PRO A 55 -11.857 -8.998 1.968 1.00 0.00 C ATOM 852 O PRO A 55 -10.796 -9.492 2.347 1.00 0.00 O ATOM 853 CB PRO A 55 -11.928 -6.499 2.438 1.00 0.00 C ATOM 854 CG PRO A 55 -13.370 -6.019 2.489 1.00 0.00 C ATOM 855 CD PRO A 55 -14.081 -6.549 1.255 1.00 0.00 C ATOM 0 HA PRO A 55 -10.976 -7.514 0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.611 -6.886 3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.253 -5.682 2.185 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.860 -6.377 3.395 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.409 -4.930 2.514 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -14.965 -7.127 1.525 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.417 -5.736 0.612 1.00 0.00 H new ATOM 863 N GLY A 56 -13.032 -9.606 2.028 1.00 0.00 N ATOM 864 CA GLY A 56 -13.152 -10.951 2.566 1.00 0.00 C ATOM 865 C GLY A 56 -11.784 -11.628 2.658 1.00 0.00 C ATOM 866 O GLY A 56 -11.280 -11.871 3.754 1.00 0.00 O ATOM 0 H GLY A 56 -13.910 -9.193 1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.610 -10.912 3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.813 -11.543 1.932 1.00 0.00 H new ATOM 870 N CYS A 57 -11.221 -11.915 1.493 1.00 0.00 N ATOM 871 CA CYS A 57 -9.921 -12.560 1.429 1.00 0.00 C ATOM 872 C CYS A 57 -8.931 -11.730 2.250 1.00 0.00 C ATOM 873 O CYS A 57 -8.725 -11.995 3.433 1.00 0.00 O ATOM 874 CB CYS A 57 -9.451 -12.744 -0.015 1.00 0.00 C ATOM 875 SG CYS A 57 -10.150 -14.286 -0.710 1.00 0.00 S ATOM 0 H CYS A 57 -11.642 -11.712 0.586 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.989 -13.563 1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.761 -11.891 -0.618 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.362 -12.781 -0.050 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.513 -15.309 -0.223 1.00 0.00 H new ATOM 881 N VAL A 58 -8.346 -10.742 1.589 1.00 0.00 N ATOM 882 CA VAL A 58 -7.383 -9.872 2.242 1.00 0.00 C ATOM 883 C VAL A 58 -8.078 -8.576 2.664 1.00 0.00 C ATOM 884 O VAL A 58 -8.909 -8.045 1.928 1.00 0.00 O ATOM 885 CB VAL A 58 -6.183 -9.635 1.323 1.00 0.00 C ATOM 886 CG1 VAL A 58 -5.306 -8.498 1.849 1.00 0.00 C ATOM 887 CG2 VAL A 58 -5.369 -10.918 1.144 1.00 0.00 C ATOM 0 H VAL A 58 -8.520 -10.525 0.608 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.995 -10.342 3.145 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.563 -9.340 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.460 -8.350 1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.892 -7.581 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.939 -8.752 2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.522 -10.723 0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.005 -11.256 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.999 -11.690 0.704 1.00 0.00 H new ATOM 897 N VAL A 59 -7.712 -8.103 3.846 1.00 0.00 N ATOM 898 CA VAL A 59 -8.290 -6.879 4.374 1.00 0.00 C ATOM 899 C VAL A 59 -7.207 -5.801 4.452 1.00 0.00 C ATOM 900 O VAL A 59 -6.020 -6.100 4.339 1.00 0.00 O ATOM 901 CB VAL A 59 -8.958 -7.154 5.723 1.00 0.00 C ATOM 902 CG1 VAL A 59 -9.513 -5.866 6.333 1.00 0.00 C ATOM 903 CG2 VAL A 59 -10.053 -8.214 5.586 1.00 0.00 C ATOM 0 H VAL A 59 -7.022 -8.545 4.453 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.071 -6.508 3.710 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.198 -7.544 6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.982 -6.090 7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.700 -5.155 6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.252 -5.433 5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.512 -8.391 6.559 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.811 -7.865 4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.617 -9.142 5.216 1.00 0.00 H new ATOM 913 N VAL A 60 -7.656 -4.569 4.644 1.00 0.00 N ATOM 914 CA VAL A 60 -6.740 -3.445 4.738 1.00 0.00 C ATOM 915 C VAL A 60 -7.175 -2.533 5.887 1.00 0.00 C ATOM 916 O VAL A 60 -8.303 -2.043 5.903 1.00 0.00 O ATOM 917 CB VAL A 60 -6.664 -2.718 3.394 1.00 0.00 C ATOM 918 CG1 VAL A 60 -5.903 -1.397 3.528 1.00 0.00 C ATOM 919 CG2 VAL A 60 -6.031 -3.610 2.324 1.00 0.00 C ATOM 0 H VAL A 60 -8.642 -4.325 4.737 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.731 -3.792 4.962 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.682 -2.488 3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.863 -0.900 2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.414 -0.754 4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.889 -1.595 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.989 -3.070 1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.022 -3.885 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.631 -4.512 2.200 1.00 0.00 H new ATOM 929 N ASP A 61 -6.257 -2.333 6.822 1.00 0.00 N ATOM 930 CA ASP A 61 -6.532 -1.489 7.972 1.00 0.00 C ATOM 931 C ASP A 61 -5.473 -0.387 8.055 1.00 0.00 C ATOM 932 O ASP A 61 -4.530 -0.367 7.265 1.00 0.00 O ATOM 933 CB ASP A 61 -6.478 -2.294 9.272 1.00 0.00 C ATOM 934 CG ASP A 61 -7.792 -2.971 9.668 1.00 0.00 C ATOM 935 OD1 ASP A 61 -8.458 -3.498 8.751 1.00 0.00 O ATOM 936 OD2 ASP A 61 -8.101 -2.946 10.879 1.00 0.00 O ATOM 0 H ASP A 61 -5.322 -2.741 6.806 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.530 -1.068 7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.707 -3.059 9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.171 -1.630 10.080 1.00 0.00 H new ATOM 941 N GLY A 62 -5.665 0.503 9.018 1.00 0.00 N ATOM 942 CA GLY A 62 -4.739 1.605 9.214 1.00 0.00 C ATOM 943 C GLY A 62 -5.157 2.825 8.391 1.00 0.00 C ATOM 944 O GLY A 62 -4.918 3.962 8.795 1.00 0.00 O ATOM 0 H GLY A 62 -6.448 0.483 9.671 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.702 1.870 10.271 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.734 1.296 8.927 1.00 0.00 H new ATOM 948 N MET A 63 -5.775 2.548 7.252 1.00 0.00 N ATOM 949 CA MET A 63 -6.229 3.610 6.370 1.00 0.00 C ATOM 950 C MET A 63 -6.801 4.781 7.170 1.00 0.00 C ATOM 951 O MET A 63 -7.310 4.594 8.274 1.00 0.00 O ATOM 952 CB MET A 63 -7.302 3.064 5.425 1.00 0.00 C ATOM 953 CG MET A 63 -6.729 1.975 4.516 1.00 0.00 C ATOM 954 SD MET A 63 -5.337 2.613 3.600 1.00 0.00 S ATOM 955 CE MET A 63 -6.194 3.499 2.309 1.00 0.00 C ATOM 0 H MET A 63 -5.972 1.604 6.920 1.00 0.00 H new ATOM 0 HA MET A 63 -5.375 3.970 5.796 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.131 2.659 6.005 1.00 0.00 H new ATOM 0 HB3 MET A 63 -7.704 3.875 4.818 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.419 1.117 5.113 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.497 1.623 3.827 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.656 3.382 1.368 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.203 3.101 2.202 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.247 4.557 2.567 1.00 0.00 H new ATOM 965 N PRO A 64 -6.694 5.996 6.567 1.00 0.00 N ATOM 966 CA PRO A 64 -7.194 7.198 7.212 1.00 0.00 C ATOM 967 C PRO A 64 -8.722 7.260 7.145 1.00 0.00 C ATOM 968 O PRO A 64 -9.346 6.503 6.404 1.00 0.00 O ATOM 969 CB PRO A 64 -6.521 8.347 6.479 1.00 0.00 C ATOM 970 CG PRO A 64 -6.033 7.771 5.160 1.00 0.00 C ATOM 971 CD PRO A 64 -6.096 6.255 5.261 1.00 0.00 C ATOM 0 HA PRO A 64 -6.962 7.232 8.277 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.220 9.167 6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.691 8.749 7.061 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.653 8.125 4.336 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.014 8.098 4.955 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.698 5.829 4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.103 5.811 5.185 1.00 0.00 H new ATOM 979 N PRO A 65 -9.294 8.194 7.951 1.00 0.00 N ATOM 980 CA PRO A 65 -10.737 8.366 7.991 1.00 0.00 C ATOM 981 C PRO A 65 -11.238 9.088 6.739 1.00 0.00 C ATOM 982 O PRO A 65 -10.596 10.020 6.257 1.00 0.00 O ATOM 983 CB PRO A 65 -11.006 9.140 9.271 1.00 0.00 C ATOM 984 CG PRO A 65 -9.681 9.775 9.661 1.00 0.00 C ATOM 985 CD PRO A 65 -8.587 9.109 8.842 1.00 0.00 C ATOM 0 HA PRO A 65 -11.274 7.417 7.995 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.772 9.900 9.114 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.369 8.479 10.058 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.701 10.848 9.471 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.494 9.644 10.727 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.011 9.844 8.279 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.884 8.575 9.481 1.00 0.00 H new ATOM 993 N GLY A 66 -12.380 8.631 6.247 1.00 0.00 N ATOM 994 CA GLY A 66 -12.975 9.222 5.061 1.00 0.00 C ATOM 995 C GLY A 66 -12.084 9.006 3.836 1.00 0.00 C ATOM 996 O GLY A 66 -12.188 9.736 2.851 1.00 0.00 O ATOM 0 H GLY A 66 -12.909 7.857 6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.956 8.782 4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -13.129 10.289 5.220 1.00 0.00 H new ATOM 1000 N VAL A 67 -11.227 8.000 3.936 1.00 0.00 N ATOM 1001 CA VAL A 67 -10.319 7.679 2.849 1.00 0.00 C ATOM 1002 C VAL A 67 -10.394 6.180 2.554 1.00 0.00 C ATOM 1003 O VAL A 67 -9.966 5.362 3.367 1.00 0.00 O ATOM 1004 CB VAL A 67 -8.905 8.151 3.191 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -7.923 7.799 2.072 1.00 0.00 C ATOM 1006 CG2 VAL A 67 -8.884 9.653 3.487 1.00 0.00 C ATOM 0 H VAL A 67 -11.143 7.397 4.754 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.611 8.204 1.940 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.587 7.627 4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.925 8.146 2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.905 6.718 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.238 8.282 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.867 9.962 3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.233 10.201 2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.537 9.866 4.333 1.00 0.00 H new ATOM 1016 N SER A 68 -10.939 5.865 1.388 1.00 0.00 N ATOM 1017 CA SER A 68 -11.075 4.478 0.976 1.00 0.00 C ATOM 1018 C SER A 68 -9.733 3.949 0.468 1.00 0.00 C ATOM 1019 O SER A 68 -8.822 4.726 0.184 1.00 0.00 O ATOM 1020 CB SER A 68 -12.148 4.328 -0.105 1.00 0.00 C ATOM 1021 OG SER A 68 -11.924 5.204 -1.205 1.00 0.00 O ATOM 0 H SER A 68 -11.292 6.546 0.716 1.00 0.00 H new ATOM 0 HA SER A 68 -11.385 3.893 1.842 1.00 0.00 H new ATOM 0 HB2 SER A 68 -12.163 3.297 -0.460 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.128 4.531 0.326 1.00 0.00 H new ATOM 0 HG SER A 68 -12.678 5.146 -1.828 1.00 0.00 H new ATOM 1027 N PHE A 69 -9.651 2.630 0.369 1.00 0.00 N ATOM 1028 CA PHE A 69 -8.435 1.988 -0.100 1.00 0.00 C ATOM 1029 C PHE A 69 -8.592 1.503 -1.542 1.00 0.00 C ATOM 1030 O PHE A 69 -9.639 0.973 -1.912 1.00 0.00 O ATOM 1031 CB PHE A 69 -8.188 0.782 0.808 1.00 0.00 C ATOM 1032 CG PHE A 69 -7.066 -0.140 0.326 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -5.774 0.283 0.365 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -7.361 -1.383 -0.142 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -4.733 -0.573 -0.083 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -6.320 -2.238 -0.590 1.00 0.00 C ATOM 1037 CZ PHE A 69 -5.028 -1.815 -0.551 1.00 0.00 C ATOM 0 H PHE A 69 -10.408 1.988 0.606 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.606 2.695 -0.072 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.947 1.138 1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.109 0.205 0.888 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.540 1.270 0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.387 -1.719 -0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.707 -0.237 -0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.554 -3.225 -0.962 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.236 -2.466 -0.892 1.00 0.00 H new ATOM 1047 N LYS A 70 -7.536 1.701 -2.318 1.00 0.00 N ATOM 1048 CA LYS A 70 -7.544 1.290 -3.711 1.00 0.00 C ATOM 1049 C LYS A 70 -6.200 1.646 -4.351 1.00 0.00 C ATOM 1050 O LYS A 70 -5.395 2.360 -3.755 1.00 0.00 O ATOM 1051 CB LYS A 70 -8.749 1.889 -4.440 1.00 0.00 C ATOM 1052 CG LYS A 70 -8.794 3.408 -4.270 1.00 0.00 C ATOM 1053 CD LYS A 70 -10.080 3.989 -4.860 1.00 0.00 C ATOM 1054 CE LYS A 70 -10.923 4.668 -3.779 1.00 0.00 C ATOM 1055 NZ LYS A 70 -11.399 5.989 -4.246 1.00 0.00 N ATOM 0 H LYS A 70 -6.669 2.141 -2.008 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.659 0.209 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.698 1.640 -5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.668 1.449 -4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.729 3.661 -3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.930 3.858 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.833 4.710 -5.639 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.659 3.195 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.775 4.037 -3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.332 4.788 -2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.969 6.436 -3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.582 6.594 -4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.980 5.867 -5.100 1.00 0.00 H new ATOM 1069 N ALA A 71 -6.000 1.132 -5.555 1.00 0.00 N ATOM 1070 CA ALA A 71 -4.767 1.386 -6.282 1.00 0.00 C ATOM 1071 C ALA A 71 -4.414 2.871 -6.173 1.00 0.00 C ATOM 1072 O ALA A 71 -5.298 3.715 -6.041 1.00 0.00 O ATOM 1073 CB ALA A 71 -4.926 0.929 -7.733 1.00 0.00 C ATOM 0 H ALA A 71 -6.671 0.541 -6.046 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.943 0.818 -5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.001 1.120 -8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.148 -0.138 -7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.743 1.479 -8.200 1.00 0.00 H new ATOM 1079 N PRO A 72 -3.084 3.151 -6.236 1.00 0.00 N ATOM 1080 CA PRO A 72 -2.603 4.519 -6.147 1.00 0.00 C ATOM 1081 C PRO A 72 -2.859 5.277 -7.451 1.00 0.00 C ATOM 1082 O PRO A 72 -2.534 6.458 -7.561 1.00 0.00 O ATOM 1083 CB PRO A 72 -1.125 4.395 -5.812 1.00 0.00 C ATOM 1084 CG PRO A 72 -0.732 2.974 -6.184 1.00 0.00 C ATOM 1085 CD PRO A 72 -2.008 2.176 -6.393 1.00 0.00 C ATOM 0 HA PRO A 72 -3.124 5.099 -5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.535 5.122 -6.370 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.947 4.585 -4.754 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.127 2.970 -7.091 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.127 2.527 -5.395 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.031 1.717 -7.381 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.095 1.370 -5.665 1.00 0.00 H new ATOM 1093 N SER A 73 -3.440 4.566 -8.406 1.00 0.00 N ATOM 1094 CA SER A 73 -3.744 5.157 -9.699 1.00 0.00 C ATOM 1095 C SER A 73 -4.985 6.045 -9.589 1.00 0.00 C ATOM 1096 O SER A 73 -4.993 7.170 -10.086 1.00 0.00 O ATOM 1097 CB SER A 73 -3.957 4.077 -10.762 1.00 0.00 C ATOM 1098 OG SER A 73 -2.948 4.113 -11.768 1.00 0.00 O ATOM 0 H SER A 73 -3.708 3.587 -8.311 1.00 0.00 H new ATOM 0 HA SER A 73 -2.894 5.767 -10.005 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.961 3.096 -10.287 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.935 4.211 -11.224 1.00 0.00 H new ATOM 0 HG SER A 73 -3.118 3.408 -12.427 1.00 0.00 H new ATOM 1104 N TYR A 74 -6.003 5.506 -8.935 1.00 0.00 N ATOM 1105 CA TYR A 74 -7.247 6.236 -8.754 1.00 0.00 C ATOM 1106 C TYR A 74 -7.108 7.292 -7.655 1.00 0.00 C ATOM 1107 O TYR A 74 -7.615 8.405 -7.791 1.00 0.00 O ATOM 1108 CB TYR A 74 -8.285 5.200 -8.320 1.00 0.00 C ATOM 1109 CG TYR A 74 -8.479 4.057 -9.319 1.00 0.00 C ATOM 1110 CD1 TYR A 74 -8.568 4.329 -10.669 1.00 0.00 C ATOM 1111 CD2 TYR A 74 -8.565 2.755 -8.870 1.00 0.00 C ATOM 1112 CE1 TYR A 74 -8.750 3.254 -11.610 1.00 0.00 C ATOM 1113 CE2 TYR A 74 -8.747 1.680 -9.811 1.00 0.00 C ATOM 1114 CZ TYR A 74 -8.831 1.982 -11.134 1.00 0.00 C ATOM 1115 OH TYR A 74 -9.003 0.967 -12.022 1.00 0.00 O ATOM 0 H TYR A 74 -5.992 4.573 -8.524 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.528 6.749 -9.674 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.986 4.782 -7.359 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.241 5.701 -8.166 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.501 5.348 -11.020 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.496 2.542 -7.813 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.821 3.453 -12.669 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.815 0.656 -9.473 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.042 0.114 -11.541 1.00 0.00 H new ATOM 1125 N LEU A 75 -6.418 6.906 -6.592 1.00 0.00 N ATOM 1126 CA LEU A 75 -6.206 7.806 -5.471 1.00 0.00 C ATOM 1127 C LEU A 75 -5.454 9.047 -5.953 1.00 0.00 C ATOM 1128 O LEU A 75 -4.559 8.948 -6.792 1.00 0.00 O ATOM 1129 CB LEU A 75 -5.511 7.074 -4.321 1.00 0.00 C ATOM 1130 CG LEU A 75 -6.202 5.805 -3.818 1.00 0.00 C ATOM 1131 CD1 LEU A 75 -5.353 5.101 -2.758 1.00 0.00 C ATOM 1132 CD2 LEU A 75 -7.612 6.113 -3.310 1.00 0.00 C ATOM 0 H LEU A 75 -5.999 5.983 -6.483 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.161 8.147 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.502 6.812 -4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.411 7.765 -3.484 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.305 5.117 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.867 4.202 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.389 4.827 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.197 5.771 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.081 5.194 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.555 6.828 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.206 6.537 -4.120 1.00 0.00 H new ATOM 1144 N GLU A 76 -5.844 10.188 -5.403 1.00 0.00 N ATOM 1145 CA GLU A 76 -5.217 11.447 -5.767 1.00 0.00 C ATOM 1146 C GLU A 76 -3.929 11.650 -4.968 1.00 0.00 C ATOM 1147 O GLU A 76 -3.610 10.854 -4.086 1.00 0.00 O ATOM 1148 CB GLU A 76 -6.180 12.618 -5.561 1.00 0.00 C ATOM 1149 CG GLU A 76 -7.267 12.631 -6.638 1.00 0.00 C ATOM 1150 CD GLU A 76 -8.158 13.867 -6.504 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -9.157 13.769 -5.759 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -7.820 14.883 -7.149 1.00 0.00 O ATOM 0 H GLU A 76 -6.586 10.267 -4.708 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.962 11.410 -6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.640 12.546 -4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.627 13.557 -5.586 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.806 12.617 -7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.875 11.730 -6.557 1.00 0.00 H new ATOM 1159 N ILE A 77 -3.222 12.719 -5.306 1.00 0.00 N ATOM 1160 CA ILE A 77 -1.976 13.036 -4.631 1.00 0.00 C ATOM 1161 C ILE A 77 -2.236 13.183 -3.130 1.00 0.00 C ATOM 1162 O ILE A 77 -1.671 12.447 -2.323 1.00 0.00 O ATOM 1163 CB ILE A 77 -1.320 14.264 -5.265 1.00 0.00 C ATOM 1164 CG1 ILE A 77 -0.959 13.999 -6.728 1.00 0.00 C ATOM 1165 CG2 ILE A 77 -0.110 14.722 -4.449 1.00 0.00 C ATOM 1166 CD1 ILE A 77 0.073 15.012 -7.229 1.00 0.00 C ATOM 0 H ILE A 77 -3.489 13.376 -6.039 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.260 12.223 -4.752 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.042 15.081 -5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.563 12.989 -6.832 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.857 14.054 -7.344 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.338 15.596 -4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.429 14.979 -3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.624 13.918 -4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.313 14.802 -8.271 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.336 16.019 -7.147 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.978 14.938 -6.626 1.00 0.00 H new ATOM 1178 N SER A 78 -3.092 14.140 -2.802 1.00 0.00 N ATOM 1179 CA SER A 78 -3.435 14.393 -1.413 1.00 0.00 C ATOM 1180 C SER A 78 -3.831 13.086 -0.724 1.00 0.00 C ATOM 1181 O SER A 78 -3.412 12.821 0.402 1.00 0.00 O ATOM 1182 CB SER A 78 -4.568 15.415 -1.302 1.00 0.00 C ATOM 1183 OG SER A 78 -5.828 14.856 -1.663 1.00 0.00 O ATOM 0 H SER A 78 -3.558 14.749 -3.474 1.00 0.00 H new ATOM 0 HA SER A 78 -2.558 14.807 -0.916 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.618 15.792 -0.280 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.352 16.268 -1.946 1.00 0.00 H new ATOM 0 HG SER A 78 -6.526 15.539 -1.577 1.00 0.00 H new ATOM 1189 N SER A 79 -4.632 12.302 -1.430 1.00 0.00 N ATOM 1190 CA SER A 79 -5.089 11.028 -0.901 1.00 0.00 C ATOM 1191 C SER A 79 -3.890 10.167 -0.501 1.00 0.00 C ATOM 1192 O SER A 79 -3.764 9.769 0.656 1.00 0.00 O ATOM 1193 CB SER A 79 -5.958 10.288 -1.921 1.00 0.00 C ATOM 1194 OG SER A 79 -6.844 11.168 -2.607 1.00 0.00 O ATOM 0 H SER A 79 -4.976 12.524 -2.364 1.00 0.00 H new ATOM 0 HA SER A 79 -5.698 11.223 -0.018 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.317 9.783 -2.644 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.536 9.516 -1.413 1.00 0.00 H new ATOM 0 HG SER A 79 -7.579 10.652 -2.999 1.00 0.00 H new ATOM 1200 N MET A 80 -3.038 9.903 -1.482 1.00 0.00 N ATOM 1201 CA MET A 80 -1.853 9.096 -1.246 1.00 0.00 C ATOM 1202 C MET A 80 -1.075 9.605 -0.031 1.00 0.00 C ATOM 1203 O MET A 80 -0.800 8.845 0.897 1.00 0.00 O ATOM 1204 CB MET A 80 -0.952 9.138 -2.483 1.00 0.00 C ATOM 1205 CG MET A 80 -1.613 8.430 -3.667 1.00 0.00 C ATOM 1206 SD MET A 80 -0.500 8.405 -5.062 1.00 0.00 S ATOM 1207 CE MET A 80 -0.954 9.943 -5.847 1.00 0.00 C ATOM 0 H MET A 80 -3.145 10.234 -2.441 1.00 0.00 H new ATOM 0 HA MET A 80 -2.168 8.071 -1.049 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.739 10.174 -2.747 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.003 8.663 -2.258 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.882 7.411 -3.388 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.537 8.941 -3.937 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.090 9.780 -6.916 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.884 10.311 -5.415 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.165 10.678 -5.690 1.00 0.00 H new ATOM 1217 N ARG A 81 -0.744 10.887 -0.075 1.00 0.00 N ATOM 1218 CA ARG A 81 -0.004 11.506 1.012 1.00 0.00 C ATOM 1219 C ARG A 81 -0.511 10.992 2.360 1.00 0.00 C ATOM 1220 O ARG A 81 0.241 10.381 3.118 1.00 0.00 O ATOM 1221 CB ARG A 81 -0.138 13.030 0.971 1.00 0.00 C ATOM 1222 CG ARG A 81 0.373 13.591 -0.357 1.00 0.00 C ATOM 1223 CD ARG A 81 1.483 14.618 -0.128 1.00 0.00 C ATOM 1224 NE ARG A 81 0.925 15.987 -0.180 1.00 0.00 N ATOM 1225 CZ ARG A 81 0.831 16.719 -1.298 1.00 0.00 C ATOM 1226 NH1 ARG A 81 1.259 16.217 -2.465 1.00 0.00 N ATOM 1227 NH2 ARG A 81 0.310 17.952 -1.251 1.00 0.00 N ATOM 0 H ARG A 81 -0.974 11.514 -0.846 1.00 0.00 H new ATOM 0 HA ARG A 81 1.046 11.241 0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.182 13.310 1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.423 13.470 1.795 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.748 12.778 -0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.450 14.055 -0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.955 14.446 0.839 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.258 14.503 -0.886 1.00 0.00 H new ATOM 0 HE ARG A 81 0.591 16.400 0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.656 15.278 -2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.188 16.774 -3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.016 18.335 -0.363 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.239 18.508 -2.103 1.00 0.00 H new ATOM 1241 N ARG A 82 -1.783 11.257 2.619 1.00 0.00 N ATOM 1242 CA ARG A 82 -2.399 10.829 3.863 1.00 0.00 C ATOM 1243 C ARG A 82 -2.005 9.385 4.181 1.00 0.00 C ATOM 1244 O ARG A 82 -1.320 9.128 5.169 1.00 0.00 O ATOM 1245 CB ARG A 82 -3.924 10.929 3.785 1.00 0.00 C ATOM 1246 CG ARG A 82 -4.373 12.387 3.675 1.00 0.00 C ATOM 1247 CD ARG A 82 -5.894 12.484 3.544 1.00 0.00 C ATOM 1248 NE ARG A 82 -6.464 13.147 4.738 1.00 0.00 N ATOM 1249 CZ ARG A 82 -6.349 14.457 4.997 1.00 0.00 C ATOM 1250 NH1 ARG A 82 -5.685 15.252 4.147 1.00 0.00 N ATOM 1251 NH2 ARG A 82 -6.899 14.971 6.106 1.00 0.00 N ATOM 0 H ARG A 82 -2.404 11.763 1.988 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.043 11.489 4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.285 10.368 2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.368 10.474 4.671 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.044 12.940 4.555 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.900 12.853 2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.155 13.045 2.647 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.322 11.488 3.432 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.977 12.571 5.406 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.267 14.860 3.303 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -5.597 16.249 4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.405 14.365 6.752 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.812 15.968 6.304 1.00 0.00 H new ATOM 1265 N ILE A 83 -2.455 8.480 3.324 1.00 0.00 N ATOM 1266 CA ILE A 83 -2.158 7.069 3.501 1.00 0.00 C ATOM 1267 C ILE A 83 -0.713 6.912 3.979 1.00 0.00 C ATOM 1268 O ILE A 83 -0.459 6.283 5.005 1.00 0.00 O ATOM 1269 CB ILE A 83 -2.470 6.291 2.221 1.00 0.00 C ATOM 1270 CG1 ILE A 83 -3.954 6.393 1.865 1.00 0.00 C ATOM 1271 CG2 ILE A 83 -2.006 4.838 2.336 1.00 0.00 C ATOM 1272 CD1 ILE A 83 -4.145 6.609 0.363 1.00 0.00 C ATOM 0 H ILE A 83 -3.023 8.697 2.505 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.798 6.639 4.272 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.911 6.743 1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.469 5.483 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.408 7.218 2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.240 4.307 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.930 4.812 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.517 4.358 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.209 6.678 0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.650 7.532 0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.712 5.771 -0.183 1.00 0.00 H new ATOM 1284 N LEU A 84 0.197 7.496 3.212 1.00 0.00 N ATOM 1285 CA LEU A 84 1.610 7.429 3.545 1.00 0.00 C ATOM 1286 C LEU A 84 1.809 7.870 4.996 1.00 0.00 C ATOM 1287 O LEU A 84 2.452 7.171 5.778 1.00 0.00 O ATOM 1288 CB LEU A 84 2.436 8.233 2.539 1.00 0.00 C ATOM 1289 CG LEU A 84 2.605 7.604 1.154 1.00 0.00 C ATOM 1290 CD1 LEU A 84 3.203 8.607 0.166 1.00 0.00 C ATOM 1291 CD2 LEU A 84 3.428 6.317 1.234 1.00 0.00 C ATOM 0 H LEU A 84 -0.017 8.017 2.362 1.00 0.00 H new ATOM 0 HA LEU A 84 1.971 6.403 3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.972 9.212 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.426 8.400 2.963 1.00 0.00 H new ATOM 0 HG LEU A 84 1.618 7.332 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.313 8.135 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.543 9.470 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.180 8.932 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.533 5.890 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.415 6.541 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.923 5.602 1.883 1.00 0.00 H new ATOM 1303 N ASP A 85 1.246 9.027 5.312 1.00 0.00 N ATOM 1304 CA ASP A 85 1.354 9.569 6.656 1.00 0.00 C ATOM 1305 C ASP A 85 0.857 8.529 7.663 1.00 0.00 C ATOM 1306 O ASP A 85 1.183 8.601 8.847 1.00 0.00 O ATOM 1307 CB ASP A 85 0.496 10.826 6.813 1.00 0.00 C ATOM 1308 CG ASP A 85 1.271 12.098 7.165 1.00 0.00 C ATOM 1309 OD1 ASP A 85 2.472 11.961 7.482 1.00 0.00 O ATOM 1310 OD2 ASP A 85 0.644 13.178 7.108 1.00 0.00 O ATOM 0 H ASP A 85 0.714 9.604 4.661 1.00 0.00 H new ATOM 0 HA ASP A 85 2.399 9.820 6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.047 10.995 5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.248 10.645 7.589 1.00 0.00 H new ATOM 1315 N SER A 86 0.076 7.587 7.155 1.00 0.00 N ATOM 1316 CA SER A 86 -0.469 6.533 7.995 1.00 0.00 C ATOM 1317 C SER A 86 0.205 5.200 7.665 1.00 0.00 C ATOM 1318 O SER A 86 -0.273 4.142 8.070 1.00 0.00 O ATOM 1319 CB SER A 86 -1.984 6.419 7.821 1.00 0.00 C ATOM 1320 OG SER A 86 -2.691 7.223 8.762 1.00 0.00 O ATOM 0 H SER A 86 -0.193 7.531 6.173 1.00 0.00 H new ATOM 0 HA SER A 86 -0.268 6.786 9.036 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.257 6.720 6.810 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.285 5.378 7.935 1.00 0.00 H new ATOM 0 HG SER A 86 -3.655 7.124 8.618 1.00 0.00 H new ATOM 1326 N ALA A 87 1.305 5.294 6.932 1.00 0.00 N ATOM 1327 CA ALA A 87 2.049 4.109 6.542 1.00 0.00 C ATOM 1328 C ALA A 87 2.238 3.207 7.764 1.00 0.00 C ATOM 1329 O ALA A 87 2.092 1.989 7.669 1.00 0.00 O ATOM 1330 CB ALA A 87 3.380 4.524 5.913 1.00 0.00 C ATOM 0 H ALA A 87 1.699 6.174 6.598 1.00 0.00 H new ATOM 0 HA ALA A 87 1.499 3.540 5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.937 3.634 5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.191 5.139 5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.962 5.095 6.636 1.00 0.00 H new ATOM 1336 N GLU A 88 2.560 3.839 8.883 1.00 0.00 N ATOM 1337 CA GLU A 88 2.770 3.109 10.121 1.00 0.00 C ATOM 1338 C GLU A 88 1.473 2.430 10.564 1.00 0.00 C ATOM 1339 O GLU A 88 1.505 1.384 11.210 1.00 0.00 O ATOM 1340 CB GLU A 88 3.308 4.032 11.217 1.00 0.00 C ATOM 1341 CG GLU A 88 2.267 5.083 11.609 1.00 0.00 C ATOM 1342 CD GLU A 88 2.830 6.049 12.653 1.00 0.00 C ATOM 1343 OE1 GLU A 88 3.251 5.549 13.719 1.00 0.00 O ATOM 1344 OE2 GLU A 88 2.826 7.264 12.363 1.00 0.00 O ATOM 0 H GLU A 88 2.681 4.849 8.958 1.00 0.00 H new ATOM 0 HA GLU A 88 3.518 2.337 9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.582 3.442 12.092 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.215 4.526 10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 88 1.955 5.639 10.725 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.379 4.590 12.005 1.00 0.00 H new ATOM 1351 N PHE A 89 0.362 3.054 10.200 1.00 0.00 N ATOM 1352 CA PHE A 89 -0.944 2.523 10.552 1.00 0.00 C ATOM 1353 C PHE A 89 -1.399 1.471 9.538 1.00 0.00 C ATOM 1354 O PHE A 89 -1.961 0.443 9.914 1.00 0.00 O ATOM 1355 CB PHE A 89 -1.925 3.696 10.527 1.00 0.00 C ATOM 1356 CG PHE A 89 -2.041 4.439 11.860 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.440 3.773 12.977 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -1.745 5.764 11.927 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -2.547 4.462 14.214 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -1.853 6.453 13.164 1.00 0.00 C ATOM 1361 CZ PHE A 89 -2.251 5.788 14.281 1.00 0.00 C ATOM 0 H PHE A 89 0.339 3.922 9.665 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.901 2.049 11.533 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.613 4.401 9.756 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.910 3.327 10.242 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.675 2.720 12.923 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.428 6.292 11.040 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.863 3.934 15.101 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.619 7.506 13.217 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.332 6.313 15.222 1.00 0.00 H new ATOM 1371 N ILE A 90 -1.141 1.764 8.272 1.00 0.00 N ATOM 1372 CA ILE A 90 -1.517 0.857 7.201 1.00 0.00 C ATOM 1373 C ILE A 90 -1.249 -0.583 7.642 1.00 0.00 C ATOM 1374 O ILE A 90 -0.262 -0.854 8.325 1.00 0.00 O ATOM 1375 CB ILE A 90 -0.814 1.244 5.899 1.00 0.00 C ATOM 1376 CG1 ILE A 90 -1.116 2.695 5.522 1.00 0.00 C ATOM 1377 CG2 ILE A 90 -1.173 0.272 4.773 1.00 0.00 C ATOM 1378 CD1 ILE A 90 -2.561 3.061 5.866 1.00 0.00 C ATOM 0 H ILE A 90 -0.676 2.618 7.964 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.584 0.934 6.993 1.00 0.00 H new ATOM 0 HB ILE A 90 0.262 1.171 6.057 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.433 3.361 6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.944 2.841 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.660 0.569 3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.865 -0.736 5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.250 0.289 4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.750 4.098 5.588 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.242 2.409 5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.723 2.937 6.937 1.00 0.00 H new ATOM 1390 N LYS A 91 -2.143 -1.470 7.232 1.00 0.00 N ATOM 1391 CA LYS A 91 -2.015 -2.876 7.575 1.00 0.00 C ATOM 1392 C LYS A 91 -2.828 -3.715 6.586 1.00 0.00 C ATOM 1393 O LYS A 91 -3.751 -3.209 5.951 1.00 0.00 O ATOM 1394 CB LYS A 91 -2.398 -3.108 9.038 1.00 0.00 C ATOM 1395 CG LYS A 91 -1.703 -4.351 9.597 1.00 0.00 C ATOM 1396 CD LYS A 91 -2.190 -4.660 11.014 1.00 0.00 C ATOM 1397 CE LYS A 91 -2.820 -6.053 11.085 1.00 0.00 C ATOM 1398 NZ LYS A 91 -3.105 -6.421 12.490 1.00 0.00 N ATOM 0 H LYS A 91 -2.960 -1.242 6.665 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.977 -3.196 7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.124 -2.236 9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.479 -3.223 9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.898 -5.204 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.624 -4.196 9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.354 -4.599 11.711 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.919 -3.911 11.323 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.742 -6.072 10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.147 -6.786 10.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.532 -7.369 12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.219 -6.423 13.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.764 -5.731 12.903 1.00 0.00 H new ATOM 1412 N PHE A 92 -2.455 -4.982 6.488 1.00 0.00 N ATOM 1413 CA PHE A 92 -3.138 -5.895 5.587 1.00 0.00 C ATOM 1414 C PHE A 92 -3.294 -7.278 6.223 1.00 0.00 C ATOM 1415 O PHE A 92 -2.304 -7.917 6.579 1.00 0.00 O ATOM 1416 CB PHE A 92 -2.270 -6.019 4.333 1.00 0.00 C ATOM 1417 CG PHE A 92 -2.340 -4.804 3.406 1.00 0.00 C ATOM 1418 CD1 PHE A 92 -1.783 -3.623 3.789 1.00 0.00 C ATOM 1419 CD2 PHE A 92 -2.959 -4.903 2.199 1.00 0.00 C ATOM 1420 CE1 PHE A 92 -1.848 -2.495 2.929 1.00 0.00 C ATOM 1421 CE2 PHE A 92 -3.024 -3.775 1.339 1.00 0.00 C ATOM 1422 CZ PHE A 92 -2.467 -2.595 1.722 1.00 0.00 C ATOM 0 H PHE A 92 -1.689 -5.398 7.017 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.134 -5.515 5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.234 -6.174 4.634 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.576 -6.905 3.777 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.291 -3.544 4.747 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.401 -5.840 1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.406 -1.558 3.233 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.516 -3.854 0.381 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.516 -1.737 1.068 1.00 0.00 H new ATOM 1432 N THR A 93 -4.543 -7.700 6.347 1.00 0.00 N ATOM 1433 CA THR A 93 -4.842 -8.995 6.934 1.00 0.00 C ATOM 1434 C THR A 93 -5.241 -9.994 5.846 1.00 0.00 C ATOM 1435 O THR A 93 -5.993 -9.656 4.934 1.00 0.00 O ATOM 1436 CB THR A 93 -5.920 -8.794 8.000 1.00 0.00 C ATOM 1437 OG1 THR A 93 -5.358 -7.831 8.886 1.00 0.00 O ATOM 1438 CG2 THR A 93 -6.117 -10.034 8.875 1.00 0.00 C ATOM 0 H THR A 93 -5.361 -7.167 6.051 1.00 0.00 H new ATOM 0 HA THR A 93 -3.964 -9.423 7.417 1.00 0.00 H new ATOM 0 HB THR A 93 -6.863 -8.536 7.517 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.993 -7.641 9.608 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.893 -9.838 9.615 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.416 -10.876 8.251 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.183 -10.273 9.384 1.00 0.00 H new ATOM 1446 N VAL A 94 -4.719 -11.205 5.979 1.00 0.00 N ATOM 1447 CA VAL A 94 -5.012 -12.256 5.019 1.00 0.00 C ATOM 1448 C VAL A 94 -5.954 -13.277 5.659 1.00 0.00 C ATOM 1449 O VAL A 94 -5.507 -14.294 6.187 1.00 0.00 O ATOM 1450 CB VAL A 94 -3.710 -12.879 4.512 1.00 0.00 C ATOM 1451 CG1 VAL A 94 -3.990 -14.126 3.672 1.00 0.00 C ATOM 1452 CG2 VAL A 94 -2.885 -11.860 3.723 1.00 0.00 C ATOM 0 H VAL A 94 -4.095 -11.482 6.737 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.521 -11.846 4.147 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.125 -13.184 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.048 -14.549 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.517 -14.863 4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.605 -13.856 2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.965 -12.329 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.461 -11.510 2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.640 -11.014 4.366 1.00 0.00 H new ATOM 1462 N ILE A 95 -7.242 -12.971 5.590 1.00 0.00 N ATOM 1463 CA ILE A 95 -8.251 -13.850 6.156 1.00 0.00 C ATOM 1464 C ILE A 95 -8.319 -15.138 5.333 1.00 0.00 C ATOM 1465 O ILE A 95 -8.173 -16.233 5.875 1.00 0.00 O ATOM 1466 CB ILE A 95 -9.592 -13.122 6.269 1.00 0.00 C ATOM 1467 CG1 ILE A 95 -9.562 -12.090 7.399 1.00 0.00 C ATOM 1468 CG2 ILE A 95 -10.744 -14.116 6.432 1.00 0.00 C ATOM 1469 CD1 ILE A 95 -8.551 -10.981 7.101 1.00 0.00 C ATOM 0 H ILE A 95 -7.609 -12.127 5.151 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.981 -14.135 7.173 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.765 -12.578 5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.554 -11.658 7.528 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.303 -12.580 8.338 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.685 -13.572 6.510 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -10.778 -14.778 5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.590 -14.706 7.335 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.549 -10.261 7.919 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.556 -11.414 6.997 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.826 -10.477 6.175 1.00 0.00 H new ATOM 1481 N ARG A 96 -8.539 -14.965 4.038 1.00 0.00 N ATOM 1482 CA ARG A 96 -8.627 -16.100 3.136 1.00 0.00 C ATOM 1483 C ARG A 96 -7.799 -15.842 1.876 1.00 0.00 C ATOM 1484 O ARG A 96 -7.885 -14.769 1.281 1.00 0.00 O ATOM 1485 CB ARG A 96 -10.078 -16.375 2.736 1.00 0.00 C ATOM 1486 CG ARG A 96 -10.942 -16.658 3.968 1.00 0.00 C ATOM 1487 CD ARG A 96 -11.389 -18.121 3.999 1.00 0.00 C ATOM 1488 NE ARG A 96 -10.853 -18.788 5.206 1.00 0.00 N ATOM 1489 CZ ARG A 96 -11.421 -18.720 6.417 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -12.547 -18.014 6.591 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -10.864 -19.359 7.455 1.00 0.00 N ATOM 0 H ARG A 96 -8.659 -14.056 3.592 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.235 -16.971 3.661 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.479 -15.518 2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.117 -17.227 2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.379 -16.427 4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.816 -16.007 3.961 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.478 -18.177 3.995 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.040 -18.636 3.104 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.997 -19.334 5.110 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.972 -17.528 5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.979 -17.963 7.513 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.008 -19.897 7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.296 -19.307 8.377 1.00 0.00 H new