USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 663 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 90 THR OG1 : rot 180:sc= -0.0464 USER MOD Set 1.2: A 93 GLN : amide:sc= -0.0517 K(o=-0.098,f=-3!) USER MOD Set 2.1: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= -1.05 (180deg=-3.76!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 30:sc= -4.02! USER MOD Single : A 53 SER OG : rot 180:sc= -4.72! USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.75! USER MOD Single : A 59 GLN : amide:sc= -1.87 K(o=-1.9,f=-4.4!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-0.78) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 82 ASN : amide:sc= -1.32! C(o=-1.3!,f=-5.6!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0864 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -159:sc= -9.88! (180deg=-11.9!) USER MOD Single : A 95 TYR OH : rot 180:sc= -1.73! USER MOD Single : A 96 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.7!) USER MOD Single : A 98 HIS : no HD1:sc= -12.3! C(o=-12!,f=-12!) USER MOD Single : A 99 HIS : no HD1:sc= -2.29 K(o=-2.3,f=-4!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 35:sc= -8.03! USER MOD Single : A 110 SER OG : rot 180:sc= -0.0747 USER MOD ----------------------------------------------------------------- ATOM 177 N ARG A 28 3.191 14.662 0.810 1.00 0.00 N ATOM 178 CA ARG A 28 3.387 13.217 1.121 1.00 0.00 C ATOM 179 C ARG A 28 2.094 12.438 0.865 1.00 0.00 C ATOM 180 O ARG A 28 1.132 12.966 0.346 1.00 0.00 O ATOM 181 CB ARG A 28 3.760 13.180 2.601 1.00 0.00 C ATOM 182 CG ARG A 28 5.273 13.345 2.748 1.00 0.00 C ATOM 183 CD ARG A 28 5.659 14.795 2.448 1.00 0.00 C ATOM 184 NE ARG A 28 6.458 15.232 3.626 1.00 0.00 N ATOM 185 CZ ARG A 28 6.900 16.457 3.698 1.00 0.00 C ATOM 186 NH1 ARG A 28 6.069 17.458 3.591 1.00 0.00 N ATOM 187 NH2 ARG A 28 8.173 16.683 3.875 1.00 0.00 N ATOM 0 HA ARG A 28 4.155 12.759 0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.243 13.975 3.138 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.441 12.237 3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.583 13.076 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.791 12.671 2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.240 14.867 1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.775 15.420 2.317 1.00 0.00 H new ATOM 0 HE ARG A 28 6.660 14.573 4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.074 17.282 3.451 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.415 18.416 3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.823 15.901 3.957 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.518 17.641 3.931 1.00 0.00 H new ATOM 199 N VAL A 29 2.064 11.183 1.224 1.00 0.00 N ATOM 200 CA VAL A 29 0.834 10.374 0.996 1.00 0.00 C ATOM 201 C VAL A 29 0.666 9.328 2.104 1.00 0.00 C ATOM 202 O VAL A 29 1.400 8.357 2.160 1.00 0.00 O ATOM 203 CB VAL A 29 1.048 9.692 -0.357 1.00 0.00 C ATOM 204 CG1 VAL A 29 0.055 8.538 -0.516 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.822 10.707 -1.480 1.00 0.00 C ATOM 0 H VAL A 29 2.837 10.684 1.665 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.066 10.989 1.005 1.00 0.00 H new ATOM 0 HB VAL A 29 2.066 9.306 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.210 8.055 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.210 7.812 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.963 8.924 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.974 10.222 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.196 11.091 -1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.527 11.531 -1.373 1.00 0.00 H new ATOM 215 N PRO A 30 -0.307 9.567 2.944 1.00 0.00 N ATOM 216 CA PRO A 30 -0.604 8.639 4.059 1.00 0.00 C ATOM 217 C PRO A 30 -1.394 7.431 3.543 1.00 0.00 C ATOM 218 O PRO A 30 -2.606 7.380 3.633 1.00 0.00 O ATOM 219 CB PRO A 30 -1.459 9.477 5.003 1.00 0.00 C ATOM 220 CG PRO A 30 -2.093 10.524 4.139 1.00 0.00 C ATOM 221 CD PRO A 30 -1.208 10.723 2.933 1.00 0.00 C ATOM 0 HA PRO A 30 0.290 8.242 4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.214 8.865 5.497 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.851 9.929 5.787 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.092 10.213 3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.204 11.458 4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.793 10.762 2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.653 11.659 2.998 1.00 0.00 H new ATOM 229 N VAL A 31 -0.718 6.468 2.984 1.00 0.00 N ATOM 230 CA VAL A 31 -1.422 5.274 2.447 1.00 0.00 C ATOM 231 C VAL A 31 -1.829 4.319 3.575 1.00 0.00 C ATOM 232 O VAL A 31 -1.095 4.104 4.519 1.00 0.00 O ATOM 233 CB VAL A 31 -0.411 4.606 1.506 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.368 5.670 0.729 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.571 3.737 2.299 1.00 0.00 C ATOM 0 H VAL A 31 0.296 6.457 2.876 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.344 5.545 1.933 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.961 3.975 0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.083 5.185 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.325 6.271 0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.902 6.313 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.280 3.272 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.111 4.358 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.021 2.962 2.834 1.00 0.00 H new ATOM 245 N ILE A 32 -2.988 3.729 3.469 1.00 0.00 N ATOM 246 CA ILE A 32 -3.438 2.765 4.514 1.00 0.00 C ATOM 247 C ILE A 32 -3.132 1.349 4.036 1.00 0.00 C ATOM 248 O ILE A 32 -3.011 1.103 2.852 1.00 0.00 O ATOM 249 CB ILE A 32 -4.946 2.974 4.648 1.00 0.00 C ATOM 250 CG1 ILE A 32 -5.224 4.405 5.111 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.508 1.990 5.675 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.609 4.624 6.495 1.00 0.00 C ATOM 0 H ILE A 32 -3.645 3.873 2.702 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.938 2.915 5.471 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.422 2.805 3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.805 5.116 4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.299 4.584 5.147 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.584 2.139 5.771 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.311 0.969 5.347 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.031 2.159 6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.808 5.644 6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.048 3.922 7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.532 4.462 6.444 1.00 0.00 H new ATOM 264 N VAL A 33 -2.988 0.417 4.930 1.00 0.00 N ATOM 265 CA VAL A 33 -2.668 -0.963 4.488 1.00 0.00 C ATOM 266 C VAL A 33 -3.545 -1.993 5.203 1.00 0.00 C ATOM 267 O VAL A 33 -3.839 -1.885 6.377 1.00 0.00 O ATOM 268 CB VAL A 33 -1.186 -1.135 4.840 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.851 -2.613 5.061 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.345 -0.591 3.685 1.00 0.00 C ATOM 0 H VAL A 33 -3.077 0.548 5.938 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.858 -1.117 3.426 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.969 -0.591 5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.205 -2.713 5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.455 -3.005 5.879 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.065 -3.174 4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.713 -0.706 3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.577 -1.143 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.571 0.465 3.536 1.00 0.00 H new ATOM 280 N GLU A 34 -3.947 -2.998 4.482 1.00 0.00 N ATOM 281 CA GLU A 34 -4.791 -4.074 5.064 1.00 0.00 C ATOM 282 C GLU A 34 -4.620 -5.340 4.223 1.00 0.00 C ATOM 283 O GLU A 34 -3.880 -5.353 3.260 1.00 0.00 O ATOM 284 CB GLU A 34 -6.226 -3.551 4.978 1.00 0.00 C ATOM 285 CG GLU A 34 -6.767 -3.311 6.389 1.00 0.00 C ATOM 286 CD GLU A 34 -7.973 -4.220 6.635 1.00 0.00 C ATOM 287 OE1 GLU A 34 -8.893 -4.181 5.834 1.00 0.00 O ATOM 288 OE2 GLU A 34 -7.958 -4.938 7.621 1.00 0.00 O ATOM 0 H GLU A 34 -3.722 -3.121 3.495 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.525 -4.319 6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.253 -2.625 4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.855 -4.270 4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.990 -3.512 7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.056 -2.266 6.506 1.00 0.00 H new ATOM 295 N LYS A 35 -5.293 -6.401 4.562 1.00 0.00 N ATOM 296 CA LYS A 35 -5.147 -7.643 3.752 1.00 0.00 C ATOM 297 C LYS A 35 -6.472 -7.999 3.086 1.00 0.00 C ATOM 298 O LYS A 35 -7.529 -7.571 3.505 1.00 0.00 O ATOM 299 CB LYS A 35 -4.745 -8.734 4.742 1.00 0.00 C ATOM 300 CG LYS A 35 -3.549 -9.513 4.189 1.00 0.00 C ATOM 301 CD LYS A 35 -2.338 -8.583 4.071 1.00 0.00 C ATOM 302 CE LYS A 35 -1.985 -8.026 5.451 1.00 0.00 C ATOM 303 NZ LYS A 35 -1.934 -9.217 6.345 1.00 0.00 N ATOM 0 H LYS A 35 -5.931 -6.465 5.355 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.409 -7.523 2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.489 -8.290 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.583 -9.409 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.314 -10.351 4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.795 -9.931 3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.488 -9.126 3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.559 -7.767 3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.028 -7.504 5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.733 -7.309 5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.238 -9.054 7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.872 -9.375 6.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.657 -10.054 5.793 1.00 0.00 H new ATOM 317 N ALA A 36 -6.419 -8.789 2.055 1.00 0.00 N ATOM 318 CA ALA A 36 -7.674 -9.190 1.359 1.00 0.00 C ATOM 319 C ALA A 36 -8.573 -9.953 2.338 1.00 0.00 C ATOM 320 O ALA A 36 -8.252 -10.063 3.505 1.00 0.00 O ATOM 321 CB ALA A 36 -7.221 -10.098 0.212 1.00 0.00 C ATOM 0 H ALA A 36 -5.561 -9.176 1.662 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.245 -8.339 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.092 -10.436 -0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.555 -9.544 -0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.694 -10.961 0.618 1.00 0.00 H new ATOM 327 N PRO A 37 -9.669 -10.459 1.841 1.00 0.00 N ATOM 328 CA PRO A 37 -10.602 -11.217 2.707 1.00 0.00 C ATOM 329 C PRO A 37 -9.980 -12.563 3.088 1.00 0.00 C ATOM 330 O PRO A 37 -9.847 -13.451 2.271 1.00 0.00 O ATOM 331 CB PRO A 37 -11.841 -11.398 1.835 1.00 0.00 C ATOM 332 CG PRO A 37 -11.342 -11.297 0.430 1.00 0.00 C ATOM 333 CD PRO A 37 -10.143 -10.385 0.452 1.00 0.00 C ATOM 0 HA PRO A 37 -10.834 -10.714 3.646 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.315 -12.363 2.017 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.587 -10.632 2.045 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.071 -12.280 0.045 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.116 -10.900 -0.226 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.377 -10.715 -0.250 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.411 -9.365 0.175 1.00 0.00 H new ATOM 341 N LYS A 38 -9.588 -12.713 4.324 1.00 0.00 N ATOM 342 CA LYS A 38 -8.963 -13.991 4.760 1.00 0.00 C ATOM 343 C LYS A 38 -7.650 -14.216 4.006 1.00 0.00 C ATOM 344 O LYS A 38 -7.317 -15.323 3.630 1.00 0.00 O ATOM 345 CB LYS A 38 -9.987 -15.066 4.404 1.00 0.00 C ATOM 346 CG LYS A 38 -10.532 -15.691 5.690 1.00 0.00 C ATOM 347 CD LYS A 38 -12.049 -15.855 5.578 1.00 0.00 C ATOM 348 CE LYS A 38 -12.700 -15.491 6.915 1.00 0.00 C ATOM 349 NZ LYS A 38 -14.016 -16.188 6.904 1.00 0.00 N ATOM 0 H LYS A 38 -9.675 -12.003 5.051 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.720 -13.999 5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.801 -14.631 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.525 -15.832 3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.063 -16.660 5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.286 -15.061 6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.437 -15.215 4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.296 -16.882 5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.087 -15.818 7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.825 -14.413 7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.523 -15.987 7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.580 -15.852 6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.865 -17.213 6.817 1.00 0.00 H new ATOM 363 N ALA A 39 -6.898 -13.169 3.784 1.00 0.00 N ATOM 364 CA ALA A 39 -5.604 -13.317 3.058 1.00 0.00 C ATOM 365 C ALA A 39 -4.715 -14.337 3.770 1.00 0.00 C ATOM 366 O ALA A 39 -5.085 -14.894 4.785 1.00 0.00 O ATOM 367 CB ALA A 39 -4.967 -11.928 3.102 1.00 0.00 C ATOM 0 H ALA A 39 -7.125 -12.218 4.075 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.740 -13.672 2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.007 -11.952 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.625 -11.210 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.815 -11.630 4.139 1.00 0.00 H new ATOM 373 N ARG A 40 -3.546 -14.592 3.247 1.00 0.00 N ATOM 374 CA ARG A 40 -2.644 -15.581 3.901 1.00 0.00 C ATOM 375 C ARG A 40 -1.177 -15.225 3.644 1.00 0.00 C ATOM 376 O ARG A 40 -0.330 -16.093 3.556 1.00 0.00 O ATOM 377 CB ARG A 40 -2.992 -16.921 3.253 1.00 0.00 C ATOM 378 CG ARG A 40 -2.752 -16.835 1.744 1.00 0.00 C ATOM 379 CD ARG A 40 -2.230 -18.180 1.234 1.00 0.00 C ATOM 380 NE ARG A 40 -0.750 -18.025 1.193 1.00 0.00 N ATOM 381 CZ ARG A 40 0.020 -19.038 1.484 1.00 0.00 C ATOM 382 NH1 ARG A 40 -0.432 -20.256 1.372 1.00 0.00 N ATOM 383 NH2 ARG A 40 1.244 -18.831 1.889 1.00 0.00 N ATOM 0 H ARG A 40 -3.179 -14.160 2.399 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.775 -15.602 4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.382 -17.715 3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.033 -17.174 3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.678 -16.574 1.232 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.033 -16.046 1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.524 -18.995 1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.631 -18.411 0.247 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.338 -17.128 0.938 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.388 -20.418 1.057 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.171 -21.047 1.600 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.598 -17.878 1.978 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.846 -19.622 2.117 1.00 0.00 H new ATOM 395 N ILE A 41 -0.861 -13.963 3.531 1.00 0.00 N ATOM 396 CA ILE A 41 0.560 -13.585 3.286 1.00 0.00 C ATOM 397 C ILE A 41 1.317 -13.479 4.616 1.00 0.00 C ATOM 398 O ILE A 41 0.757 -13.656 5.679 1.00 0.00 O ATOM 399 CB ILE A 41 0.541 -12.252 2.508 1.00 0.00 C ATOM 400 CG1 ILE A 41 -0.158 -11.125 3.290 1.00 0.00 C ATOM 401 CG2 ILE A 41 -0.193 -12.459 1.184 1.00 0.00 C ATOM 402 CD1 ILE A 41 0.656 -10.753 4.520 1.00 0.00 C ATOM 0 H ILE A 41 -1.517 -13.185 3.597 1.00 0.00 H new ATOM 0 HA ILE A 41 1.085 -14.340 2.700 1.00 0.00 H new ATOM 0 HB ILE A 41 1.576 -11.952 2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.282 -10.252 2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.156 -11.445 3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.211 -11.522 0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.322 -13.219 0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.215 -12.784 1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.150 -9.955 5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.757 -11.625 5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.645 -10.412 4.213 1.00 0.00 H new ATOM 414 N GLY A 42 2.596 -13.225 4.557 1.00 0.00 N ATOM 415 CA GLY A 42 3.416 -13.144 5.808 1.00 0.00 C ATOM 416 C GLY A 42 2.762 -12.219 6.832 1.00 0.00 C ATOM 417 O GLY A 42 1.675 -11.723 6.640 1.00 0.00 O ATOM 0 H GLY A 42 3.114 -13.069 3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.534 -14.140 6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.415 -12.780 5.569 1.00 0.00 H new ATOM 421 N ASP A 43 3.426 -11.988 7.927 1.00 0.00 N ATOM 422 CA ASP A 43 2.855 -11.094 8.976 1.00 0.00 C ATOM 423 C ASP A 43 3.008 -9.631 8.553 1.00 0.00 C ATOM 424 O ASP A 43 3.457 -9.336 7.463 1.00 0.00 O ATOM 425 CB ASP A 43 3.678 -11.380 10.234 1.00 0.00 C ATOM 426 CG ASP A 43 2.760 -11.380 11.457 1.00 0.00 C ATOM 427 OD1 ASP A 43 1.786 -10.645 11.443 1.00 0.00 O ATOM 428 OD2 ASP A 43 3.046 -12.115 12.388 1.00 0.00 O ATOM 0 H ASP A 43 4.342 -12.380 8.144 1.00 0.00 H new ATOM 0 HA ASP A 43 1.792 -11.271 9.140 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.179 -12.344 10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.457 -10.626 10.351 1.00 0.00 H new ATOM 433 N LEU A 44 2.639 -8.710 9.401 1.00 0.00 N ATOM 434 CA LEU A 44 2.767 -7.270 9.037 1.00 0.00 C ATOM 435 C LEU A 44 3.317 -6.466 10.217 1.00 0.00 C ATOM 436 O LEU A 44 2.892 -6.626 11.344 1.00 0.00 O ATOM 437 CB LEU A 44 1.346 -6.815 8.706 1.00 0.00 C ATOM 438 CG LEU A 44 1.196 -6.647 7.194 1.00 0.00 C ATOM 439 CD1 LEU A 44 2.206 -5.615 6.690 1.00 0.00 C ATOM 440 CD2 LEU A 44 1.452 -7.989 6.503 1.00 0.00 C ATOM 0 H LEU A 44 2.255 -8.892 10.328 1.00 0.00 H new ATOM 0 HA LEU A 44 3.452 -7.121 8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.625 -7.546 9.073 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.129 -5.873 9.209 1.00 0.00 H new ATOM 0 HG LEU A 44 0.186 -6.307 6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.098 -5.496 5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.024 -4.659 7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.217 -5.954 6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.345 -7.869 5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.462 -8.329 6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.732 -8.725 6.860 1.00 0.00 H new ATOM 452 N ASP A 45 4.253 -5.594 9.964 1.00 0.00 N ATOM 453 CA ASP A 45 4.823 -4.768 11.067 1.00 0.00 C ATOM 454 C ASP A 45 3.964 -3.520 11.274 1.00 0.00 C ATOM 455 O ASP A 45 3.794 -3.043 12.378 1.00 0.00 O ATOM 456 CB ASP A 45 6.227 -4.385 10.594 1.00 0.00 C ATOM 457 CG ASP A 45 7.230 -4.634 11.721 1.00 0.00 C ATOM 458 OD1 ASP A 45 6.969 -5.501 12.539 1.00 0.00 O ATOM 459 OD2 ASP A 45 8.243 -3.954 11.747 1.00 0.00 O ATOM 0 H ASP A 45 4.649 -5.417 9.041 1.00 0.00 H new ATOM 0 HA ASP A 45 4.851 -5.301 12.017 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.499 -4.970 9.715 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.249 -3.336 10.298 1.00 0.00 H new ATOM 464 N LYS A 46 3.421 -2.991 10.213 1.00 0.00 N ATOM 465 CA LYS A 46 2.567 -1.776 10.329 1.00 0.00 C ATOM 466 C LYS A 46 1.570 -1.732 9.169 1.00 0.00 C ATOM 467 O LYS A 46 1.767 -2.363 8.149 1.00 0.00 O ATOM 468 CB LYS A 46 3.538 -0.598 10.249 1.00 0.00 C ATOM 469 CG LYS A 46 4.120 -0.319 11.636 1.00 0.00 C ATOM 470 CD LYS A 46 5.459 -1.043 11.783 1.00 0.00 C ATOM 471 CE LYS A 46 6.588 -0.015 11.884 1.00 0.00 C ATOM 472 NZ LYS A 46 7.503 -0.339 10.754 1.00 0.00 N ATOM 0 H LYS A 46 3.533 -3.350 9.265 1.00 0.00 H new ATOM 0 HA LYS A 46 1.988 -1.759 11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.340 -0.821 9.545 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.023 0.287 9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.257 0.753 11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.427 -0.655 12.407 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.447 -1.674 12.672 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.626 -1.699 10.928 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.205 1.002 11.803 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.103 -0.086 12.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.305 0.324 10.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.857 -1.311 10.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.987 -0.256 9.855 1.00 0.00 H new ATOM 486 N LYS A 47 0.504 -0.992 9.308 1.00 0.00 N ATOM 487 CA LYS A 47 -0.489 -0.919 8.199 1.00 0.00 C ATOM 488 C LYS A 47 -0.705 0.538 7.783 1.00 0.00 C ATOM 489 O LYS A 47 -1.807 0.958 7.497 1.00 0.00 O ATOM 490 CB LYS A 47 -1.774 -1.538 8.760 1.00 0.00 C ATOM 491 CG LYS A 47 -2.386 -0.620 9.822 1.00 0.00 C ATOM 492 CD LYS A 47 -1.696 -0.859 11.168 1.00 0.00 C ATOM 493 CE LYS A 47 -2.729 -1.325 12.195 1.00 0.00 C ATOM 494 NZ LYS A 47 -2.694 -0.295 13.270 1.00 0.00 N ATOM 0 H LYS A 47 0.279 -0.439 10.135 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.156 -1.450 7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.490 -1.701 7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.556 -2.514 9.195 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.273 0.423 9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.455 -0.812 9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.912 -1.609 11.059 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.215 0.057 11.510 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.722 -1.399 11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.480 -2.312 12.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.377 -0.545 14.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.739 -0.252 13.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.942 0.633 12.870 1.00 0.00 H new ATOM 508 N LYS A 48 0.352 1.306 7.740 1.00 0.00 N ATOM 509 CA LYS A 48 0.235 2.739 7.333 1.00 0.00 C ATOM 510 C LYS A 48 1.596 3.252 6.858 1.00 0.00 C ATOM 511 O LYS A 48 2.485 3.485 7.653 1.00 0.00 O ATOM 512 CB LYS A 48 -0.189 3.496 8.595 1.00 0.00 C ATOM 513 CG LYS A 48 -1.483 2.902 9.150 1.00 0.00 C ATOM 514 CD LYS A 48 -2.037 3.819 10.243 1.00 0.00 C ATOM 515 CE LYS A 48 -3.191 3.116 10.960 1.00 0.00 C ATOM 516 NZ LYS A 48 -2.940 3.347 12.410 1.00 0.00 N ATOM 0 H LYS A 48 1.298 1.001 7.971 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.479 2.873 6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.599 3.438 9.346 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.333 4.552 8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.215 2.787 8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.295 1.908 9.555 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.251 4.070 10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.383 4.756 9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.154 3.527 10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.211 2.051 10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.691 2.894 12.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.020 2.940 12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.934 4.369 12.603 1.00 0.00 H new ATOM 530 N TYR A 49 1.777 3.435 5.578 1.00 0.00 N ATOM 531 CA TYR A 49 3.095 3.939 5.096 1.00 0.00 C ATOM 532 C TYR A 49 2.986 5.410 4.701 1.00 0.00 C ATOM 533 O TYR A 49 2.026 5.837 4.092 1.00 0.00 O ATOM 534 CB TYR A 49 3.448 3.095 3.872 1.00 0.00 C ATOM 535 CG TYR A 49 3.710 1.667 4.286 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.650 0.852 4.695 1.00 0.00 C ATOM 537 CD2 TYR A 49 5.013 1.161 4.263 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.892 -0.471 5.083 1.00 0.00 C ATOM 539 CE2 TYR A 49 5.258 -0.163 4.649 1.00 0.00 C ATOM 540 CZ TYR A 49 4.197 -0.979 5.061 1.00 0.00 C ATOM 541 OH TYR A 49 4.436 -2.282 5.444 1.00 0.00 O ATOM 0 H TYR A 49 1.080 3.260 4.854 1.00 0.00 H new ATOM 0 HA TYR A 49 3.857 3.862 5.871 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.633 3.129 3.150 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.328 3.506 3.378 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.644 1.244 4.712 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.831 1.791 3.947 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.073 -1.100 5.399 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.264 -0.554 4.629 1.00 0.00 H new ATOM 0 HH TYR A 49 3.650 -2.832 5.243 1.00 0.00 H new ATOM 551 N LEU A 50 3.979 6.178 5.031 1.00 0.00 N ATOM 552 CA LEU A 50 3.968 7.623 4.669 1.00 0.00 C ATOM 553 C LEU A 50 5.047 7.869 3.618 1.00 0.00 C ATOM 554 O LEU A 50 6.217 7.971 3.931 1.00 0.00 O ATOM 555 CB LEU A 50 4.293 8.365 5.966 1.00 0.00 C ATOM 556 CG LEU A 50 2.996 8.862 6.611 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.515 7.840 7.643 1.00 0.00 C ATOM 558 CD2 LEU A 50 3.253 10.202 7.304 1.00 0.00 C ATOM 0 H LEU A 50 4.806 5.868 5.540 1.00 0.00 H new ATOM 0 HA LEU A 50 3.016 7.955 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.823 7.704 6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.954 9.206 5.760 1.00 0.00 H new ATOM 0 HG LEU A 50 2.234 8.989 5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.592 8.194 8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.333 6.884 7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.277 7.713 8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.330 10.557 7.763 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.015 10.074 8.073 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.597 10.931 6.570 1.00 0.00 H new ATOM 570 N VAL A 51 4.675 7.936 2.371 1.00 0.00 N ATOM 571 CA VAL A 51 5.704 8.140 1.312 1.00 0.00 C ATOM 572 C VAL A 51 5.358 9.341 0.430 1.00 0.00 C ATOM 573 O VAL A 51 4.239 9.812 0.425 1.00 0.00 O ATOM 574 CB VAL A 51 5.676 6.850 0.498 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.715 5.644 1.443 1.00 0.00 C ATOM 576 CG2 VAL A 51 4.393 6.803 -0.334 1.00 0.00 C ATOM 0 H VAL A 51 3.713 7.859 2.040 1.00 0.00 H new ATOM 0 HA VAL A 51 6.688 8.348 1.733 1.00 0.00 H new ATOM 0 HB VAL A 51 6.542 6.820 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.695 4.724 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.628 5.677 2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.850 5.673 2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.371 5.882 -0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.528 6.834 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.365 7.659 -1.008 1.00 0.00 H new ATOM 586 N PRO A 52 6.347 9.793 -0.294 1.00 0.00 N ATOM 587 CA PRO A 52 6.166 10.952 -1.201 1.00 0.00 C ATOM 588 C PRO A 52 5.301 10.558 -2.406 1.00 0.00 C ATOM 589 O PRO A 52 5.367 9.448 -2.894 1.00 0.00 O ATOM 590 CB PRO A 52 7.595 11.300 -1.621 1.00 0.00 C ATOM 591 CG PRO A 52 8.366 10.032 -1.456 1.00 0.00 C ATOM 592 CD PRO A 52 7.716 9.265 -0.336 1.00 0.00 C ATOM 0 HA PRO A 52 5.654 11.794 -0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.629 11.651 -2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.006 12.096 -1.000 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.355 9.451 -2.378 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.410 10.243 -1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.725 8.192 -0.529 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.234 9.423 0.610 1.00 0.00 H new ATOM 600 N SER A 53 4.479 11.458 -2.872 1.00 0.00 N ATOM 601 CA SER A 53 3.586 11.151 -4.029 1.00 0.00 C ATOM 602 C SER A 53 4.395 10.864 -5.298 1.00 0.00 C ATOM 603 O SER A 53 3.871 10.371 -6.277 1.00 0.00 O ATOM 604 CB SER A 53 2.750 12.418 -4.212 1.00 0.00 C ATOM 605 OG SER A 53 1.515 12.274 -3.523 1.00 0.00 O ATOM 0 H SER A 53 4.386 12.402 -2.498 1.00 0.00 H new ATOM 0 HA SER A 53 2.979 10.264 -3.848 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.293 13.283 -3.831 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.569 12.597 -5.272 1.00 0.00 H new ATOM 0 HG SER A 53 0.979 13.086 -3.638 1.00 0.00 H new ATOM 611 N ASP A 54 5.660 11.174 -5.299 1.00 0.00 N ATOM 612 CA ASP A 54 6.488 10.928 -6.517 1.00 0.00 C ATOM 613 C ASP A 54 6.982 9.478 -6.558 1.00 0.00 C ATOM 614 O ASP A 54 7.523 9.030 -7.549 1.00 0.00 O ATOM 615 CB ASP A 54 7.669 11.891 -6.389 1.00 0.00 C ATOM 616 CG ASP A 54 8.372 12.020 -7.742 1.00 0.00 C ATOM 617 OD1 ASP A 54 7.682 12.214 -8.730 1.00 0.00 O ATOM 618 OD2 ASP A 54 9.588 11.923 -7.767 1.00 0.00 O ATOM 0 H ASP A 54 6.159 11.587 -4.511 1.00 0.00 H new ATOM 0 HA ASP A 54 5.920 11.087 -7.434 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.321 12.868 -6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.369 11.527 -5.637 1.00 0.00 H new ATOM 623 N LEU A 55 6.814 8.742 -5.493 1.00 0.00 N ATOM 624 CA LEU A 55 7.293 7.328 -5.491 1.00 0.00 C ATOM 625 C LEU A 55 6.572 6.496 -6.548 1.00 0.00 C ATOM 626 O LEU A 55 5.384 6.629 -6.763 1.00 0.00 O ATOM 627 CB LEU A 55 6.955 6.767 -4.108 1.00 0.00 C ATOM 628 CG LEU A 55 8.216 6.672 -3.255 1.00 0.00 C ATOM 629 CD1 LEU A 55 7.924 5.803 -2.032 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.351 6.030 -4.058 1.00 0.00 C ATOM 0 H LEU A 55 6.369 9.054 -4.630 1.00 0.00 H new ATOM 0 HA LEU A 55 8.360 7.291 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.222 7.408 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.500 5.782 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 55 8.515 7.674 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.820 5.729 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.119 6.252 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.624 4.807 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.245 5.968 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.055 5.028 -4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.562 6.636 -4.939 1.00 0.00 H new ATOM 642 N THR A 56 7.286 5.615 -7.185 1.00 0.00 N ATOM 643 CA THR A 56 6.656 4.737 -8.208 1.00 0.00 C ATOM 644 C THR A 56 6.174 3.446 -7.537 1.00 0.00 C ATOM 645 O THR A 56 6.651 3.070 -6.482 1.00 0.00 O ATOM 646 CB THR A 56 7.763 4.440 -9.221 1.00 0.00 C ATOM 647 OG1 THR A 56 9.003 4.315 -8.540 1.00 0.00 O ATOM 648 CG2 THR A 56 7.848 5.581 -10.237 1.00 0.00 C ATOM 0 H THR A 56 8.284 5.464 -7.041 1.00 0.00 H new ATOM 0 HA THR A 56 5.793 5.200 -8.688 1.00 0.00 H new ATOM 0 HB THR A 56 7.539 3.510 -9.743 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.714 4.123 -9.187 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.637 5.368 -10.958 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.896 5.675 -10.759 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.072 6.514 -9.719 1.00 0.00 H new ATOM 656 N VAL A 57 5.238 2.764 -8.132 1.00 0.00 N ATOM 657 CA VAL A 57 4.740 1.503 -7.514 1.00 0.00 C ATOM 658 C VAL A 57 5.909 0.544 -7.261 1.00 0.00 C ATOM 659 O VAL A 57 5.841 -0.320 -6.411 1.00 0.00 O ATOM 660 CB VAL A 57 3.774 0.915 -8.539 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.408 -0.514 -8.135 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.505 1.770 -8.590 1.00 0.00 C ATOM 0 H VAL A 57 4.797 3.022 -9.015 1.00 0.00 H new ATOM 0 HA VAL A 57 4.256 1.675 -6.553 1.00 0.00 H new ATOM 0 HB VAL A 57 4.248 0.905 -9.521 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.718 -0.934 -8.867 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.311 -1.124 -8.096 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.934 -0.505 -7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.814 1.352 -9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.032 1.779 -7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.764 2.789 -8.877 1.00 0.00 H new ATOM 672 N GLY A 58 6.980 0.690 -7.993 1.00 0.00 N ATOM 673 CA GLY A 58 8.151 -0.214 -7.794 1.00 0.00 C ATOM 674 C GLY A 58 8.791 0.054 -6.427 1.00 0.00 C ATOM 675 O GLY A 58 9.161 -0.862 -5.719 1.00 0.00 O ATOM 0 H GLY A 58 7.096 1.396 -8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.833 -1.255 -7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.883 -0.055 -8.586 1.00 0.00 H new ATOM 679 N GLN A 59 8.926 1.297 -6.050 1.00 0.00 N ATOM 680 CA GLN A 59 9.547 1.613 -4.728 1.00 0.00 C ATOM 681 C GLN A 59 8.633 1.149 -3.593 1.00 0.00 C ATOM 682 O GLN A 59 9.074 0.558 -2.620 1.00 0.00 O ATOM 683 CB GLN A 59 9.694 3.134 -4.711 1.00 0.00 C ATOM 684 CG GLN A 59 10.472 3.585 -5.948 1.00 0.00 C ATOM 685 CD GLN A 59 11.665 4.441 -5.519 1.00 0.00 C ATOM 686 OE1 GLN A 59 11.612 5.654 -5.582 1.00 0.00 O ATOM 687 NE2 GLN A 59 12.750 3.858 -5.084 1.00 0.00 N ATOM 0 H GLN A 59 8.634 2.107 -6.598 1.00 0.00 H new ATOM 0 HA GLN A 59 10.505 1.111 -4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.711 3.605 -4.695 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.214 3.450 -3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.817 2.717 -6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.822 4.155 -6.611 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.796 2.840 -5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.551 4.420 -4.798 1.00 0.00 H new ATOM 696 N PHE A 60 7.358 1.407 -3.703 1.00 0.00 N ATOM 697 CA PHE A 60 6.432 0.968 -2.625 1.00 0.00 C ATOM 698 C PHE A 60 6.487 -0.555 -2.491 1.00 0.00 C ATOM 699 O PHE A 60 6.599 -1.086 -1.408 1.00 0.00 O ATOM 700 CB PHE A 60 5.037 1.421 -3.062 1.00 0.00 C ATOM 701 CG PHE A 60 4.081 1.244 -1.905 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.406 1.770 -0.650 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.881 0.545 -2.082 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.534 1.599 0.431 1.00 0.00 C ATOM 705 CE2 PHE A 60 2.009 0.371 -0.999 1.00 0.00 C ATOM 706 CZ PHE A 60 2.337 0.898 0.257 1.00 0.00 C ATOM 0 H PHE A 60 6.923 1.897 -4.484 1.00 0.00 H new ATOM 0 HA PHE A 60 6.697 1.392 -1.657 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.060 2.465 -3.376 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.703 0.838 -3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.332 2.309 -0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.628 0.141 -3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.785 2.008 1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.084 -0.170 -1.133 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.665 0.763 1.091 1.00 0.00 H new ATOM 716 N TYR A 61 6.428 -1.265 -3.583 1.00 0.00 N ATOM 717 CA TYR A 61 6.490 -2.749 -3.507 1.00 0.00 C ATOM 718 C TYR A 61 7.690 -3.177 -2.663 1.00 0.00 C ATOM 719 O TYR A 61 7.735 -4.272 -2.135 1.00 0.00 O ATOM 720 CB TYR A 61 6.654 -3.200 -4.954 1.00 0.00 C ATOM 721 CG TYR A 61 5.634 -4.267 -5.261 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.698 -5.506 -4.616 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.619 -4.012 -6.190 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.747 -6.493 -4.899 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.667 -4.999 -6.475 1.00 0.00 C ATOM 726 CZ TYR A 61 3.731 -6.240 -5.829 1.00 0.00 C ATOM 727 OH TYR A 61 2.793 -7.213 -6.109 1.00 0.00 O ATOM 0 H TYR A 61 6.340 -0.881 -4.524 1.00 0.00 H new ATOM 0 HA TYR A 61 5.607 -3.187 -3.042 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.526 -2.353 -5.628 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.661 -3.586 -5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.482 -5.701 -3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.570 -3.054 -6.687 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.797 -7.450 -4.400 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.884 -4.803 -7.193 1.00 0.00 H new ATOM 0 HH TYR A 61 2.159 -6.874 -6.775 1.00 0.00 H new ATOM 737 N PHE A 62 8.660 -2.320 -2.530 1.00 0.00 N ATOM 738 CA PHE A 62 9.857 -2.670 -1.723 1.00 0.00 C ATOM 739 C PHE A 62 9.580 -2.463 -0.230 1.00 0.00 C ATOM 740 O PHE A 62 9.777 -3.354 0.571 1.00 0.00 O ATOM 741 CB PHE A 62 10.949 -1.715 -2.203 1.00 0.00 C ATOM 742 CG PHE A 62 12.255 -2.463 -2.325 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.955 -2.844 -1.175 1.00 0.00 C ATOM 744 CD2 PHE A 62 12.765 -2.778 -3.591 1.00 0.00 C ATOM 745 CE1 PHE A 62 14.165 -3.540 -1.289 1.00 0.00 C ATOM 746 CE2 PHE A 62 13.974 -3.474 -3.705 1.00 0.00 C ATOM 747 CZ PHE A 62 14.675 -3.854 -2.555 1.00 0.00 C ATOM 0 H PHE A 62 8.675 -1.389 -2.947 1.00 0.00 H new ATOM 0 HA PHE A 62 10.142 -3.715 -1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.673 -1.285 -3.166 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.056 -0.887 -1.503 1.00 0.00 H new ATOM 0 HD1 PHE A 62 12.562 -2.601 -0.199 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.225 -2.484 -4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.705 -3.834 -0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.366 -3.718 -4.681 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.609 -4.389 -2.644 1.00 0.00 H new ATOM 757 N LEU A 63 9.152 -1.291 0.160 1.00 0.00 N ATOM 758 CA LEU A 63 8.903 -1.054 1.620 1.00 0.00 C ATOM 759 C LEU A 63 7.844 -2.016 2.193 1.00 0.00 C ATOM 760 O LEU A 63 7.824 -2.265 3.382 1.00 0.00 O ATOM 761 CB LEU A 63 8.482 0.417 1.784 1.00 0.00 C ATOM 762 CG LEU A 63 7.329 0.798 0.849 1.00 0.00 C ATOM 763 CD1 LEU A 63 5.993 0.408 1.482 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.364 2.313 0.636 1.00 0.00 C ATOM 0 H LEU A 63 8.966 -0.498 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 63 9.813 -1.253 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.183 0.594 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.338 1.062 1.584 1.00 0.00 H new ATOM 0 HG LEU A 63 7.435 0.276 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.179 0.682 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.973 -0.668 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.873 0.931 2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.550 2.606 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.250 2.818 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.317 2.596 0.188 1.00 0.00 H new ATOM 776 N ILE A 64 6.988 -2.591 1.385 1.00 0.00 N ATOM 777 CA ILE A 64 5.992 -3.561 1.960 1.00 0.00 C ATOM 778 C ILE A 64 6.560 -4.974 1.874 1.00 0.00 C ATOM 779 O ILE A 64 6.323 -5.801 2.729 1.00 0.00 O ATOM 780 CB ILE A 64 4.714 -3.496 1.118 1.00 0.00 C ATOM 781 CG1 ILE A 64 4.462 -2.084 0.609 1.00 0.00 C ATOM 782 CG2 ILE A 64 3.523 -3.942 1.974 1.00 0.00 C ATOM 783 CD1 ILE A 64 3.088 -2.038 -0.062 1.00 0.00 C ATOM 0 H ILE A 64 6.931 -2.440 0.378 1.00 0.00 H new ATOM 0 HA ILE A 64 5.782 -3.309 2.999 1.00 0.00 H new ATOM 0 HB ILE A 64 4.834 -4.156 0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.503 -1.373 1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.238 -1.795 -0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.611 -3.898 1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.684 -4.964 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.427 -3.282 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.897 -1.030 -0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.067 -2.740 -0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.320 -2.311 0.662 1.00 0.00 H new ATOM 795 N ARG A 65 7.294 -5.253 0.829 1.00 0.00 N ATOM 796 CA ARG A 65 7.883 -6.617 0.652 1.00 0.00 C ATOM 797 C ARG A 65 8.299 -7.211 2.002 1.00 0.00 C ATOM 798 O ARG A 65 7.766 -8.212 2.436 1.00 0.00 O ATOM 799 CB ARG A 65 9.106 -6.405 -0.240 1.00 0.00 C ATOM 800 CG ARG A 65 8.869 -7.070 -1.597 1.00 0.00 C ATOM 801 CD ARG A 65 10.131 -6.951 -2.453 1.00 0.00 C ATOM 802 NE ARG A 65 11.227 -7.481 -1.596 1.00 0.00 N ATOM 803 CZ ARG A 65 11.763 -8.641 -1.863 1.00 0.00 C ATOM 804 NH1 ARG A 65 11.002 -9.691 -2.014 1.00 0.00 N ATOM 805 NH2 ARG A 65 13.058 -8.750 -1.981 1.00 0.00 N ATOM 0 H ARG A 65 7.513 -4.591 0.085 1.00 0.00 H new ATOM 0 HA ARG A 65 7.169 -7.315 0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.292 -5.339 -0.373 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.992 -6.827 0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.609 -8.119 -1.459 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.028 -6.597 -2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.038 -7.525 -3.375 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.318 -5.916 -2.739 1.00 0.00 H new ATOM 0 HE ARG A 65 11.559 -6.937 -0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.990 -9.604 -1.923 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.420 -10.598 -2.223 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.652 -7.929 -1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.477 -9.656 -2.190 1.00 0.00 H new ATOM 817 N LYS A 66 9.242 -6.606 2.672 1.00 0.00 N ATOM 818 CA LYS A 66 9.674 -7.147 3.992 1.00 0.00 C ATOM 819 C LYS A 66 8.524 -7.054 4.993 1.00 0.00 C ATOM 820 O LYS A 66 8.393 -7.868 5.884 1.00 0.00 O ATOM 821 CB LYS A 66 10.843 -6.262 4.427 1.00 0.00 C ATOM 822 CG LYS A 66 12.162 -6.934 4.044 1.00 0.00 C ATOM 823 CD LYS A 66 12.778 -6.206 2.847 1.00 0.00 C ATOM 824 CE LYS A 66 13.607 -7.192 2.020 1.00 0.00 C ATOM 825 NZ LYS A 66 14.601 -6.348 1.301 1.00 0.00 N ATOM 0 H LYS A 66 9.730 -5.765 2.364 1.00 0.00 H new ATOM 0 HA LYS A 66 9.965 -8.196 3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.769 -5.284 3.951 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.806 -6.096 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.851 -6.915 4.889 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.990 -7.982 3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.993 -5.769 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.407 -5.385 3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.100 -7.926 2.658 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.980 -7.746 1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.208 -6.953 0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.103 -5.663 0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.187 -5.838 1.992 1.00 0.00 H new ATOM 839 N ARG A 67 7.685 -6.067 4.848 1.00 0.00 N ATOM 840 CA ARG A 67 6.536 -5.924 5.785 1.00 0.00 C ATOM 841 C ARG A 67 5.552 -7.081 5.588 1.00 0.00 C ATOM 842 O ARG A 67 4.711 -7.341 6.426 1.00 0.00 O ATOM 843 CB ARG A 67 5.882 -4.594 5.407 1.00 0.00 C ATOM 844 CG ARG A 67 6.906 -3.466 5.539 1.00 0.00 C ATOM 845 CD ARG A 67 7.243 -3.251 7.016 1.00 0.00 C ATOM 846 NE ARG A 67 8.497 -2.448 7.011 1.00 0.00 N ATOM 847 CZ ARG A 67 9.533 -2.850 7.695 1.00 0.00 C ATOM 848 NH1 ARG A 67 10.303 -3.791 7.223 1.00 0.00 N ATOM 849 NH2 ARG A 67 9.798 -2.311 8.853 1.00 0.00 N ATOM 0 H ARG A 67 7.745 -5.353 4.122 1.00 0.00 H new ATOM 0 HA ARG A 67 6.846 -5.943 6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.505 -4.639 4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.027 -4.400 6.054 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.809 -3.714 4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.508 -2.547 5.109 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.440 -2.725 7.532 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.385 -4.201 7.531 1.00 0.00 H new ATOM 0 HE ARG A 67 8.546 -1.583 6.473 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.096 -4.214 6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.112 -4.104 7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.196 -1.576 9.223 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.608 -2.625 9.388 1.00 0.00 H new ATOM 861 N ILE A 68 5.654 -7.785 4.490 1.00 0.00 N ATOM 862 CA ILE A 68 4.727 -8.927 4.249 1.00 0.00 C ATOM 863 C ILE A 68 5.437 -10.243 4.566 1.00 0.00 C ATOM 864 O ILE A 68 4.970 -11.310 4.223 1.00 0.00 O ATOM 865 CB ILE A 68 4.368 -8.860 2.759 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.549 -7.591 2.437 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.543 -10.090 2.384 1.00 0.00 C ATOM 868 CD1 ILE A 68 2.882 -7.026 3.698 1.00 0.00 C ATOM 0 H ILE A 68 6.338 -7.618 3.752 1.00 0.00 H new ATOM 0 HA ILE A 68 3.838 -8.874 4.877 1.00 0.00 H new ATOM 0 HB ILE A 68 5.295 -8.830 2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.201 -6.836 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.787 -7.826 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.286 -10.047 1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.124 -10.991 2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.630 -10.111 2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.313 -6.133 3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.212 -7.774 4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.647 -6.769 4.430 1.00 0.00 H new ATOM 880 N HIS A 69 6.567 -10.171 5.212 1.00 0.00 N ATOM 881 CA HIS A 69 7.316 -11.412 5.555 1.00 0.00 C ATOM 882 C HIS A 69 7.479 -12.293 4.319 1.00 0.00 C ATOM 883 O HIS A 69 7.545 -13.503 4.409 1.00 0.00 O ATOM 884 CB HIS A 69 6.467 -12.114 6.613 1.00 0.00 C ATOM 885 CG HIS A 69 7.293 -12.358 7.844 1.00 0.00 C ATOM 886 ND1 HIS A 69 8.677 -12.448 7.803 1.00 0.00 N ATOM 887 CD2 HIS A 69 6.945 -12.537 9.159 1.00 0.00 C ATOM 888 CE1 HIS A 69 9.105 -12.671 9.059 1.00 0.00 C ATOM 889 NE2 HIS A 69 8.091 -12.733 9.925 1.00 0.00 N ATOM 0 H HIS A 69 7.006 -9.303 5.518 1.00 0.00 H new ATOM 0 HA HIS A 69 8.320 -11.197 5.921 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.599 -11.503 6.861 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.090 -13.059 6.223 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.935 -12.527 9.542 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.143 -12.786 9.333 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.144 -12.890 10.931 1.00 0.00 H new ATOM 897 N LEU A 70 7.559 -11.692 3.170 1.00 0.00 N ATOM 898 CA LEU A 70 7.738 -12.492 1.924 1.00 0.00 C ATOM 899 C LEU A 70 9.141 -12.262 1.361 1.00 0.00 C ATOM 900 O LEU A 70 9.767 -11.256 1.626 1.00 0.00 O ATOM 901 CB LEU A 70 6.662 -11.999 0.950 1.00 0.00 C ATOM 902 CG LEU A 70 6.903 -10.531 0.581 1.00 0.00 C ATOM 903 CD1 LEU A 70 8.031 -10.437 -0.448 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.622 -9.947 -0.019 1.00 0.00 C ATOM 0 H LEU A 70 7.509 -10.682 3.035 1.00 0.00 H new ATOM 0 HA LEU A 70 7.637 -13.562 2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.670 -12.612 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.676 -12.109 1.402 1.00 0.00 H new ATOM 0 HG LEU A 70 7.182 -9.973 1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.200 -9.392 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.944 -10.858 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.754 -10.994 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.787 -8.903 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.350 -10.509 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.815 -10.013 0.711 1.00 0.00 H new ATOM 916 N ARG A 71 9.650 -13.192 0.602 1.00 0.00 N ATOM 917 CA ARG A 71 11.024 -13.020 0.046 1.00 0.00 C ATOM 918 C ARG A 71 11.292 -14.027 -1.079 1.00 0.00 C ATOM 919 O ARG A 71 10.413 -14.748 -1.505 1.00 0.00 O ATOM 920 CB ARG A 71 11.949 -13.288 1.234 1.00 0.00 C ATOM 921 CG ARG A 71 11.950 -14.787 1.559 1.00 0.00 C ATOM 922 CD ARG A 71 13.389 -15.305 1.577 1.00 0.00 C ATOM 923 NE ARG A 71 13.541 -15.966 2.903 1.00 0.00 N ATOM 924 CZ ARG A 71 14.260 -15.404 3.834 1.00 0.00 C ATOM 925 NH1 ARG A 71 15.531 -15.189 3.637 1.00 0.00 N ATOM 926 NH2 ARG A 71 13.707 -15.056 4.965 1.00 0.00 N ATOM 0 H ARG A 71 9.179 -14.059 0.343 1.00 0.00 H new ATOM 0 HA ARG A 71 11.171 -12.031 -0.388 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.961 -12.955 1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.617 -12.718 2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.478 -14.960 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.366 -15.331 0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 71 13.566 -16.007 0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.104 -14.491 1.457 1.00 0.00 H new ATOM 0 HE ARG A 71 13.082 -16.859 3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 71 15.963 -15.461 2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.093 -14.749 4.366 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.713 -15.224 5.120 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.269 -14.616 5.694 1.00 0.00 H new ATOM 938 N ALA A 72 12.509 -14.086 -1.549 1.00 0.00 N ATOM 939 CA ALA A 72 12.852 -15.052 -2.632 1.00 0.00 C ATOM 940 C ALA A 72 11.891 -14.906 -3.814 1.00 0.00 C ATOM 941 O ALA A 72 12.144 -14.163 -4.741 1.00 0.00 O ATOM 942 CB ALA A 72 12.710 -16.434 -1.990 1.00 0.00 C ATOM 0 H ALA A 72 13.283 -13.504 -1.228 1.00 0.00 H new ATOM 0 HA ALA A 72 13.854 -14.884 -3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.946 -17.203 -2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.396 -16.516 -1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.687 -16.569 -1.640 1.00 0.00 H new ATOM 948 N GLU A 73 10.798 -15.618 -3.796 1.00 0.00 N ATOM 949 CA GLU A 73 9.836 -15.524 -4.930 1.00 0.00 C ATOM 950 C GLU A 73 8.403 -15.789 -4.454 1.00 0.00 C ATOM 951 O GLU A 73 7.606 -16.376 -5.158 1.00 0.00 O ATOM 952 CB GLU A 73 10.302 -16.604 -5.910 1.00 0.00 C ATOM 953 CG GLU A 73 9.749 -17.972 -5.495 1.00 0.00 C ATOM 954 CD GLU A 73 10.578 -19.077 -6.151 1.00 0.00 C ATOM 955 OE1 GLU A 73 11.643 -19.376 -5.636 1.00 0.00 O ATOM 956 OE2 GLU A 73 10.135 -19.606 -7.156 1.00 0.00 O ATOM 0 H GLU A 73 10.530 -16.258 -3.049 1.00 0.00 H new ATOM 0 HA GLU A 73 9.820 -14.533 -5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.967 -16.359 -6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.391 -16.637 -5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.780 -18.075 -4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.705 -18.060 -5.794 1.00 0.00 H new ATOM 963 N ASP A 74 8.067 -15.357 -3.270 1.00 0.00 N ATOM 964 CA ASP A 74 6.685 -15.584 -2.764 1.00 0.00 C ATOM 965 C ASP A 74 5.674 -14.955 -3.713 1.00 0.00 C ATOM 966 O ASP A 74 6.017 -14.325 -4.694 1.00 0.00 O ATOM 967 CB ASP A 74 6.651 -14.923 -1.376 1.00 0.00 C ATOM 968 CG ASP A 74 5.294 -14.267 -1.093 1.00 0.00 C ATOM 969 OD1 ASP A 74 4.958 -13.322 -1.788 1.00 0.00 O ATOM 970 OD2 ASP A 74 4.616 -14.721 -0.186 1.00 0.00 O ATOM 0 H ASP A 74 8.688 -14.858 -2.633 1.00 0.00 H new ATOM 0 HA ASP A 74 6.428 -16.641 -2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.860 -15.671 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.439 -14.172 -1.311 1.00 0.00 H new ATOM 975 N ALA A 75 4.433 -15.132 -3.412 1.00 0.00 N ATOM 976 CA ALA A 75 3.360 -14.560 -4.274 1.00 0.00 C ATOM 977 C ALA A 75 2.701 -13.367 -3.581 1.00 0.00 C ATOM 978 O ALA A 75 2.434 -13.392 -2.395 1.00 0.00 O ATOM 979 CB ALA A 75 2.351 -15.688 -4.466 1.00 0.00 C ATOM 0 H ALA A 75 4.102 -15.652 -2.599 1.00 0.00 H new ATOM 0 HA ALA A 75 3.751 -14.200 -5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.530 -15.339 -5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.840 -16.535 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.961 -15.997 -3.496 1.00 0.00 H new ATOM 985 N LEU A 76 2.432 -12.325 -4.315 1.00 0.00 N ATOM 986 CA LEU A 76 1.784 -11.130 -3.704 1.00 0.00 C ATOM 987 C LEU A 76 1.231 -10.213 -4.794 1.00 0.00 C ATOM 988 O LEU A 76 1.721 -10.182 -5.905 1.00 0.00 O ATOM 989 CB LEU A 76 2.892 -10.424 -2.928 1.00 0.00 C ATOM 990 CG LEU A 76 2.394 -9.062 -2.441 1.00 0.00 C ATOM 991 CD1 LEU A 76 1.493 -9.255 -1.219 1.00 0.00 C ATOM 992 CD2 LEU A 76 3.592 -8.192 -2.058 1.00 0.00 C ATOM 0 H LEU A 76 2.632 -12.248 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 76 0.948 -11.403 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.200 -11.034 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.769 -10.296 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 76 1.828 -8.575 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.138 -8.285 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.640 -9.877 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.058 -9.741 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.240 -7.221 -1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.156 -8.679 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.235 -8.055 -2.927 1.00 0.00 H new ATOM 1004 N PHE A 77 0.214 -9.468 -4.476 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.387 -8.546 -5.478 1.00 0.00 C ATOM 1006 C PHE A 77 -1.151 -7.428 -4.767 1.00 0.00 C ATOM 1007 O PHE A 77 -2.053 -7.681 -3.991 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.354 -9.412 -6.280 1.00 0.00 C ATOM 1009 CG PHE A 77 -0.610 -10.580 -6.881 1.00 0.00 C ATOM 1010 CD1 PHE A 77 0.158 -10.401 -8.038 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.687 -11.842 -6.279 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.850 -11.484 -8.592 1.00 0.00 C ATOM 1013 CE2 PHE A 77 0.005 -12.925 -6.834 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.774 -12.746 -7.991 1.00 0.00 C ATOM 0 H PHE A 77 -0.231 -9.457 -3.558 1.00 0.00 H new ATOM 0 HA PHE A 77 0.366 -8.075 -6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.156 -9.772 -5.635 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.820 -8.820 -7.068 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.216 -9.428 -8.503 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.280 -11.980 -5.387 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.443 -11.346 -9.484 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.054 -13.899 -6.370 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.308 -13.581 -8.419 1.00 0.00 H new ATOM 1024 N PHE A 78 -0.792 -6.194 -5.008 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.495 -5.077 -4.334 1.00 0.00 C ATOM 1026 C PHE A 78 -2.792 -4.713 -5.055 1.00 0.00 C ATOM 1027 O PHE A 78 -2.798 -4.362 -6.220 1.00 0.00 O ATOM 1028 CB PHE A 78 -0.518 -3.918 -4.414 1.00 0.00 C ATOM 1029 CG PHE A 78 0.699 -4.206 -3.573 1.00 0.00 C ATOM 1030 CD1 PHE A 78 0.751 -5.329 -2.733 1.00 0.00 C ATOM 1031 CD2 PHE A 78 1.771 -3.329 -3.627 1.00 0.00 C ATOM 1032 CE1 PHE A 78 1.887 -5.558 -1.946 1.00 0.00 C ATOM 1033 CE2 PHE A 78 2.906 -3.555 -2.846 1.00 0.00 C ATOM 1034 CZ PHE A 78 2.965 -4.668 -2.002 1.00 0.00 C ATOM 0 H PHE A 78 -0.043 -5.918 -5.642 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.776 -5.336 -3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.223 -3.752 -5.450 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.999 -3.003 -4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.082 -6.015 -2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.728 -2.467 -4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.931 -6.420 -1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.739 -2.869 -2.894 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.841 -4.840 -1.394 1.00 0.00 H new ATOM 1044 N PHE A 79 -3.884 -4.766 -4.354 1.00 0.00 N ATOM 1045 CA PHE A 79 -5.191 -4.398 -4.957 1.00 0.00 C ATOM 1046 C PHE A 79 -5.714 -3.132 -4.284 1.00 0.00 C ATOM 1047 O PHE A 79 -5.926 -3.092 -3.086 1.00 0.00 O ATOM 1048 CB PHE A 79 -6.121 -5.564 -4.657 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.507 -6.853 -5.153 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -5.563 -7.176 -6.515 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -4.886 -7.726 -4.252 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -4.996 -8.371 -6.975 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -4.320 -8.922 -4.712 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.375 -9.244 -6.073 1.00 0.00 C ATOM 0 H PHE A 79 -3.928 -5.052 -3.376 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.115 -4.209 -6.028 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.304 -5.628 -3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.087 -5.403 -5.136 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.043 -6.503 -7.210 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.843 -7.477 -3.202 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.038 -8.619 -8.025 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.841 -9.596 -4.017 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.938 -10.166 -6.428 1.00 0.00 H new ATOM 1064 N VAL A 80 -5.921 -2.101 -5.041 1.00 0.00 N ATOM 1065 CA VAL A 80 -6.432 -0.831 -4.450 1.00 0.00 C ATOM 1066 C VAL A 80 -7.758 -0.444 -5.108 1.00 0.00 C ATOM 1067 O VAL A 80 -7.867 -0.385 -6.316 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.358 0.221 -4.741 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -5.513 1.384 -3.760 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.965 -0.393 -4.576 1.00 0.00 C ATOM 0 H VAL A 80 -5.760 -2.077 -6.048 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.619 -0.924 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.475 0.578 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.750 2.136 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.501 1.829 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.398 1.017 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.207 0.362 -4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.845 -0.754 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.849 -1.225 -5.271 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.764 -0.181 -4.323 1.00 0.00 N ATOM 1081 CA ASN A 81 -10.083 0.200 -4.908 1.00 0.00 C ATOM 1082 C ASN A 81 -10.490 -0.801 -5.993 1.00 0.00 C ATOM 1083 O ASN A 81 -10.982 -0.430 -7.040 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.860 1.585 -5.516 1.00 0.00 C ATOM 1085 CG ASN A 81 -11.121 2.431 -5.332 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -11.523 2.709 -4.219 1.00 0.00 O ATOM 1087 ND2 ASN A 81 -11.765 2.857 -6.384 1.00 0.00 N ATOM 0 H ASN A 81 -8.732 -0.213 -3.304 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.879 0.203 -4.164 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.010 2.071 -5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.621 1.495 -6.576 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.606 3.423 -6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.427 2.624 -7.318 1.00 0.00 H new ATOM 1094 N ASN A 82 -10.291 -2.068 -5.750 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.667 -3.094 -6.765 1.00 0.00 C ATOM 1096 C ASN A 82 -9.893 -2.868 -8.067 1.00 0.00 C ATOM 1097 O ASN A 82 -10.409 -3.070 -9.149 1.00 0.00 O ATOM 1098 CB ASN A 82 -12.167 -2.899 -6.993 1.00 0.00 C ATOM 1099 CG ASN A 82 -12.891 -2.876 -5.647 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -12.270 -2.967 -4.608 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -14.191 -2.756 -5.621 1.00 0.00 N ATOM 0 H ASN A 82 -9.884 -2.438 -4.891 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.433 -4.105 -6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.346 -1.967 -7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.558 -3.704 -7.614 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.684 -2.739 -4.728 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.714 -2.679 -6.494 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.658 -2.456 -7.975 1.00 0.00 N ATOM 1109 CA VAL A 83 -7.858 -2.228 -9.213 1.00 0.00 C ATOM 1110 C VAL A 83 -6.462 -2.835 -9.053 1.00 0.00 C ATOM 1111 O VAL A 83 -6.042 -3.167 -7.961 1.00 0.00 O ATOM 1112 CB VAL A 83 -7.769 -0.707 -9.377 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.450 -0.369 -10.835 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -9.104 -0.062 -8.994 1.00 0.00 C ATOM 0 H VAL A 83 -8.169 -2.268 -7.100 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.315 -2.695 -10.085 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.982 -0.325 -8.727 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.387 0.713 -10.952 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.498 -0.821 -11.113 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.238 -0.758 -11.480 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.033 1.019 -9.113 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.893 -0.447 -9.640 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.338 -0.298 -7.956 1.00 0.00 H new ATOM 1124 N ILE A 84 -5.740 -2.969 -10.134 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.370 -3.557 -10.069 1.00 0.00 C ATOM 1126 C ILE A 84 -3.541 -3.057 -11.256 1.00 0.00 C ATOM 1127 O ILE A 84 -3.278 -3.796 -12.185 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.552 -5.077 -10.204 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -5.798 -5.564 -9.451 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.321 -5.782 -9.632 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -7.053 -5.279 -10.279 1.00 0.00 C ATOM 0 H ILE A 84 -6.044 -2.694 -11.068 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.864 -3.283 -9.143 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.676 -5.311 -11.261 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.718 -6.633 -9.252 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.868 -5.064 -8.485 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.444 -6.861 -9.725 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.434 -5.469 -10.183 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.207 -5.519 -8.580 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.933 -5.627 -9.738 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.137 -4.207 -10.455 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.985 -5.800 -11.234 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.163 -1.811 -11.185 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.358 -1.195 -12.269 1.00 0.00 C ATOM 1145 C PRO A 85 -0.920 -1.722 -12.245 1.00 0.00 C ATOM 1146 O PRO A 85 -0.480 -2.292 -11.266 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.396 0.295 -11.938 1.00 0.00 C ATOM 1148 CG PRO A 85 -2.650 0.358 -10.464 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.446 -0.868 -10.099 1.00 0.00 C ATOM 0 HA PRO A 85 -2.742 -1.419 -13.264 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.456 0.781 -12.198 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.182 0.803 -12.496 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.710 0.386 -9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.198 1.264 -10.206 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.141 -1.269 -9.133 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.511 -0.647 -10.030 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.234 -1.504 -13.335 1.00 0.00 N ATOM 1158 CA PRO A 86 1.175 -1.952 -13.458 1.00 0.00 C ATOM 1159 C PRO A 86 2.088 -1.079 -12.596 1.00 0.00 C ATOM 1160 O PRO A 86 1.640 -0.183 -11.909 1.00 0.00 O ATOM 1161 CB PRO A 86 1.481 -1.765 -14.942 1.00 0.00 C ATOM 1162 CG PRO A 86 0.526 -0.711 -15.405 1.00 0.00 C ATOM 1163 CD PRO A 86 -0.706 -0.823 -14.545 1.00 0.00 C ATOM 0 HA PRO A 86 1.332 -2.977 -13.123 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.515 -1.456 -15.096 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.341 -2.694 -15.494 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.971 0.280 -15.313 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.276 -0.852 -16.457 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.122 0.158 -14.314 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.490 -1.393 -15.043 1.00 0.00 H new ATOM 1171 N THR A 87 3.366 -1.337 -12.625 1.00 0.00 N ATOM 1172 CA THR A 87 4.308 -0.524 -11.802 1.00 0.00 C ATOM 1173 C THR A 87 4.732 0.739 -12.552 1.00 0.00 C ATOM 1174 O THR A 87 5.730 1.358 -12.240 1.00 0.00 O ATOM 1175 CB THR A 87 5.518 -1.420 -11.565 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.735 -2.235 -12.710 1.00 0.00 O ATOM 1177 CG2 THR A 87 5.273 -2.305 -10.342 1.00 0.00 C ATOM 0 H THR A 87 3.799 -2.074 -13.181 1.00 0.00 H new ATOM 0 HA THR A 87 3.845 -0.201 -10.869 1.00 0.00 H new ATOM 0 HB THR A 87 6.398 -0.801 -11.388 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.514 -2.810 -12.559 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.140 -2.944 -10.176 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.111 -1.678 -9.465 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.393 -2.925 -10.512 1.00 0.00 H new ATOM 1185 N SER A 88 3.976 1.122 -13.532 1.00 0.00 N ATOM 1186 CA SER A 88 4.315 2.345 -14.312 1.00 0.00 C ATOM 1187 C SER A 88 3.521 3.536 -13.771 1.00 0.00 C ATOM 1188 O SER A 88 2.996 4.340 -14.515 1.00 0.00 O ATOM 1189 CB SER A 88 3.900 2.029 -15.747 1.00 0.00 C ATOM 1190 OG SER A 88 4.764 1.029 -16.274 1.00 0.00 O ATOM 0 H SER A 88 3.129 0.640 -13.833 1.00 0.00 H new ATOM 0 HA SER A 88 5.372 2.604 -14.247 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.866 1.684 -15.772 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.950 2.929 -16.359 1.00 0.00 H new ATOM 0 HG SER A 88 4.501 0.821 -17.195 1.00 0.00 H new ATOM 1196 N ALA A 89 3.429 3.646 -12.476 1.00 0.00 N ATOM 1197 CA ALA A 89 2.666 4.775 -11.870 1.00 0.00 C ATOM 1198 C ALA A 89 3.326 5.223 -10.571 1.00 0.00 C ATOM 1199 O ALA A 89 4.406 4.788 -10.222 1.00 0.00 O ATOM 1200 CB ALA A 89 1.274 4.204 -11.592 1.00 0.00 C ATOM 0 H ALA A 89 3.850 3.001 -11.808 1.00 0.00 H new ATOM 0 HA ALA A 89 2.630 5.646 -12.524 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.647 4.975 -11.143 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.825 3.870 -12.527 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.357 3.360 -10.907 1.00 0.00 H new ATOM 1206 N THR A 90 2.682 6.098 -9.861 1.00 0.00 N ATOM 1207 CA THR A 90 3.259 6.596 -8.580 1.00 0.00 C ATOM 1208 C THR A 90 2.162 6.721 -7.521 1.00 0.00 C ATOM 1209 O THR A 90 1.050 7.126 -7.803 1.00 0.00 O ATOM 1210 CB THR A 90 3.843 7.968 -8.918 1.00 0.00 C ATOM 1211 OG1 THR A 90 2.814 8.804 -9.428 1.00 0.00 O ATOM 1212 CG2 THR A 90 4.943 7.811 -9.966 1.00 0.00 C ATOM 0 H THR A 90 1.776 6.494 -10.110 1.00 0.00 H new ATOM 0 HA THR A 90 4.014 5.922 -8.174 1.00 0.00 H new ATOM 0 HB THR A 90 4.264 8.417 -8.019 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.185 9.685 -9.644 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.359 8.789 -10.206 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.731 7.169 -9.573 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.525 7.363 -10.868 1.00 0.00 H new ATOM 1220 N MET A 91 2.465 6.370 -6.304 1.00 0.00 N ATOM 1221 CA MET A 91 1.433 6.462 -5.232 1.00 0.00 C ATOM 1222 C MET A 91 0.824 7.863 -5.214 1.00 0.00 C ATOM 1223 O MET A 91 -0.362 8.035 -5.013 1.00 0.00 O ATOM 1224 CB MET A 91 2.167 6.176 -3.918 1.00 0.00 C ATOM 1225 CG MET A 91 2.540 4.692 -3.852 1.00 0.00 C ATOM 1226 SD MET A 91 3.266 4.324 -2.235 1.00 0.00 S ATOM 1227 CE MET A 91 4.981 4.705 -2.669 1.00 0.00 C ATOM 0 H MET A 91 3.377 6.025 -6.004 1.00 0.00 H new ATOM 0 HA MET A 91 0.618 5.756 -5.391 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.065 6.791 -3.850 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.534 6.441 -3.071 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.655 4.076 -4.014 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.248 4.448 -4.644 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.652 4.210 -1.967 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.188 4.352 -3.679 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.137 5.783 -2.622 1.00 0.00 H new ATOM 1237 N GLY A 92 1.628 8.866 -5.424 1.00 0.00 N ATOM 1238 CA GLY A 92 1.095 10.255 -5.421 1.00 0.00 C ATOM 1239 C GLY A 92 -0.120 10.341 -6.337 1.00 0.00 C ATOM 1240 O GLY A 92 -1.159 10.850 -5.963 1.00 0.00 O ATOM 0 H GLY A 92 2.630 8.784 -5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.820 10.547 -4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.865 10.951 -5.755 1.00 0.00 H new ATOM 1244 N GLN A 93 -0.003 9.849 -7.537 1.00 0.00 N ATOM 1245 CA GLN A 93 -1.160 9.906 -8.473 1.00 0.00 C ATOM 1246 C GLN A 93 -2.307 9.048 -7.928 1.00 0.00 C ATOM 1247 O GLN A 93 -3.465 9.316 -8.176 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.623 9.377 -9.817 1.00 0.00 C ATOM 1249 CG GLN A 93 -0.958 7.891 -9.998 1.00 0.00 C ATOM 1250 CD GLN A 93 -0.510 7.434 -11.388 1.00 0.00 C ATOM 1251 OE1 GLN A 93 0.670 7.362 -11.666 1.00 0.00 O ATOM 1252 NE2 GLN A 93 -1.409 7.120 -12.280 1.00 0.00 N ATOM 0 H GLN A 93 0.840 9.411 -7.910 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.563 10.912 -8.593 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.054 9.953 -10.636 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.457 9.518 -9.862 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.460 7.299 -9.230 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.030 7.731 -9.879 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.400 7.180 -12.048 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.120 6.815 -13.209 1.00 0.00 H new ATOM 1261 N LEU A 94 -1.993 8.021 -7.183 1.00 0.00 N ATOM 1262 CA LEU A 94 -3.071 7.159 -6.623 1.00 0.00 C ATOM 1263 C LEU A 94 -3.872 7.932 -5.576 1.00 0.00 C ATOM 1264 O LEU A 94 -5.003 7.616 -5.290 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.340 5.962 -6.003 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.269 6.081 -4.473 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.561 5.541 -3.862 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -1.084 5.268 -3.956 1.00 0.00 C ATOM 0 H LEU A 94 -1.042 7.744 -6.940 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.787 6.837 -7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.853 5.040 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.332 5.898 -6.412 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.143 7.127 -4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.513 5.624 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.408 6.118 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.685 4.494 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.032 5.351 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.211 4.222 -4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.162 5.650 -4.394 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.296 8.935 -4.989 1.00 0.00 N ATOM 1281 CA TYR A 95 -4.052 9.692 -3.962 1.00 0.00 C ATOM 1282 C TYR A 95 -5.440 10.057 -4.504 1.00 0.00 C ATOM 1283 O TYR A 95 -6.449 9.751 -3.902 1.00 0.00 O ATOM 1284 CB TYR A 95 -3.215 10.945 -3.697 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.254 11.262 -2.226 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -3.022 10.248 -1.291 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.526 12.566 -1.795 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -3.062 10.536 0.077 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.564 12.855 -0.426 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.334 11.840 0.510 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.374 12.125 1.860 1.00 0.00 O ATOM 0 H TYR A 95 -2.347 9.261 -5.171 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.211 9.120 -3.048 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.186 10.785 -4.020 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.603 11.785 -4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.812 9.243 -1.625 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.706 13.348 -2.518 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.883 9.753 0.799 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.771 13.861 -0.092 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.574 13.076 1.988 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.498 10.697 -5.639 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.827 11.069 -6.221 1.00 0.00 C ATOM 1303 C GLN A 96 -7.582 9.829 -6.722 1.00 0.00 C ATOM 1304 O GLN A 96 -8.778 9.867 -6.937 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.515 12.007 -7.393 1.00 0.00 C ATOM 1306 CG GLN A 96 -7.093 13.393 -7.101 1.00 0.00 C ATOM 1307 CD GLN A 96 -6.116 14.467 -7.581 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -5.141 14.166 -8.243 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -6.335 15.716 -7.273 1.00 0.00 N ATOM 0 H GLN A 96 -4.688 10.980 -6.190 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.465 11.542 -5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.437 12.074 -7.543 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.941 11.610 -8.315 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.054 13.511 -7.602 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.275 13.504 -6.032 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.153 15.969 -6.718 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.689 16.440 -7.587 1.00 0.00 H new ATOM 1318 N GLU A 97 -6.894 8.739 -6.943 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.578 7.514 -7.468 1.00 0.00 C ATOM 1320 C GLU A 97 -8.175 6.654 -6.345 1.00 0.00 C ATOM 1321 O GLU A 97 -9.373 6.467 -6.271 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.485 6.737 -8.206 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.653 6.928 -9.715 1.00 0.00 C ATOM 1324 CD GLU A 97 -5.906 5.817 -10.455 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -4.686 5.830 -10.427 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -6.566 4.973 -11.037 1.00 0.00 O ATOM 0 H GLU A 97 -5.891 8.642 -6.784 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.416 7.782 -8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.501 7.086 -7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.543 5.678 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.710 6.909 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.267 7.902 -10.014 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.355 6.097 -5.495 1.00 0.00 N ATOM 1334 CA HIS A 98 -7.877 5.218 -4.418 1.00 0.00 C ATOM 1335 C HIS A 98 -8.011 5.980 -3.095 1.00 0.00 C ATOM 1336 O HIS A 98 -7.766 5.447 -2.026 1.00 0.00 O ATOM 1337 CB HIS A 98 -6.816 4.131 -4.313 1.00 0.00 C ATOM 1338 CG HIS A 98 -6.708 3.422 -5.631 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -7.797 3.243 -6.470 1.00 0.00 N ATOM 1340 CD2 HIS A 98 -5.643 2.849 -6.270 1.00 0.00 C ATOM 1341 CE1 HIS A 98 -7.362 2.585 -7.561 1.00 0.00 C ATOM 1342 NE2 HIS A 98 -6.055 2.320 -7.490 1.00 0.00 N ATOM 0 H HIS A 98 -6.342 6.216 -5.503 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.873 4.829 -4.632 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.855 4.568 -4.041 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.078 3.424 -3.526 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.634 2.812 -5.886 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.993 2.306 -8.392 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.482 1.835 -8.181 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.419 7.218 -3.162 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.600 8.021 -1.914 1.00 0.00 C ATOM 1352 C HIS A 99 -9.665 7.356 -1.028 1.00 0.00 C ATOM 1353 O HIS A 99 -10.276 6.381 -1.417 1.00 0.00 O ATOM 1354 CB HIS A 99 -9.052 9.415 -2.394 1.00 0.00 C ATOM 1355 CG HIS A 99 -10.066 9.293 -3.500 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -11.005 8.274 -3.548 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -10.295 10.065 -4.610 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -11.747 8.459 -4.656 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -11.356 9.537 -5.340 1.00 0.00 N ATOM 0 H HIS A 99 -8.636 7.711 -4.028 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.691 8.090 -1.316 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.481 9.971 -1.560 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.190 9.982 -2.745 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.736 10.950 -4.878 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -12.560 7.814 -4.955 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -11.750 9.896 -6.210 1.00 0.00 H new ATOM 1429 N PHE A 104 -6.673 9.854 4.009 1.00 0.00 N ATOM 1430 CA PHE A 104 -5.694 8.779 3.668 1.00 0.00 C ATOM 1431 C PHE A 104 -6.252 7.896 2.547 1.00 0.00 C ATOM 1432 O PHE A 104 -7.429 7.932 2.244 1.00 0.00 O ATOM 1433 CB PHE A 104 -5.523 7.959 4.954 1.00 0.00 C ATOM 1434 CG PHE A 104 -5.559 8.867 6.164 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -4.656 9.930 6.271 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -6.498 8.643 7.179 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -4.691 10.771 7.390 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -6.533 9.483 8.299 1.00 0.00 C ATOM 1439 CZ PHE A 104 -5.630 10.547 8.404 1.00 0.00 C ATOM 0 HA PHE A 104 -4.746 9.187 3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.315 7.214 5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.578 7.417 4.925 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.931 10.102 5.489 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.195 7.822 7.098 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.994 11.592 7.471 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -7.257 9.310 9.082 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.657 11.195 9.267 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.420 7.097 1.936 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.911 6.203 0.841 1.00 0.00 C ATOM 1451 C LEU A 105 -6.004 4.760 1.369 1.00 0.00 C ATOM 1452 O LEU A 105 -5.539 4.468 2.451 1.00 0.00 O ATOM 1453 CB LEU A 105 -4.876 6.357 -0.295 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.863 5.208 -0.280 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -4.347 4.093 -1.208 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.506 5.722 -0.769 1.00 0.00 C ATOM 0 H LEU A 105 -4.424 7.022 2.145 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.907 6.458 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.388 6.381 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.353 7.308 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.764 4.822 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.628 3.274 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.315 3.729 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.443 4.480 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.783 4.906 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.607 6.106 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.161 6.520 -0.112 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.618 3.859 0.641 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.740 2.456 1.155 1.00 0.00 C ATOM 1470 C TYR A 106 -6.050 1.447 0.226 1.00 0.00 C ATOM 1471 O TYR A 106 -6.305 1.409 -0.962 1.00 0.00 O ATOM 1472 CB TYR A 106 -8.246 2.188 1.202 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.696 2.069 2.638 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -8.243 2.987 3.593 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -9.569 1.040 3.015 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -8.662 2.876 4.924 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -9.989 0.930 4.346 1.00 0.00 C ATOM 1478 CZ TYR A 106 -9.534 1.847 5.301 1.00 0.00 C ATOM 1479 OH TYR A 106 -9.948 1.739 6.613 1.00 0.00 O ATOM 0 H TYR A 106 -7.035 4.029 -0.274 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.260 2.346 2.127 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.785 2.996 0.708 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.479 1.271 0.660 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.570 3.781 3.303 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.918 0.331 2.279 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.313 3.584 5.661 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.664 0.138 4.636 1.00 0.00 H new ATOM 0 HH TYR A 106 -10.551 0.972 6.704 1.00 0.00 H new ATOM 1489 N ILE A 107 -5.190 0.613 0.764 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.502 -0.408 -0.086 1.00 0.00 C ATOM 1491 C ILE A 107 -4.417 -1.751 0.651 1.00 0.00 C ATOM 1492 O ILE A 107 -3.966 -1.822 1.777 1.00 0.00 O ATOM 1493 CB ILE A 107 -3.093 0.134 -0.326 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -3.166 1.601 -0.755 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -2.418 -0.687 -1.427 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.801 2.046 -1.284 1.00 0.00 C ATOM 0 H ILE A 107 -4.937 0.596 1.752 1.00 0.00 H new ATOM 0 HA ILE A 107 -5.042 -0.577 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.515 0.060 0.595 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.926 1.728 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.461 2.224 0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.413 -0.304 -1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.360 -1.731 -1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -3.000 -0.612 -2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.852 3.091 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.053 1.934 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.524 1.431 -2.140 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.827 -2.819 0.018 1.00 0.00 N ATOM 1509 CA ALA A 108 -4.747 -4.158 0.678 1.00 0.00 C ATOM 1510 C ALA A 108 -4.037 -5.129 -0.264 1.00 0.00 C ATOM 1511 O ALA A 108 -4.081 -4.961 -1.457 1.00 0.00 O ATOM 1512 CB ALA A 108 -6.197 -4.583 0.904 1.00 0.00 C ATOM 0 H ALA A 108 -5.213 -2.823 -0.926 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.193 -4.139 1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.219 -5.560 1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.695 -3.852 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.713 -4.640 -0.054 1.00 0.00 H new ATOM 1518 N TYR A 109 -3.377 -6.138 0.241 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.682 -7.073 -0.693 1.00 0.00 C ATOM 1520 C TYR A 109 -2.995 -8.530 -0.367 1.00 0.00 C ATOM 1521 O TYR A 109 -3.531 -8.853 0.674 1.00 0.00 O ATOM 1522 CB TYR A 109 -1.184 -6.802 -0.533 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.830 -6.573 0.917 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -1.126 -5.348 1.520 1.00 0.00 C ATOM 1525 CD2 TYR A 109 -0.186 -7.579 1.656 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -0.781 -5.126 2.856 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.155 -7.353 2.993 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.142 -6.126 3.593 1.00 0.00 C ATOM 1529 OH TYR A 109 0.196 -5.902 4.911 1.00 0.00 O ATOM 0 H TYR A 109 -3.289 -6.353 1.234 1.00 0.00 H new ATOM 0 HA TYR A 109 -3.016 -6.908 -1.717 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.614 -7.646 -0.922 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.903 -5.929 -1.122 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.621 -4.573 0.954 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.046 -8.526 1.192 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.009 -4.178 3.320 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.648 -8.127 3.562 1.00 0.00 H new ATOM 0 HH TYR A 109 -0.487 -5.340 5.333 1.00 0.00 H new ATOM 1539 N SER A 110 -2.655 -9.408 -1.269 1.00 0.00 N ATOM 1540 CA SER A 110 -2.920 -10.858 -1.044 1.00 0.00 C ATOM 1541 C SER A 110 -1.922 -11.705 -1.839 1.00 0.00 C ATOM 1542 O SER A 110 -1.063 -11.186 -2.525 1.00 0.00 O ATOM 1543 CB SER A 110 -4.341 -11.083 -1.559 1.00 0.00 C ATOM 1544 OG SER A 110 -4.973 -12.085 -0.773 1.00 0.00 O ATOM 0 H SER A 110 -2.203 -9.184 -2.156 1.00 0.00 H new ATOM 0 HA SER A 110 -2.815 -11.141 0.003 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.909 -10.154 -1.510 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.317 -11.387 -2.605 1.00 0.00 H new ATOM 0 HG SER A 110 -5.885 -12.230 -1.100 1.00 0.00 H new ATOM 1550 N ASP A 111 -2.025 -13.002 -1.751 1.00 0.00 N ATOM 1551 CA ASP A 111 -1.081 -13.878 -2.502 1.00 0.00 C ATOM 1552 C ASP A 111 -1.825 -14.628 -3.610 1.00 0.00 C ATOM 1553 O ASP A 111 -1.486 -15.743 -3.956 1.00 0.00 O ATOM 1554 CB ASP A 111 -0.534 -14.855 -1.461 1.00 0.00 C ATOM 1555 CG ASP A 111 -1.615 -15.877 -1.101 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -2.699 -15.457 -0.734 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -1.339 -17.060 -1.202 1.00 0.00 O ATOM 0 H ASP A 111 -2.722 -13.494 -1.192 1.00 0.00 H new ATOM 0 HA ASP A 111 -0.284 -13.312 -2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.347 -15.364 -1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -0.219 -14.314 -0.569 1.00 0.00 H new