USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 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 88 GLN : amide:sc= -0.509 K(o=-4.2,f=-6.4!) USER MOD Set 1.2: A 89 GLN : amide:sc= -3.68! K(o=-4.2!,f=-4.7) USER MOD Set 2.1: A 78 THR OG1 : rot -160:sc= 0.912 USER MOD Set 2.2: A 81 GLN : amide:sc= -0.866 K(o=0.046,f=0.94) USER MOD Set 3.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -4.11! C(o=-4.1!,f=-5.7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.065 K(o=-0.065,f=-0.77) USER MOD Single : A 27 LYS NZ :NH3+ -116:sc= -3.6! (180deg=-6.49!) USER MOD Single : A 29 SER OG : rot -6:sc= 1.01 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -7.04! C(o=-7!,f=-7.4!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -2.32 K(o=-2.3,f=-3.8!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 CYS SG : rot 76:sc= -1.04! USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0091 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.994 USER MOD Single : A 98 GLN : amide:sc= -3.96! C(o=-4!,f=-5.7!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -1.751 -9.552 -0.076 1.00 0.00 N ATOM 230 CA VAL A 17 -1.220 -8.232 0.219 1.00 0.00 C ATOM 231 C VAL A 17 -2.160 -7.514 1.188 1.00 0.00 C ATOM 232 O VAL A 17 -3.185 -8.064 1.587 1.00 0.00 O ATOM 233 CB VAL A 17 -0.994 -7.457 -1.081 1.00 0.00 C ATOM 234 CG1 VAL A 17 0.365 -7.799 -1.695 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.127 -7.715 -2.077 1.00 0.00 C ATOM 0 HA VAL A 17 -0.249 -8.311 0.708 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.994 -6.394 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.500 -7.235 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.157 -7.540 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.408 -8.866 -1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.942 -7.153 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.173 -8.779 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.074 -7.397 -1.641 1.00 0.00 H new ATOM 245 N GLU A 18 -1.778 -6.295 1.539 1.00 0.00 N ATOM 246 CA GLU A 18 -2.574 -5.495 2.455 1.00 0.00 C ATOM 247 C GLU A 18 -3.769 -4.882 1.722 1.00 0.00 C ATOM 248 O GLU A 18 -3.624 -3.888 1.013 1.00 0.00 O ATOM 249 CB GLU A 18 -1.723 -4.411 3.119 1.00 0.00 C ATOM 250 CG GLU A 18 -0.391 -4.982 3.607 1.00 0.00 C ATOM 251 CD GLU A 18 -0.316 -4.968 5.135 1.00 0.00 C ATOM 252 OE1 GLU A 18 -1.251 -5.520 5.755 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.675 -4.406 5.650 1.00 0.00 O ATOM 0 H GLU A 18 -0.927 -5.841 1.206 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.951 -6.147 3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.539 -3.603 2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.268 -3.980 3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.273 -6.003 3.243 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.432 -4.399 3.193 1.00 0.00 H new ATOM 260 N GLU A 19 -4.924 -5.501 1.918 1.00 0.00 N ATOM 261 CA GLU A 19 -6.144 -5.028 1.285 1.00 0.00 C ATOM 262 C GLU A 19 -6.177 -3.499 1.272 1.00 0.00 C ATOM 263 O GLU A 19 -5.510 -2.853 2.079 1.00 0.00 O ATOM 264 CB GLU A 19 -7.380 -5.597 1.983 1.00 0.00 C ATOM 265 CG GLU A 19 -7.990 -6.742 1.172 1.00 0.00 C ATOM 266 CD GLU A 19 -9.518 -6.717 1.250 1.00 0.00 C ATOM 267 OE1 GLU A 19 -10.049 -7.345 2.191 1.00 0.00 O ATOM 268 OE2 GLU A 19 -10.120 -6.069 0.366 1.00 0.00 O ATOM 0 H GLU A 19 -5.041 -6.326 2.506 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.155 -5.381 0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.109 -5.955 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.120 -4.809 2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.674 -6.664 0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.619 -7.696 1.547 1.00 0.00 H new ATOM 275 N PRO A 20 -6.981 -2.949 0.323 1.00 0.00 N ATOM 276 CA PRO A 20 -7.110 -1.508 0.194 1.00 0.00 C ATOM 277 C PRO A 20 -7.980 -0.933 1.313 1.00 0.00 C ATOM 278 O PRO A 20 -9.007 -1.511 1.665 1.00 0.00 O ATOM 279 CB PRO A 20 -7.699 -1.288 -1.190 1.00 0.00 C ATOM 280 CG PRO A 20 -8.309 -2.618 -1.600 1.00 0.00 C ATOM 281 CD PRO A 20 -7.786 -3.683 -0.650 1.00 0.00 C ATOM 0 HA PRO A 20 -6.156 -0.990 0.293 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.453 -0.501 -1.173 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.930 -0.977 -1.897 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.397 -2.569 -1.556 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.042 -2.860 -2.629 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.603 -4.217 -0.165 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.189 -4.426 -1.178 1.00 0.00 H new ATOM 289 N ARG A 21 -7.538 0.199 1.841 1.00 0.00 N ATOM 290 CA ARG A 21 -8.263 0.858 2.914 1.00 0.00 C ATOM 291 C ARG A 21 -8.837 2.190 2.426 1.00 0.00 C ATOM 292 O ARG A 21 -8.502 2.652 1.336 1.00 0.00 O ATOM 293 CB ARG A 21 -7.355 1.112 4.118 1.00 0.00 C ATOM 294 CG ARG A 21 -6.262 2.126 3.777 1.00 0.00 C ATOM 295 CD ARG A 21 -4.888 1.454 3.726 1.00 0.00 C ATOM 296 NE ARG A 21 -4.436 1.121 5.095 1.00 0.00 N ATOM 297 CZ ARG A 21 -3.375 0.351 5.370 1.00 0.00 C ATOM 298 NH1 ARG A 21 -2.649 -0.171 4.371 1.00 0.00 N ATOM 299 NH2 ARG A 21 -3.039 0.102 6.643 1.00 0.00 N ATOM 0 H ARG A 21 -6.687 0.677 1.546 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.075 0.198 3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.949 1.480 4.955 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.899 0.175 4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.479 2.591 2.815 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.254 2.922 4.522 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.939 0.549 3.121 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.167 2.117 3.247 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.966 1.502 5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.905 0.018 3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.841 -0.757 4.580 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.591 0.499 7.403 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.231 -0.484 6.852 1.00 0.00 H new ATOM 313 N HIS A 22 -9.690 2.771 3.257 1.00 0.00 N ATOM 314 CA HIS A 22 -10.312 4.041 2.924 1.00 0.00 C ATOM 315 C HIS A 22 -10.040 5.054 4.037 1.00 0.00 C ATOM 316 O HIS A 22 -10.882 5.266 4.908 1.00 0.00 O ATOM 317 CB HIS A 22 -11.805 3.857 2.642 1.00 0.00 C ATOM 318 CG HIS A 22 -12.101 2.977 1.451 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.564 1.710 1.302 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.885 3.194 0.356 1.00 0.00 C ATOM 321 CE1 HIS A 22 -12.009 1.198 0.165 1.00 0.00 C ATOM 322 NE2 HIS A 22 -12.828 2.119 -0.421 1.00 0.00 N ATOM 0 H HIS A 22 -9.965 2.385 4.160 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.874 4.435 2.007 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.281 3.429 3.524 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.257 4.835 2.479 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.455 4.089 0.155 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.766 0.222 -0.230 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.316 2.001 -1.309 1.00 0.00 H new ATOM 330 N VAL A 23 -8.860 5.653 3.972 1.00 0.00 N ATOM 331 CA VAL A 23 -8.465 6.638 4.964 1.00 0.00 C ATOM 332 C VAL A 23 -9.154 7.969 4.656 1.00 0.00 C ATOM 333 O VAL A 23 -9.117 8.444 3.522 1.00 0.00 O ATOM 334 CB VAL A 23 -6.940 6.751 5.013 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.502 7.857 5.975 1.00 0.00 C ATOM 336 CG2 VAL A 23 -6.303 5.412 5.389 1.00 0.00 C ATOM 0 H VAL A 23 -8.165 5.475 3.247 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.785 6.328 5.959 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.592 7.019 4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.414 7.916 5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.912 8.811 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.868 7.633 6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.219 5.520 5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.662 5.101 6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.574 4.660 4.648 1.00 0.00 H new ATOM 346 N LYS A 24 -9.766 8.535 5.686 1.00 0.00 N ATOM 347 CA LYS A 24 -10.462 9.802 5.539 1.00 0.00 C ATOM 348 C LYS A 24 -9.511 10.946 5.899 1.00 0.00 C ATOM 349 O LYS A 24 -8.517 10.736 6.592 1.00 0.00 O ATOM 350 CB LYS A 24 -11.757 9.800 6.354 1.00 0.00 C ATOM 351 CG LYS A 24 -12.950 9.396 5.486 1.00 0.00 C ATOM 352 CD LYS A 24 -14.263 9.531 6.261 1.00 0.00 C ATOM 353 CE LYS A 24 -15.420 9.879 5.323 1.00 0.00 C ATOM 354 NZ LYS A 24 -16.676 10.046 6.089 1.00 0.00 N ATOM 0 H LYS A 24 -9.794 8.139 6.626 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.765 9.952 4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.662 9.110 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.928 10.791 6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.984 10.022 4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.827 8.367 5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.480 8.598 6.781 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.162 10.304 7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.193 10.797 4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.543 9.092 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.451 10.282 5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.899 9.161 6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.561 10.813 6.782 1.00 0.00 H new ATOM 368 N VAL A 25 -9.850 12.130 5.411 1.00 0.00 N ATOM 369 CA VAL A 25 -9.039 13.307 5.672 1.00 0.00 C ATOM 370 C VAL A 25 -9.948 14.466 6.084 1.00 0.00 C ATOM 371 O VAL A 25 -10.973 14.713 5.450 1.00 0.00 O ATOM 372 CB VAL A 25 -8.176 13.629 4.450 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.194 14.761 4.756 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.440 12.383 3.955 1.00 0.00 C ATOM 0 H VAL A 25 -10.675 12.300 4.836 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.353 13.123 6.499 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.837 13.966 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.593 14.970 3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.748 15.656 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.541 14.464 5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.834 12.640 3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.795 12.002 4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.165 11.618 3.678 1.00 0.00 H new ATOM 384 N GLN A 26 -9.540 15.148 7.145 1.00 0.00 N ATOM 385 CA GLN A 26 -10.305 16.275 7.650 1.00 0.00 C ATOM 386 C GLN A 26 -9.573 17.587 7.358 1.00 0.00 C ATOM 387 O GLN A 26 -9.100 18.255 8.276 1.00 0.00 O ATOM 388 CB GLN A 26 -10.583 16.123 9.147 1.00 0.00 C ATOM 389 CG GLN A 26 -12.067 15.855 9.404 1.00 0.00 C ATOM 390 CD GLN A 26 -12.546 16.585 10.661 1.00 0.00 C ATOM 391 OE1 GLN A 26 -11.777 16.918 11.548 1.00 0.00 O ATOM 392 NE2 GLN A 26 -13.856 16.813 10.688 1.00 0.00 N ATOM 0 H GLN A 26 -8.689 14.941 7.668 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.266 16.296 7.136 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.987 15.304 9.550 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.277 17.028 9.671 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.653 16.180 8.545 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.233 14.784 9.516 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.443 16.508 9.912 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.274 17.293 11.485 1.00 0.00 H new ATOM 401 N LYS A 27 -9.503 17.916 6.077 1.00 0.00 N ATOM 402 CA LYS A 27 -8.836 19.135 5.653 1.00 0.00 C ATOM 403 C LYS A 27 -9.437 20.326 6.402 1.00 0.00 C ATOM 404 O LYS A 27 -8.866 20.797 7.385 1.00 0.00 O ATOM 405 CB LYS A 27 -8.893 19.275 4.130 1.00 0.00 C ATOM 406 CG LYS A 27 -7.512 19.602 3.558 1.00 0.00 C ATOM 407 CD LYS A 27 -6.782 18.329 3.125 1.00 0.00 C ATOM 408 CE LYS A 27 -6.573 18.306 1.609 1.00 0.00 C ATOM 409 NZ LYS A 27 -7.100 17.048 1.033 1.00 0.00 N ATOM 0 H LYS A 27 -9.897 17.360 5.319 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.777 19.098 5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.263 18.349 3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.598 20.061 3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.617 20.273 2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.920 20.128 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.818 18.269 3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.357 17.454 3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.075 19.160 1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.511 18.401 1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.318 16.501 0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.557 16.488 1.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.796 17.270 0.293 1.00 0.00 H new ATOM 423 N GLY A 28 -10.580 20.779 5.910 1.00 0.00 N ATOM 424 CA GLY A 28 -11.264 21.907 6.521 1.00 0.00 C ATOM 425 C GLY A 28 -10.801 23.228 5.904 1.00 0.00 C ATOM 426 O GLY A 28 -11.565 23.892 5.205 1.00 0.00 O ATOM 0 H GLY A 28 -11.050 20.386 5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.341 21.798 6.391 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.072 21.916 7.594 1.00 0.00 H new ATOM 430 N SER A 29 -9.552 23.570 6.185 1.00 0.00 N ATOM 431 CA SER A 29 -8.979 24.801 5.667 1.00 0.00 C ATOM 432 C SER A 29 -7.455 24.767 5.806 1.00 0.00 C ATOM 433 O SER A 29 -6.836 25.778 6.131 1.00 0.00 O ATOM 434 CB SER A 29 -9.550 26.022 6.390 1.00 0.00 C ATOM 435 OG SER A 29 -10.937 26.205 6.114 1.00 0.00 O ATOM 0 H SER A 29 -8.921 23.016 6.764 1.00 0.00 H new ATOM 0 HA SER A 29 -9.241 24.882 4.612 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.406 25.908 7.464 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.999 26.913 6.088 1.00 0.00 H new ATOM 0 HG SER A 29 -11.221 25.565 5.428 1.00 0.00 H new ATOM 441 N GLU A 30 -6.896 23.593 5.552 1.00 0.00 N ATOM 442 CA GLU A 30 -5.457 23.414 5.644 1.00 0.00 C ATOM 443 C GLU A 30 -4.950 22.571 4.472 1.00 0.00 C ATOM 444 O GLU A 30 -5.730 21.883 3.815 1.00 0.00 O ATOM 445 CB GLU A 30 -5.068 22.783 6.982 1.00 0.00 C ATOM 446 CG GLU A 30 -4.911 23.850 8.067 1.00 0.00 C ATOM 447 CD GLU A 30 -5.698 23.473 9.325 1.00 0.00 C ATOM 448 OE1 GLU A 30 -6.933 23.662 9.299 1.00 0.00 O ATOM 449 OE2 GLU A 30 -5.045 23.005 10.283 1.00 0.00 O ATOM 0 H GLU A 30 -7.414 22.756 5.283 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.985 24.395 5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.829 22.063 7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.134 22.233 6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.856 23.969 8.315 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.260 24.811 7.690 1.00 0.00 H new ATOM 456 N PRO A 31 -3.613 22.654 4.240 1.00 0.00 N ATOM 457 CA PRO A 31 -2.993 21.907 3.159 1.00 0.00 C ATOM 458 C PRO A 31 -2.875 20.424 3.515 1.00 0.00 C ATOM 459 O PRO A 31 -3.165 20.027 4.642 1.00 0.00 O ATOM 460 CB PRO A 31 -1.646 22.575 2.941 1.00 0.00 C ATOM 461 CG PRO A 31 -1.364 23.369 4.207 1.00 0.00 C ATOM 462 CD PRO A 31 -2.659 23.458 4.998 1.00 0.00 C ATOM 0 HA PRO A 31 -3.583 21.924 2.243 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.867 21.834 2.763 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.670 23.227 2.068 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.588 22.883 4.798 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.998 24.366 3.959 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.532 23.073 6.010 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.996 24.490 5.090 1.00 0.00 H new ATOM 470 N LEU A 32 -2.446 19.645 2.532 1.00 0.00 N ATOM 471 CA LEU A 32 -2.286 18.214 2.728 1.00 0.00 C ATOM 472 C LEU A 32 -0.874 17.930 3.245 1.00 0.00 C ATOM 473 O LEU A 32 -0.707 17.284 4.279 1.00 0.00 O ATOM 474 CB LEU A 32 -2.635 17.455 1.446 1.00 0.00 C ATOM 475 CG LEU A 32 -3.088 16.005 1.626 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.413 15.936 2.389 1.00 0.00 C ATOM 477 CD2 LEU A 32 -3.163 15.283 0.280 1.00 0.00 C ATOM 0 H LEU A 32 -2.205 19.978 1.598 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.983 17.853 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.425 18.000 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.762 17.463 0.794 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.342 15.486 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.713 14.894 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.290 16.389 3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.181 16.476 1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.487 14.254 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.876 15.794 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.179 15.286 -0.190 1.00 0.00 H new ATOM 489 N GLY A 33 0.105 18.426 2.503 1.00 0.00 N ATOM 490 CA GLY A 33 1.496 18.233 2.874 1.00 0.00 C ATOM 491 C GLY A 33 1.926 16.781 2.659 1.00 0.00 C ATOM 492 O GLY A 33 2.287 16.089 3.609 1.00 0.00 O ATOM 0 H GLY A 33 -0.038 18.961 1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.129 18.894 2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.638 18.507 3.919 1.00 0.00 H new ATOM 496 N ILE A 34 1.871 16.361 1.403 1.00 0.00 N ATOM 497 CA ILE A 34 2.250 15.004 1.050 1.00 0.00 C ATOM 498 C ILE A 34 2.984 15.016 -0.292 1.00 0.00 C ATOM 499 O ILE A 34 2.663 15.814 -1.172 1.00 0.00 O ATOM 500 CB ILE A 34 1.028 14.083 1.075 1.00 0.00 C ATOM 501 CG1 ILE A 34 -0.127 14.683 0.270 1.00 0.00 C ATOM 502 CG2 ILE A 34 0.616 13.756 2.512 1.00 0.00 C ATOM 503 CD1 ILE A 34 -0.775 13.629 -0.629 1.00 0.00 C ATOM 0 H ILE A 34 1.569 16.937 0.617 1.00 0.00 H new ATOM 0 HA ILE A 34 2.942 14.598 1.788 1.00 0.00 H new ATOM 0 HB ILE A 34 1.300 13.142 0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.873 15.095 0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.240 15.509 -0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.255 13.100 2.501 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.440 13.257 3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.369 14.678 3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.593 14.082 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.032 13.237 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.163 12.816 -0.015 1.00 0.00 H new ATOM 515 N SER A 35 3.955 14.122 -0.408 1.00 0.00 N ATOM 516 CA SER A 35 4.737 14.020 -1.628 1.00 0.00 C ATOM 517 C SER A 35 4.360 12.746 -2.386 1.00 0.00 C ATOM 518 O SER A 35 4.112 11.707 -1.776 1.00 0.00 O ATOM 519 CB SER A 35 6.237 14.033 -1.324 1.00 0.00 C ATOM 520 OG SER A 35 7.009 14.399 -2.464 1.00 0.00 O ATOM 0 H SER A 35 4.218 13.461 0.323 1.00 0.00 H new ATOM 0 HA SER A 35 4.513 14.886 -2.251 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.436 14.732 -0.512 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.546 13.046 -0.979 1.00 0.00 H new ATOM 0 HG SER A 35 7.960 14.397 -2.229 1.00 0.00 H new ATOM 526 N ILE A 36 4.328 12.868 -3.705 1.00 0.00 N ATOM 527 CA ILE A 36 3.985 11.739 -4.553 1.00 0.00 C ATOM 528 C ILE A 36 4.978 11.659 -5.714 1.00 0.00 C ATOM 529 O ILE A 36 5.593 12.659 -6.080 1.00 0.00 O ATOM 530 CB ILE A 36 2.524 11.827 -4.998 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.291 13.059 -5.875 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.581 11.795 -3.793 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.429 12.709 -7.358 1.00 0.00 C ATOM 0 H ILE A 36 4.534 13.732 -4.207 1.00 0.00 H new ATOM 0 HA ILE A 36 4.068 10.805 -3.997 1.00 0.00 H new ATOM 0 HB ILE A 36 2.299 10.951 -5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.297 13.463 -5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.008 13.837 -5.613 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.549 11.859 -4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.724 10.864 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.798 12.639 -3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.259 13.602 -7.960 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.432 12.328 -7.550 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.695 11.948 -7.622 1.00 0.00 H new ATOM 545 N VAL A 37 5.104 10.459 -6.262 1.00 0.00 N ATOM 546 CA VAL A 37 6.011 10.235 -7.375 1.00 0.00 C ATOM 547 C VAL A 37 5.356 9.284 -8.378 1.00 0.00 C ATOM 548 O VAL A 37 4.469 8.512 -8.019 1.00 0.00 O ATOM 549 CB VAL A 37 7.357 9.724 -6.857 1.00 0.00 C ATOM 550 CG1 VAL A 37 7.898 10.629 -5.749 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.245 8.275 -6.377 1.00 0.00 C ATOM 0 H VAL A 37 4.593 9.631 -5.956 1.00 0.00 H new ATOM 0 HA VAL A 37 6.212 11.170 -7.898 1.00 0.00 H new ATOM 0 HB VAL A 37 8.066 9.749 -7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.855 10.243 -5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.034 11.638 -6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.191 10.652 -4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.215 7.936 -6.014 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.514 8.214 -5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.926 7.641 -7.204 1.00 0.00 H new ATOM 561 N SER A 38 5.818 9.372 -9.617 1.00 0.00 N ATOM 562 CA SER A 38 5.289 8.529 -10.675 1.00 0.00 C ATOM 563 C SER A 38 6.329 7.483 -11.081 1.00 0.00 C ATOM 564 O SER A 38 7.529 7.751 -11.050 1.00 0.00 O ATOM 565 CB SER A 38 4.873 9.364 -11.888 1.00 0.00 C ATOM 566 OG SER A 38 4.354 8.555 -12.940 1.00 0.00 O ATOM 0 H SER A 38 6.553 10.015 -9.911 1.00 0.00 H new ATOM 0 HA SER A 38 4.402 8.021 -10.296 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.121 10.092 -11.586 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.732 9.926 -12.253 1.00 0.00 H new ATOM 0 HG SER A 38 4.098 9.125 -13.695 1.00 0.00 H new ATOM 572 N GLY A 39 5.831 6.313 -11.453 1.00 0.00 N ATOM 573 CA GLY A 39 6.702 5.226 -11.866 1.00 0.00 C ATOM 574 C GLY A 39 6.719 5.084 -13.389 1.00 0.00 C ATOM 575 O GLY A 39 5.790 5.520 -14.067 1.00 0.00 O ATOM 0 H GLY A 39 4.835 6.094 -11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.714 5.408 -11.503 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.364 4.293 -11.414 1.00 0.00 H new ATOM 623 N GLY A 43 1.247 4.726 -12.037 1.00 0.00 N ATOM 624 CA GLY A 43 0.901 4.658 -10.628 1.00 0.00 C ATOM 625 C GLY A 43 1.558 5.797 -9.846 1.00 0.00 C ATOM 626 O GLY A 43 2.548 6.373 -10.295 1.00 0.00 O ATOM 0 HA2 GLY A 43 -0.182 4.710 -10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.219 3.700 -10.218 1.00 0.00 H new ATOM 630 N ILE A 44 0.982 6.087 -8.688 1.00 0.00 N ATOM 631 CA ILE A 44 1.499 7.147 -7.839 1.00 0.00 C ATOM 632 C ILE A 44 1.878 6.563 -6.476 1.00 0.00 C ATOM 633 O ILE A 44 1.102 5.819 -5.879 1.00 0.00 O ATOM 634 CB ILE A 44 0.501 8.303 -7.758 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.310 8.960 -9.126 1.00 0.00 C ATOM 636 CG2 ILE A 44 0.922 9.316 -6.690 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.517 9.825 -9.493 1.00 0.00 C ATOM 0 H ILE A 44 0.162 5.606 -8.318 1.00 0.00 H new ATOM 0 HA ILE A 44 2.407 7.571 -8.268 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.466 7.899 -7.457 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.165 8.191 -9.885 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.591 9.573 -9.116 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.196 10.128 -6.652 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.966 8.823 -5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.904 9.719 -6.938 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.355 10.280 -10.470 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.645 10.607 -8.745 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.413 9.205 -9.526 1.00 0.00 H new ATOM 649 N TYR A 45 3.070 6.923 -6.025 1.00 0.00 N ATOM 650 CA TYR A 45 3.561 6.445 -4.744 1.00 0.00 C ATOM 651 C TYR A 45 3.954 7.613 -3.836 1.00 0.00 C ATOM 652 O TYR A 45 4.557 8.582 -4.293 1.00 0.00 O ATOM 653 CB TYR A 45 4.807 5.613 -5.053 1.00 0.00 C ATOM 654 CG TYR A 45 4.535 4.383 -5.921 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.561 4.490 -7.297 1.00 0.00 C ATOM 656 CD2 TYR A 45 4.262 3.167 -5.328 1.00 0.00 C ATOM 657 CE1 TYR A 45 4.305 3.332 -8.113 1.00 0.00 C ATOM 658 CE2 TYR A 45 4.006 2.009 -6.145 1.00 0.00 C ATOM 659 CZ TYR A 45 4.040 2.149 -7.497 1.00 0.00 C ATOM 660 OH TYR A 45 3.798 1.055 -8.269 1.00 0.00 O ATOM 0 H TYR A 45 3.711 7.540 -6.524 1.00 0.00 H new ATOM 0 HA TYR A 45 2.792 5.870 -4.229 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.538 6.246 -5.556 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.258 5.290 -4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.773 5.442 -7.761 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.240 3.084 -4.251 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.323 3.401 -9.191 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.792 1.051 -5.694 1.00 0.00 H new ATOM 0 HH TYR A 45 3.625 0.281 -7.694 1.00 0.00 H new ATOM 670 N VAL A 46 3.596 7.481 -2.567 1.00 0.00 N ATOM 671 CA VAL A 46 3.903 8.513 -1.592 1.00 0.00 C ATOM 672 C VAL A 46 5.418 8.582 -1.390 1.00 0.00 C ATOM 673 O VAL A 46 6.052 7.579 -1.067 1.00 0.00 O ATOM 674 CB VAL A 46 3.138 8.250 -0.293 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.678 9.117 0.846 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.637 8.471 -0.487 1.00 0.00 C ATOM 0 H VAL A 46 3.096 6.675 -2.192 1.00 0.00 H new ATOM 0 HA VAL A 46 3.578 9.489 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 46 3.290 7.206 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.117 8.911 1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.731 8.889 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.571 10.170 0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.117 8.277 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.458 9.501 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.266 7.792 -1.255 1.00 0.00 H new ATOM 686 N SER A 47 5.955 9.777 -1.588 1.00 0.00 N ATOM 687 CA SER A 47 7.384 9.991 -1.432 1.00 0.00 C ATOM 688 C SER A 47 7.684 10.510 -0.024 1.00 0.00 C ATOM 689 O SER A 47 8.794 10.343 0.479 1.00 0.00 O ATOM 690 CB SER A 47 7.913 10.969 -2.483 1.00 0.00 C ATOM 691 OG SER A 47 9.046 11.695 -2.014 1.00 0.00 O ATOM 0 H SER A 47 5.426 10.607 -1.855 1.00 0.00 H new ATOM 0 HA SER A 47 7.891 9.037 -1.576 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.182 10.421 -3.386 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.123 11.668 -2.758 1.00 0.00 H new ATOM 0 HG SER A 47 9.355 12.307 -2.714 1.00 0.00 H new ATOM 697 N LYS A 48 6.676 11.131 0.571 1.00 0.00 N ATOM 698 CA LYS A 48 6.818 11.676 1.910 1.00 0.00 C ATOM 699 C LYS A 48 5.479 12.260 2.363 1.00 0.00 C ATOM 700 O LYS A 48 4.535 12.340 1.578 1.00 0.00 O ATOM 701 CB LYS A 48 7.975 12.677 1.961 1.00 0.00 C ATOM 702 CG LYS A 48 8.616 12.703 3.350 1.00 0.00 C ATOM 703 CD LYS A 48 10.080 12.263 3.286 1.00 0.00 C ATOM 704 CE LYS A 48 10.382 11.207 4.352 1.00 0.00 C ATOM 705 NZ LYS A 48 11.215 11.783 5.431 1.00 0.00 N ATOM 0 H LYS A 48 5.757 11.269 0.150 1.00 0.00 H new ATOM 0 HA LYS A 48 7.077 10.888 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.724 12.411 1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.611 13.672 1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.553 13.709 3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.064 12.046 4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.300 11.860 2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.730 13.126 3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.450 10.825 4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.898 10.361 3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.411 11.053 6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.112 12.126 5.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.709 12.575 5.875 1.00 0.00 H new ATOM 719 N VAL A 49 5.439 12.653 3.628 1.00 0.00 N ATOM 720 CA VAL A 49 4.231 13.227 4.195 1.00 0.00 C ATOM 721 C VAL A 49 4.605 14.140 5.364 1.00 0.00 C ATOM 722 O VAL A 49 5.215 13.694 6.335 1.00 0.00 O ATOM 723 CB VAL A 49 3.259 12.114 4.594 1.00 0.00 C ATOM 724 CG1 VAL A 49 3.976 11.019 5.386 1.00 0.00 C ATOM 725 CG2 VAL A 49 2.075 12.676 5.383 1.00 0.00 C ATOM 0 H VAL A 49 6.224 12.585 4.276 1.00 0.00 H new ATOM 0 HA VAL A 49 3.717 13.840 3.455 1.00 0.00 H new ATOM 0 HB VAL A 49 2.869 11.666 3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.263 10.240 5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.769 10.588 4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.407 11.447 6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.400 11.864 5.654 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.439 13.163 6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.541 13.402 4.770 1.00 0.00 H new ATOM 735 N THR A 50 4.225 15.403 5.232 1.00 0.00 N ATOM 736 CA THR A 50 4.513 16.383 6.266 1.00 0.00 C ATOM 737 C THR A 50 3.913 15.941 7.602 1.00 0.00 C ATOM 738 O THR A 50 2.889 15.261 7.632 1.00 0.00 O ATOM 739 CB THR A 50 3.996 17.741 5.787 1.00 0.00 C ATOM 740 OG1 THR A 50 4.889 18.101 4.736 1.00 0.00 O ATOM 741 CG2 THR A 50 4.187 18.842 6.832 1.00 0.00 C ATOM 0 H THR A 50 3.720 15.770 4.425 1.00 0.00 H new ATOM 0 HA THR A 50 5.585 16.470 6.441 1.00 0.00 H new ATOM 0 HB THR A 50 2.939 17.659 5.536 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.626 18.970 4.366 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.804 19.785 6.442 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.646 18.579 7.741 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.248 18.948 7.059 1.00 0.00 H new ATOM 749 N VAL A 51 4.578 16.345 8.675 1.00 0.00 N ATOM 750 CA VAL A 51 4.123 16.000 10.011 1.00 0.00 C ATOM 751 C VAL A 51 3.241 17.127 10.552 1.00 0.00 C ATOM 752 O VAL A 51 3.585 18.301 10.431 1.00 0.00 O ATOM 753 CB VAL A 51 5.323 15.695 10.910 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.009 16.985 11.364 1.00 0.00 C ATOM 755 CG2 VAL A 51 4.907 14.844 12.111 1.00 0.00 C ATOM 0 H VAL A 51 5.428 16.908 8.646 1.00 0.00 H new ATOM 0 HA VAL A 51 3.515 15.096 9.986 1.00 0.00 H new ATOM 0 HB VAL A 51 6.042 15.120 10.326 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.859 16.740 12.002 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.357 17.538 10.492 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.300 17.597 11.922 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.779 14.642 12.733 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.160 15.381 12.696 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.485 13.902 11.761 1.00 0.00 H new ATOM 765 N GLY A 52 2.121 16.729 11.138 1.00 0.00 N ATOM 766 CA GLY A 52 1.188 17.691 11.699 1.00 0.00 C ATOM 767 C GLY A 52 0.167 18.139 10.651 1.00 0.00 C ATOM 768 O GLY A 52 -0.977 18.444 10.984 1.00 0.00 O ATOM 0 H GLY A 52 1.839 15.754 11.236 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.671 17.248 12.550 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.734 18.557 12.074 1.00 0.00 H new ATOM 772 N SER A 53 0.617 18.164 9.405 1.00 0.00 N ATOM 773 CA SER A 53 -0.243 18.569 8.306 1.00 0.00 C ATOM 774 C SER A 53 -1.446 17.630 8.210 1.00 0.00 C ATOM 775 O SER A 53 -1.433 16.538 8.776 1.00 0.00 O ATOM 776 CB SER A 53 0.525 18.585 6.983 1.00 0.00 C ATOM 777 OG SER A 53 0.936 19.900 6.620 1.00 0.00 O ATOM 0 H SER A 53 1.566 17.910 9.132 1.00 0.00 H new ATOM 0 HA SER A 53 -0.595 19.582 8.503 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.401 17.941 7.064 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.103 18.171 6.194 1.00 0.00 H new ATOM 0 HG SER A 53 1.424 19.867 5.771 1.00 0.00 H new ATOM 783 N ILE A 54 -2.459 18.089 7.489 1.00 0.00 N ATOM 784 CA ILE A 54 -3.668 17.304 7.311 1.00 0.00 C ATOM 785 C ILE A 54 -3.293 15.833 7.122 1.00 0.00 C ATOM 786 O ILE A 54 -3.731 14.973 7.884 1.00 0.00 O ATOM 787 CB ILE A 54 -4.515 17.874 6.172 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.962 19.304 6.483 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.700 16.959 5.858 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.882 19.337 7.705 1.00 0.00 C ATOM 0 H ILE A 54 -2.467 18.995 7.021 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.294 17.362 8.202 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.896 17.918 5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.089 19.931 6.664 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.481 19.722 5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.285 17.388 5.045 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.333 15.977 5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.328 16.860 6.744 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.185 20.365 7.904 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.766 18.729 7.512 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.351 18.941 8.571 1.00 0.00 H new ATOM 802 N ALA A 55 -2.485 15.589 6.100 1.00 0.00 N ATOM 803 CA ALA A 55 -2.045 14.236 5.801 1.00 0.00 C ATOM 804 C ALA A 55 -1.774 13.491 7.109 1.00 0.00 C ATOM 805 O ALA A 55 -2.504 12.567 7.464 1.00 0.00 O ATOM 806 CB ALA A 55 -0.814 14.289 4.894 1.00 0.00 C ATOM 0 H ALA A 55 -2.124 16.305 5.469 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.821 13.689 5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.484 13.275 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.067 14.802 3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.013 14.828 5.399 1.00 0.00 H new ATOM 812 N HIS A 56 -0.723 13.921 7.791 1.00 0.00 N ATOM 813 CA HIS A 56 -0.347 13.306 9.053 1.00 0.00 C ATOM 814 C HIS A 56 -1.606 12.964 9.852 1.00 0.00 C ATOM 815 O HIS A 56 -1.832 11.804 10.195 1.00 0.00 O ATOM 816 CB HIS A 56 0.622 14.203 9.827 1.00 0.00 C ATOM 817 CG HIS A 56 1.629 13.445 10.658 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.504 13.286 12.027 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.778 12.803 10.300 1.00 0.00 C ATOM 820 CE1 HIS A 56 2.537 12.580 12.463 1.00 0.00 C ATOM 821 NE2 HIS A 56 3.326 12.282 11.391 1.00 0.00 N ATOM 0 H HIS A 56 -0.120 14.688 7.494 1.00 0.00 H new ATOM 0 HA HIS A 56 0.185 12.374 8.864 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.155 14.840 9.121 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.049 14.861 10.480 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.175 12.731 9.298 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.722 12.291 13.487 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.194 11.747 11.423 1.00 0.00 H new ATOM 829 N GLN A 57 -2.392 13.994 10.127 1.00 0.00 N ATOM 830 CA GLN A 57 -3.622 13.817 10.880 1.00 0.00 C ATOM 831 C GLN A 57 -4.421 12.638 10.322 1.00 0.00 C ATOM 832 O GLN A 57 -4.927 11.812 11.080 1.00 0.00 O ATOM 833 CB GLN A 57 -4.458 15.098 10.873 1.00 0.00 C ATOM 834 CG GLN A 57 -3.585 16.325 11.147 1.00 0.00 C ATOM 835 CD GLN A 57 -4.427 17.491 11.671 1.00 0.00 C ATOM 836 OE1 GLN A 57 -5.546 17.723 11.245 1.00 0.00 O ATOM 837 NE2 GLN A 57 -3.827 18.209 12.616 1.00 0.00 N ATOM 0 H GLN A 57 -2.201 14.955 9.842 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.363 13.597 11.916 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.953 15.208 9.908 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.242 15.029 11.628 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.814 16.072 11.875 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.073 16.623 10.232 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.888 17.960 12.927 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.306 19.009 13.030 1.00 0.00 H new ATOM 846 N ALA A 58 -4.510 12.597 9.001 1.00 0.00 N ATOM 847 CA ALA A 58 -5.238 11.532 8.332 1.00 0.00 C ATOM 848 C ALA A 58 -4.584 10.189 8.659 1.00 0.00 C ATOM 849 O ALA A 58 -5.275 9.203 8.913 1.00 0.00 O ATOM 850 CB ALA A 58 -5.281 11.809 6.828 1.00 0.00 C ATOM 0 H ALA A 58 -4.090 13.284 8.375 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.268 11.491 8.685 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.827 11.010 6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.782 12.760 6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.264 11.855 6.437 1.00 0.00 H new ATOM 856 N GLY A 59 -3.259 10.192 8.643 1.00 0.00 N ATOM 857 CA GLY A 59 -2.504 8.986 8.935 1.00 0.00 C ATOM 858 C GLY A 59 -1.945 8.366 7.652 1.00 0.00 C ATOM 859 O GLY A 59 -2.020 7.153 7.461 1.00 0.00 O ATOM 0 H GLY A 59 -2.689 11.011 8.432 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.686 9.220 9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.145 8.265 9.442 1.00 0.00 H new ATOM 863 N LEU A 60 -1.397 9.226 6.807 1.00 0.00 N ATOM 864 CA LEU A 60 -0.826 8.778 5.548 1.00 0.00 C ATOM 865 C LEU A 60 0.609 8.301 5.785 1.00 0.00 C ATOM 866 O LEU A 60 1.241 8.688 6.767 1.00 0.00 O ATOM 867 CB LEU A 60 -0.942 9.873 4.486 1.00 0.00 C ATOM 868 CG LEU A 60 -2.275 9.943 3.738 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.324 11.164 2.818 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.547 8.642 2.980 1.00 0.00 C ATOM 0 H LEU A 60 -1.336 10.231 6.969 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.385 7.928 5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.766 10.836 4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.145 9.729 3.756 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.073 10.061 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.282 11.190 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.208 12.071 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.517 11.102 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.500 8.718 2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.750 8.468 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.585 7.811 3.685 1.00 0.00 H new ATOM 882 N GLU A 61 1.081 7.468 4.869 1.00 0.00 N ATOM 883 CA GLU A 61 2.429 6.935 4.966 1.00 0.00 C ATOM 884 C GLU A 61 3.029 6.752 3.571 1.00 0.00 C ATOM 885 O GLU A 61 2.315 6.818 2.571 1.00 0.00 O ATOM 886 CB GLU A 61 2.443 5.618 5.746 1.00 0.00 C ATOM 887 CG GLU A 61 1.540 4.578 5.081 1.00 0.00 C ATOM 888 CD GLU A 61 1.381 3.342 5.969 1.00 0.00 C ATOM 889 OE1 GLU A 61 1.292 3.536 7.201 1.00 0.00 O ATOM 890 OE2 GLU A 61 1.351 2.231 5.397 1.00 0.00 O ATOM 0 H GLU A 61 0.554 7.149 4.056 1.00 0.00 H new ATOM 0 HA GLU A 61 3.043 7.650 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.462 5.236 5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.110 5.793 6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.562 5.015 4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.962 4.287 4.119 1.00 0.00 H new ATOM 897 N TYR A 62 4.334 6.526 3.548 1.00 0.00 N ATOM 898 CA TYR A 62 5.038 6.333 2.291 1.00 0.00 C ATOM 899 C TYR A 62 4.875 4.898 1.786 1.00 0.00 C ATOM 900 O TYR A 62 4.651 3.980 2.574 1.00 0.00 O ATOM 901 CB TYR A 62 6.516 6.590 2.592 1.00 0.00 C ATOM 902 CG TYR A 62 7.439 6.395 1.388 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.640 5.132 0.869 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.072 7.483 0.821 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.509 4.949 -0.264 1.00 0.00 C ATOM 906 CE2 TYR A 62 8.941 7.299 -0.312 1.00 0.00 C ATOM 907 CZ TYR A 62 9.117 6.042 -0.799 1.00 0.00 C ATOM 908 OH TYR A 62 9.937 5.869 -1.870 1.00 0.00 O ATOM 0 H TYR A 62 4.923 6.472 4.379 1.00 0.00 H new ATOM 0 HA TYR A 62 4.645 7.001 1.524 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.629 7.609 2.962 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.835 5.923 3.393 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.145 4.281 1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.915 8.471 1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.675 3.966 -0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.442 8.141 -0.765 1.00 0.00 H new ATOM 0 HH TYR A 62 10.301 6.736 -2.147 1.00 0.00 H new ATOM 918 N GLY A 63 4.994 4.749 0.475 1.00 0.00 N ATOM 919 CA GLY A 63 4.863 3.441 -0.145 1.00 0.00 C ATOM 920 C GLY A 63 3.390 3.058 -0.309 1.00 0.00 C ATOM 921 O GLY A 63 3.076 2.028 -0.905 1.00 0.00 O ATOM 0 H GLY A 63 5.180 5.512 -0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.352 3.445 -1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.372 2.693 0.464 1.00 0.00 H new ATOM 925 N ASP A 64 2.527 3.907 0.229 1.00 0.00 N ATOM 926 CA ASP A 64 1.096 3.670 0.149 1.00 0.00 C ATOM 927 C ASP A 64 0.587 4.107 -1.226 1.00 0.00 C ATOM 928 O ASP A 64 0.268 5.277 -1.431 1.00 0.00 O ATOM 929 CB ASP A 64 0.344 4.477 1.209 1.00 0.00 C ATOM 930 CG ASP A 64 -0.405 3.640 2.248 1.00 0.00 C ATOM 931 OD1 ASP A 64 -0.022 2.461 2.410 1.00 0.00 O ATOM 932 OD2 ASP A 64 -1.343 4.198 2.857 1.00 0.00 O ATOM 0 H ASP A 64 2.791 4.760 0.722 1.00 0.00 H new ATOM 0 HA ASP A 64 0.921 2.607 0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.056 5.120 1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.370 5.131 0.708 1.00 0.00 H new ATOM 937 N GLN A 65 0.527 3.143 -2.133 1.00 0.00 N ATOM 938 CA GLN A 65 0.062 3.413 -3.483 1.00 0.00 C ATOM 939 C GLN A 65 -1.371 3.948 -3.454 1.00 0.00 C ATOM 940 O GLN A 65 -2.277 3.278 -2.961 1.00 0.00 O ATOM 941 CB GLN A 65 0.163 2.163 -4.359 1.00 0.00 C ATOM 942 CG GLN A 65 0.446 2.535 -5.816 1.00 0.00 C ATOM 943 CD GLN A 65 -0.154 1.501 -6.772 1.00 0.00 C ATOM 944 OE1 GLN A 65 -0.016 0.302 -6.596 1.00 0.00 O ATOM 945 NE2 GLN A 65 -0.826 2.032 -7.790 1.00 0.00 N ATOM 0 H GLN A 65 0.793 2.174 -1.959 1.00 0.00 H new ATOM 0 HA GLN A 65 0.705 4.176 -3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.956 1.516 -3.985 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.766 1.596 -4.299 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.030 3.519 -6.031 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.522 2.602 -5.976 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.903 3.045 -7.877 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.265 1.426 -8.483 1.00 0.00 H new ATOM 954 N LEU A 66 -1.531 5.150 -3.989 1.00 0.00 N ATOM 955 CA LEU A 66 -2.839 5.782 -4.030 1.00 0.00 C ATOM 956 C LEU A 66 -3.658 5.175 -5.171 1.00 0.00 C ATOM 957 O LEU A 66 -3.452 5.512 -6.336 1.00 0.00 O ATOM 958 CB LEU A 66 -2.696 7.303 -4.117 1.00 0.00 C ATOM 959 CG LEU A 66 -1.654 7.933 -3.191 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.434 9.407 -3.535 1.00 0.00 C ATOM 961 CD2 LEU A 66 -2.036 7.738 -1.722 1.00 0.00 C ATOM 0 H LEU A 66 -0.777 5.702 -4.397 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.385 5.588 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.446 7.566 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.665 7.752 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.705 7.421 -3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.689 9.830 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.084 9.492 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.373 9.950 -3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.279 8.195 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.001 8.207 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.101 6.673 -1.501 1.00 0.00 H new ATOM 973 N LEU A 67 -4.570 4.290 -4.796 1.00 0.00 N ATOM 974 CA LEU A 67 -5.422 3.633 -5.774 1.00 0.00 C ATOM 975 C LEU A 67 -6.491 4.616 -6.255 1.00 0.00 C ATOM 976 O LEU A 67 -6.722 4.749 -7.456 1.00 0.00 O ATOM 977 CB LEU A 67 -5.993 2.335 -5.200 1.00 0.00 C ATOM 978 CG LEU A 67 -5.026 1.152 -5.126 1.00 0.00 C ATOM 979 CD1 LEU A 67 -5.720 -0.088 -4.559 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.390 0.878 -6.491 1.00 0.00 C ATOM 0 H LEU A 67 -4.738 4.012 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.842 3.340 -6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.365 2.538 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.851 2.040 -5.804 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.219 1.412 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.011 -0.915 -4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.086 0.127 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.558 -0.361 -5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.707 0.032 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.170 0.647 -7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.839 1.759 -6.819 1.00 0.00 H new ATOM 992 N GLU A 68 -7.115 5.280 -5.293 1.00 0.00 N ATOM 993 CA GLU A 68 -8.154 6.247 -5.603 1.00 0.00 C ATOM 994 C GLU A 68 -8.170 7.363 -4.557 1.00 0.00 C ATOM 995 O GLU A 68 -7.895 7.122 -3.383 1.00 0.00 O ATOM 996 CB GLU A 68 -9.522 5.568 -5.703 1.00 0.00 C ATOM 997 CG GLU A 68 -9.624 4.723 -6.974 1.00 0.00 C ATOM 998 CD GLU A 68 -11.086 4.481 -7.356 1.00 0.00 C ATOM 999 OE1 GLU A 68 -11.697 5.432 -7.890 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -11.559 3.352 -7.105 1.00 0.00 O ATOM 0 H GLU A 68 -6.921 5.167 -4.298 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.933 6.690 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.683 4.937 -4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.308 6.323 -5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.109 5.227 -7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.121 3.768 -6.821 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.496 8.561 -5.022 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.552 9.715 -4.141 1.00 0.00 C ATOM 1009 C PHE A 69 -9.896 10.434 -4.264 1.00 0.00 C ATOM 1010 O PHE A 69 -10.164 11.089 -5.271 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.436 10.666 -4.578 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.510 12.051 -3.933 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.277 13.023 -4.495 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.809 12.310 -2.796 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.345 14.309 -3.896 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -6.877 13.595 -2.197 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.644 14.568 -2.760 1.00 0.00 C ATOM 0 H PHE A 69 -8.724 8.757 -5.997 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.434 9.398 -3.105 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.473 10.215 -4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.472 10.779 -5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.834 12.817 -5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.201 11.538 -2.349 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.954 15.081 -4.343 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.320 13.801 -1.295 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.696 15.546 -2.305 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.707 10.289 -3.226 1.00 0.00 N ATOM 1028 CA ASN A 70 -12.017 10.917 -3.206 1.00 0.00 C ATOM 1029 C ASN A 70 -12.873 10.337 -4.333 1.00 0.00 C ATOM 1030 O ASN A 70 -13.929 10.879 -4.657 1.00 0.00 O ATOM 1031 CB ASN A 70 -11.907 12.427 -3.424 1.00 0.00 C ATOM 1032 CG ASN A 70 -12.626 13.196 -2.314 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.340 12.636 -1.498 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -12.400 14.506 -2.329 1.00 0.00 N ATOM 0 H ASN A 70 -10.482 9.746 -2.393 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.468 10.725 -2.232 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.857 12.718 -3.452 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.336 12.691 -4.391 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.835 15.107 -1.629 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.791 14.910 -3.040 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.386 9.243 -4.900 1.00 0.00 N ATOM 1042 CA GLY A 71 -13.094 8.584 -5.984 1.00 0.00 C ATOM 1043 C GLY A 71 -12.482 8.946 -7.339 1.00 0.00 C ATOM 1044 O GLY A 71 -13.192 9.049 -8.338 1.00 0.00 O ATOM 0 H GLY A 71 -11.510 8.797 -4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.059 7.504 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.145 8.874 -5.966 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.169 9.129 -7.329 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.453 9.478 -8.545 1.00 0.00 C ATOM 1050 C ILE A 72 -9.494 8.343 -8.909 1.00 0.00 C ATOM 1051 O ILE A 72 -8.597 8.012 -8.136 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.769 10.837 -8.392 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.721 11.976 -8.762 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.470 10.891 -9.199 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.641 13.112 -7.740 1.00 0.00 C ATOM 0 H ILE A 72 -10.583 9.042 -6.499 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.147 9.589 -9.378 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.503 10.968 -7.343 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -10.472 12.355 -9.753 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.742 11.599 -8.813 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.004 11.868 -9.073 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.790 10.116 -8.846 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.690 10.728 -10.254 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -11.328 13.909 -8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.914 12.735 -6.755 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.624 13.503 -7.710 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.715 7.780 -10.088 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.882 6.689 -10.565 1.00 0.00 C ATOM 1069 C ASN A 73 -7.432 7.168 -10.664 1.00 0.00 C ATOM 1070 O ASN A 73 -6.993 7.615 -11.723 1.00 0.00 O ATOM 1071 CB ASN A 73 -9.323 6.226 -11.954 1.00 0.00 C ATOM 1072 CG ASN A 73 -9.914 4.815 -11.899 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -9.226 3.820 -12.052 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -11.224 4.786 -11.673 1.00 0.00 N ATOM 0 H ASN A 73 -10.459 8.059 -10.727 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.976 5.860 -9.863 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.063 6.919 -12.354 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.471 6.241 -12.634 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.712 3.892 -11.619 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.740 5.658 -11.554 1.00 0.00 H new ATOM 1081 N LEU A 74 -6.728 7.058 -9.547 1.00 0.00 N ATOM 1082 CA LEU A 74 -5.337 7.474 -9.495 1.00 0.00 C ATOM 1083 C LEU A 74 -4.525 6.652 -10.498 1.00 0.00 C ATOM 1084 O LEU A 74 -3.738 7.203 -11.265 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.806 7.393 -8.062 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.606 8.730 -7.345 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -3.813 9.706 -8.216 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -5.946 9.319 -6.898 1.00 0.00 C ATOM 0 H LEU A 74 -7.095 6.687 -8.671 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.242 8.520 -9.787 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.495 6.787 -7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.852 6.866 -8.078 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.018 8.550 -6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.685 10.648 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.835 9.281 -8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.353 9.886 -9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.775 10.269 -6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.581 9.482 -7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.438 8.627 -6.215 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.746 5.346 -10.460 1.00 0.00 N ATOM 1101 CA ARG A 75 -4.045 4.442 -11.356 1.00 0.00 C ATOM 1102 C ARG A 75 -3.888 5.080 -12.738 1.00 0.00 C ATOM 1103 O ARG A 75 -4.877 5.348 -13.418 1.00 0.00 O ATOM 1104 CB ARG A 75 -4.793 3.115 -11.496 1.00 0.00 C ATOM 1105 CG ARG A 75 -5.223 2.580 -10.129 1.00 0.00 C ATOM 1106 CD ARG A 75 -5.481 1.073 -10.186 1.00 0.00 C ATOM 1107 NE ARG A 75 -4.314 0.339 -9.649 1.00 0.00 N ATOM 1108 CZ ARG A 75 -4.364 -0.919 -9.190 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -5.524 -1.590 -9.200 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -3.254 -1.506 -8.722 1.00 0.00 N ATOM 0 H ARG A 75 -5.401 4.892 -9.823 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.062 4.248 -10.928 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.670 3.253 -12.129 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.154 2.384 -11.992 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.449 2.792 -9.392 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.126 3.095 -9.801 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.373 0.826 -9.610 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.672 0.767 -11.215 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.415 0.821 -9.627 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.369 -1.143 -9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.562 -2.548 -8.851 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.371 -0.995 -8.715 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.292 -2.464 -8.373 1.00 0.00 H new ATOM 1124 N SER A 76 -2.637 5.306 -13.111 1.00 0.00 N ATOM 1125 CA SER A 76 -2.338 5.907 -14.400 1.00 0.00 C ATOM 1126 C SER A 76 -2.386 7.433 -14.289 1.00 0.00 C ATOM 1127 O SER A 76 -2.656 8.122 -15.271 1.00 0.00 O ATOM 1128 CB SER A 76 -3.313 5.422 -15.474 1.00 0.00 C ATOM 1129 OG SER A 76 -2.675 5.253 -16.737 1.00 0.00 O ATOM 0 H SER A 76 -1.819 5.084 -12.544 1.00 0.00 H new ATOM 0 HA SER A 76 -1.334 5.601 -14.695 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.755 4.476 -15.162 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.129 6.138 -15.573 1.00 0.00 H new ATOM 0 HG SER A 76 -3.330 4.941 -17.395 1.00 0.00 H new ATOM 1135 N ALA A 77 -2.121 7.915 -13.084 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.131 9.346 -12.832 1.00 0.00 C ATOM 1137 C ALA A 77 -0.693 9.867 -12.814 1.00 0.00 C ATOM 1138 O ALA A 77 0.194 9.232 -12.244 1.00 0.00 O ATOM 1139 CB ALA A 77 -2.870 9.629 -11.522 1.00 0.00 C ATOM 0 H ALA A 77 -1.898 7.340 -12.271 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.662 9.871 -13.626 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.877 10.702 -11.333 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.895 9.267 -11.597 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.364 9.120 -10.702 1.00 0.00 H new ATOM 1145 N THR A 78 -0.506 11.017 -13.445 1.00 0.00 N ATOM 1146 CA THR A 78 0.810 11.629 -13.509 1.00 0.00 C ATOM 1147 C THR A 78 1.089 12.428 -12.234 1.00 0.00 C ATOM 1148 O THR A 78 0.193 13.075 -11.694 1.00 0.00 O ATOM 1149 CB THR A 78 0.877 12.475 -14.783 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.434 13.021 -14.906 1.00 0.00 O ATOM 1151 CG2 THR A 78 1.045 11.623 -16.042 1.00 0.00 C ATOM 0 H THR A 78 -1.244 11.541 -13.916 1.00 0.00 H new ATOM 0 HA THR A 78 1.595 10.874 -13.561 1.00 0.00 H new ATOM 0 HB THR A 78 1.705 13.180 -14.708 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.583 13.309 -15.831 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.087 12.271 -16.917 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.968 11.048 -15.972 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.200 10.941 -16.136 1.00 0.00 H new ATOM 1159 N GLU A 79 2.335 12.358 -11.791 1.00 0.00 N ATOM 1160 CA GLU A 79 2.743 13.067 -10.590 1.00 0.00 C ATOM 1161 C GLU A 79 2.109 14.459 -10.553 1.00 0.00 C ATOM 1162 O GLU A 79 1.748 14.952 -9.486 1.00 0.00 O ATOM 1163 CB GLU A 79 4.268 13.156 -10.497 1.00 0.00 C ATOM 1164 CG GLU A 79 4.890 13.365 -11.879 1.00 0.00 C ATOM 1165 CD GLU A 79 6.316 13.906 -11.763 1.00 0.00 C ATOM 1166 OE1 GLU A 79 6.442 15.121 -11.495 1.00 0.00 O ATOM 1167 OE2 GLU A 79 7.248 13.093 -11.945 1.00 0.00 O ATOM 0 H GLU A 79 3.076 11.821 -12.242 1.00 0.00 H new ATOM 0 HA GLU A 79 2.391 12.506 -9.724 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.548 13.979 -9.840 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.663 12.243 -10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.899 12.421 -12.424 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.279 14.060 -12.455 1.00 0.00 H new ATOM 1174 N GLN A 80 1.993 15.052 -11.732 1.00 0.00 N ATOM 1175 CA GLN A 80 1.409 16.377 -11.849 1.00 0.00 C ATOM 1176 C GLN A 80 -0.078 16.335 -11.491 1.00 0.00 C ATOM 1177 O GLN A 80 -0.561 17.172 -10.730 1.00 0.00 O ATOM 1178 CB GLN A 80 1.619 16.948 -13.253 1.00 0.00 C ATOM 1179 CG GLN A 80 2.962 16.498 -13.832 1.00 0.00 C ATOM 1180 CD GLN A 80 3.471 17.495 -14.875 1.00 0.00 C ATOM 1181 OE1 GLN A 80 4.161 18.454 -14.570 1.00 0.00 O ATOM 1182 NE2 GLN A 80 3.093 17.216 -16.119 1.00 0.00 N ATOM 0 H GLN A 80 2.294 14.639 -12.615 1.00 0.00 H new ATOM 0 HA GLN A 80 1.914 17.038 -11.145 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.810 16.623 -13.907 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.581 18.037 -13.216 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.693 16.400 -13.030 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.854 15.513 -14.287 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.515 16.396 -16.305 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.381 17.822 -16.888 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.762 15.352 -12.058 1.00 0.00 N ATOM 1192 CA GLN A 81 -2.185 15.190 -11.808 1.00 0.00 C ATOM 1193 C GLN A 81 -2.442 14.993 -10.313 1.00 0.00 C ATOM 1194 O GLN A 81 -3.225 15.727 -9.712 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.755 14.025 -12.621 1.00 0.00 C ATOM 1196 CG GLN A 81 -3.584 14.535 -13.801 1.00 0.00 C ATOM 1197 CD GLN A 81 -2.869 15.681 -14.520 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -3.458 16.689 -14.873 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -1.571 15.470 -14.716 1.00 0.00 N ATOM 0 H GLN A 81 -0.358 14.660 -12.689 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.696 16.098 -12.128 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.941 13.399 -12.987 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.375 13.398 -11.980 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.767 13.720 -14.501 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.557 14.875 -13.446 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.141 14.603 -14.395 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.005 16.175 -15.188 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.769 13.998 -9.755 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.915 13.695 -8.341 1.00 0.00 C ATOM 1210 C ALA A 82 -1.759 14.982 -7.530 1.00 0.00 C ATOM 1211 O ALA A 82 -2.705 15.432 -6.884 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.896 12.626 -7.940 1.00 0.00 C ATOM 0 H ALA A 82 -1.121 13.391 -10.256 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.907 13.293 -8.135 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.005 12.399 -6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.068 11.722 -8.524 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.112 12.995 -8.130 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.558 15.540 -7.589 1.00 0.00 N ATOM 1219 CA ARG A 83 -0.266 16.767 -6.867 1.00 0.00 C ATOM 1220 C ARG A 83 -1.467 17.713 -6.922 1.00 0.00 C ATOM 1221 O ARG A 83 -1.690 18.493 -5.997 1.00 0.00 O ATOM 1222 CB ARG A 83 0.958 17.472 -7.453 1.00 0.00 C ATOM 1223 CG ARG A 83 2.249 16.760 -7.046 1.00 0.00 C ATOM 1224 CD ARG A 83 3.477 17.584 -7.437 1.00 0.00 C ATOM 1225 NE ARG A 83 3.325 18.098 -8.816 1.00 0.00 N ATOM 1226 CZ ARG A 83 3.963 19.176 -9.291 1.00 0.00 C ATOM 1227 NH1 ARG A 83 4.801 19.861 -8.501 1.00 0.00 N ATOM 1228 NH2 ARG A 83 3.763 19.570 -10.557 1.00 0.00 N ATOM 0 H ARG A 83 0.224 15.165 -8.126 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.056 16.501 -5.831 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.881 17.499 -8.540 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.985 18.506 -7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.250 16.588 -5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.296 15.782 -7.525 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.604 18.415 -6.743 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.375 16.970 -7.366 1.00 0.00 H new ATOM 0 HE ARG A 83 2.695 17.600 -9.445 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.953 19.562 -7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.287 20.682 -8.863 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.125 19.049 -11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.249 20.391 -10.918 1.00 0.00 H new ATOM 1242 N LEU A 84 -2.209 17.614 -8.015 1.00 0.00 N ATOM 1243 CA LEU A 84 -3.381 18.451 -8.203 1.00 0.00 C ATOM 1244 C LEU A 84 -4.591 17.783 -7.546 1.00 0.00 C ATOM 1245 O LEU A 84 -5.249 18.380 -6.696 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.583 18.766 -9.686 1.00 0.00 C ATOM 1247 CG LEU A 84 -2.543 19.691 -10.323 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -2.250 19.275 -11.766 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -2.979 21.154 -10.226 1.00 0.00 C ATOM 0 H LEU A 84 -2.021 16.966 -8.780 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.243 19.414 -7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.592 17.827 -10.239 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.567 19.218 -9.810 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.612 19.594 -9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.508 19.948 -12.195 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.865 18.255 -11.780 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.167 19.325 -12.352 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.223 21.790 -10.686 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.928 21.286 -10.745 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.097 21.430 -9.178 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.846 16.552 -7.965 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.965 15.796 -7.428 1.00 0.00 C ATOM 1263 C ILE A 85 -5.887 15.794 -5.900 1.00 0.00 C ATOM 1264 O ILE A 85 -6.868 16.101 -5.225 1.00 0.00 O ATOM 1265 CB ILE A 85 -6.010 14.396 -8.044 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -6.133 14.470 -9.567 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -7.127 13.557 -7.418 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -6.150 13.071 -10.185 1.00 0.00 C ATOM 0 H ILE A 85 -4.297 16.059 -8.670 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.909 16.268 -7.698 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.068 13.895 -7.822 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.046 15.001 -9.836 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.299 15.042 -9.975 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.137 12.567 -7.874 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.953 13.462 -6.346 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.087 14.044 -7.588 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.238 13.153 -11.268 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.225 12.551 -9.934 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.999 12.510 -9.793 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.711 15.443 -5.400 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.493 15.397 -3.964 1.00 0.00 C ATOM 1282 C ILE A 86 -4.457 16.823 -3.412 1.00 0.00 C ATOM 1283 O ILE A 86 -5.009 17.094 -2.346 1.00 0.00 O ATOM 1284 CB ILE A 86 -3.240 14.580 -3.639 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.971 15.392 -3.906 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.241 13.251 -4.397 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.743 14.483 -3.973 1.00 0.00 C ATOM 0 H ILE A 86 -3.900 15.188 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.318 14.884 -3.469 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.252 14.344 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.075 15.938 -4.843 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.837 16.133 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.340 12.690 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.119 12.671 -4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.264 13.444 -5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.145 15.085 -4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.628 13.956 -3.026 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.870 13.759 -4.778 1.00 0.00 H new ATOM 1299 N GLY A 87 -3.802 17.697 -4.162 1.00 0.00 N ATOM 1300 CA GLY A 87 -3.688 19.089 -3.760 1.00 0.00 C ATOM 1301 C GLY A 87 -4.912 19.891 -4.206 1.00 0.00 C ATOM 1302 O GLY A 87 -4.778 20.999 -4.724 1.00 0.00 O ATOM 0 H GLY A 87 -3.345 17.469 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.583 19.151 -2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.787 19.523 -4.193 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.078 19.300 -3.988 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.325 19.946 -4.361 1.00 0.00 C ATOM 1308 C GLN A 88 -8.015 20.523 -3.123 1.00 0.00 C ATOM 1309 O GLN A 88 -7.449 20.512 -2.031 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.247 18.973 -5.099 1.00 0.00 C ATOM 1311 CG GLN A 88 -7.941 18.957 -6.598 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.210 19.195 -7.419 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -9.870 20.216 -7.308 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.514 18.199 -8.246 1.00 0.00 N ATOM 0 H GLN A 88 -6.185 18.381 -3.558 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.097 20.766 -5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.126 17.970 -4.689 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.286 19.260 -4.940 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.204 19.725 -6.831 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.500 17.999 -6.873 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.918 17.372 -8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.343 18.262 -8.837 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.227 21.014 -3.335 1.00 0.00 N ATOM 1324 CA GLN A 89 -9.999 21.595 -2.250 1.00 0.00 C ATOM 1325 C GLN A 89 -11.131 20.650 -1.840 1.00 0.00 C ATOM 1326 O GLN A 89 -11.681 19.935 -2.675 1.00 0.00 O ATOM 1327 CB GLN A 89 -10.547 22.969 -2.641 1.00 0.00 C ATOM 1328 CG GLN A 89 -10.859 23.029 -4.138 1.00 0.00 C ATOM 1329 CD GLN A 89 -11.845 21.929 -4.537 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -12.931 21.806 -3.996 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -11.406 21.137 -5.512 1.00 0.00 N ATOM 0 H GLN A 89 -9.693 21.021 -4.242 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.339 21.734 -1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.450 23.181 -2.069 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.820 23.740 -2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.277 24.005 -4.387 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.937 22.921 -4.710 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.486 21.295 -5.922 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.990 20.372 -5.849 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.444 20.678 -0.553 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.500 19.833 -0.021 1.00 0.00 C ATOM 1342 C CYS A 90 -12.311 19.723 1.493 1.00 0.00 C ATOM 1343 O CYS A 90 -11.340 19.130 1.960 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.519 18.459 -0.695 1.00 0.00 C ATOM 1345 SG CYS A 90 -13.878 18.380 -1.917 1.00 0.00 S ATOM 0 H CYS A 90 -10.985 21.272 0.137 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.470 20.283 -0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.565 18.273 -1.188 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.648 17.679 0.055 1.00 0.00 H new ATOM 0 HG CYS A 90 -13.540 19.039 -2.985 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.255 20.305 2.219 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.204 20.280 3.671 1.00 0.00 C ATOM 1353 C ASP A 91 -12.835 18.871 4.140 1.00 0.00 C ATOM 1354 O ASP A 91 -11.944 18.704 4.971 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.563 20.639 4.276 1.00 0.00 C ATOM 1356 CG ASP A 91 -14.776 22.129 4.549 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -13.831 22.898 4.270 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -15.879 22.465 5.032 1.00 0.00 O ATOM 0 H ASP A 91 -14.059 20.796 1.829 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.461 21.009 3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.347 20.293 3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.683 20.093 5.212 1.00 0.00 H new ATOM 1363 N THR A 92 -13.538 17.895 3.586 1.00 0.00 N ATOM 1364 CA THR A 92 -13.296 16.506 3.937 1.00 0.00 C ATOM 1365 C THR A 92 -13.165 15.651 2.675 1.00 0.00 C ATOM 1366 O THR A 92 -14.047 15.666 1.817 1.00 0.00 O ATOM 1367 CB THR A 92 -14.422 16.049 4.867 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.325 16.925 5.987 1.00 0.00 O ATOM 1369 CG2 THR A 92 -14.168 14.660 5.456 1.00 0.00 C ATOM 0 H THR A 92 -14.276 18.038 2.896 1.00 0.00 H new ATOM 0 HA THR A 92 -12.351 16.392 4.468 1.00 0.00 H new ATOM 0 HB THR A 92 -15.365 16.044 4.320 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.021 16.700 6.640 1.00 0.00 H new ATOM 0 HG21 THR A 92 -14.997 14.384 6.108 1.00 0.00 H new ATOM 0 HG22 THR A 92 -14.084 13.932 4.649 1.00 0.00 H new ATOM 0 HG23 THR A 92 -13.242 14.672 6.031 1.00 0.00 H new ATOM 1377 N ILE A 93 -12.058 14.927 2.601 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.801 14.068 1.457 1.00 0.00 C ATOM 1379 C ILE A 93 -11.266 12.721 1.947 1.00 0.00 C ATOM 1380 O ILE A 93 -10.597 12.652 2.977 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.880 14.769 0.457 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -10.074 13.751 -0.352 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -9.979 15.785 1.160 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.844 13.281 0.428 1.00 0.00 C ATOM 0 H ILE A 93 -11.329 14.917 3.314 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.726 13.867 0.916 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.500 15.323 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.703 12.895 -0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -9.762 14.197 -1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.334 16.269 0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.595 16.537 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.365 15.275 1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.289 12.558 -0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.205 14.136 0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.161 12.814 1.360 1.00 0.00 H new ATOM 1396 N THR A 94 -11.581 11.683 1.186 1.00 0.00 N ATOM 1397 CA THR A 94 -11.140 10.342 1.530 1.00 0.00 C ATOM 1398 C THR A 94 -10.040 9.880 0.571 1.00 0.00 C ATOM 1399 O THR A 94 -9.833 10.485 -0.480 1.00 0.00 O ATOM 1400 CB THR A 94 -12.366 9.427 1.533 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.294 10.095 2.384 1.00 0.00 O ATOM 1402 CG2 THR A 94 -12.102 8.097 2.241 1.00 0.00 C ATOM 0 H THR A 94 -12.136 11.744 0.333 1.00 0.00 H new ATOM 0 HA THR A 94 -10.694 10.315 2.524 1.00 0.00 H new ATOM 0 HB THR A 94 -12.679 9.236 0.507 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.120 9.571 2.442 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.004 7.485 2.215 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.292 7.571 1.736 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.822 8.286 3.277 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.363 8.813 0.968 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.290 8.263 0.158 1.00 0.00 C ATOM 1412 C ILE A 95 -8.379 6.735 0.170 1.00 0.00 C ATOM 1413 O ILE A 95 -8.805 6.143 1.160 1.00 0.00 O ATOM 1414 CB ILE A 95 -6.936 8.804 0.622 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -6.656 10.178 0.011 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.816 7.805 0.326 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.654 10.962 0.860 1.00 0.00 C ATOM 0 H ILE A 95 -9.537 8.314 1.841 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.395 8.581 -0.879 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.973 8.935 1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.266 10.058 -1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.586 10.740 -0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.864 8.214 0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.016 6.869 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.769 7.619 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.473 11.935 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.058 11.102 1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.717 10.409 0.920 1.00 0.00 H new ATOM 1429 N LEU A 96 -7.968 6.142 -0.941 1.00 0.00 N ATOM 1430 CA LEU A 96 -7.996 4.695 -1.071 1.00 0.00 C ATOM 1431 C LEU A 96 -6.579 4.184 -1.340 1.00 0.00 C ATOM 1432 O LEU A 96 -6.155 4.098 -2.491 1.00 0.00 O ATOM 1433 CB LEU A 96 -9.014 4.271 -2.131 1.00 0.00 C ATOM 1434 CG LEU A 96 -8.923 2.820 -2.607 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -9.602 1.874 -1.614 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -9.490 2.669 -4.020 1.00 0.00 C ATOM 0 H LEU A 96 -7.614 6.637 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.330 4.236 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.015 4.440 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.901 4.924 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.870 2.541 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.523 0.849 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.114 1.954 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.653 2.144 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.413 1.628 -4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.537 2.973 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.925 3.298 -4.708 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.887 3.858 -0.259 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.527 3.358 -0.363 1.00 0.00 C ATOM 1450 C ALA A 97 -4.541 1.830 -0.276 1.00 0.00 C ATOM 1451 O ALA A 97 -5.597 1.226 -0.094 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.662 3.996 0.726 1.00 0.00 C ATOM 0 H ALA A 97 -6.243 3.930 0.694 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.092 3.630 -1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.642 3.620 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.660 5.079 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.067 3.744 1.706 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.357 1.251 -0.409 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.221 -0.195 -0.348 1.00 0.00 C ATOM 1460 C GLN A 98 -1.742 -0.588 -0.336 1.00 0.00 C ATOM 1461 O GLN A 98 -1.202 -1.018 -1.354 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.957 -0.865 -1.509 1.00 0.00 C ATOM 1463 CG GLN A 98 -3.992 -2.384 -1.332 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.499 -3.073 -2.601 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -4.319 -2.598 -3.710 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -5.142 -4.215 -2.376 1.00 0.00 N ATOM 0 H GLN A 98 -2.484 1.756 -0.559 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.678 -0.545 0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.974 -0.479 -1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.464 -0.616 -2.449 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.994 -2.749 -1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.637 -2.641 -0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.257 -4.556 -1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.520 -4.750 -3.158 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.129 -0.427 0.828 1.00 0.00 N ATOM 1476 CA TYR A 99 0.277 -0.760 0.985 1.00 0.00 C ATOM 1477 C TYR A 99 0.638 -2.010 0.179 1.00 0.00 C ATOM 1478 O TYR A 99 -0.140 -2.961 0.120 1.00 0.00 O ATOM 1479 CB TYR A 99 0.476 -1.052 2.474 1.00 0.00 C ATOM 1480 CG TYR A 99 1.912 -1.426 2.847 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.425 -2.652 2.475 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.694 -0.536 3.556 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.777 -3.003 2.827 1.00 0.00 C ATOM 1484 CE2 TYR A 99 4.046 -0.888 3.907 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.520 -2.104 3.525 1.00 0.00 C ATOM 1486 OH TYR A 99 5.797 -2.436 3.857 1.00 0.00 O ATOM 0 H TYR A 99 -1.580 -0.071 1.671 1.00 0.00 H new ATOM 0 HA TYR A 99 0.907 0.056 0.630 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.179 -0.175 3.049 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.188 -1.865 2.766 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.813 -3.348 1.920 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.292 0.423 3.847 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.191 -3.959 2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.669 -0.202 4.461 1.00 0.00 H new ATOM 0 HH TYR A 99 6.208 -1.698 4.353 1.00 0.00 H new ATOM 1496 N ASN A 100 1.818 -1.967 -0.421 1.00 0.00 N ATOM 1497 CA ASN A 100 2.292 -3.084 -1.220 1.00 0.00 C ATOM 1498 C ASN A 100 3.763 -3.351 -0.895 1.00 0.00 C ATOM 1499 O ASN A 100 4.611 -2.480 -1.080 1.00 0.00 O ATOM 1500 CB ASN A 100 2.187 -2.775 -2.715 1.00 0.00 C ATOM 1501 CG ASN A 100 0.881 -3.319 -3.297 1.00 0.00 C ATOM 1502 OD1 ASN A 100 0.558 -4.489 -3.178 1.00 0.00 O ATOM 1503 ND2 ASN A 100 0.150 -2.406 -3.931 1.00 0.00 N ATOM 0 H ASN A 100 2.460 -1.176 -0.370 1.00 0.00 H new ATOM 0 HA ASN A 100 1.675 -3.951 -0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.238 -1.698 -2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.035 -3.214 -3.241 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -0.740 -2.669 -4.354 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.480 -1.443 -3.994 1.00 0.00 H new ATOM 1510 N PRO A 101 4.027 -4.591 -0.403 1.00 0.00 N ATOM 1511 CA PRO A 101 5.380 -4.984 -0.050 1.00 0.00 C ATOM 1512 C PRO A 101 6.214 -5.265 -1.302 1.00 0.00 C ATOM 1513 O PRO A 101 6.795 -6.341 -1.437 1.00 0.00 O ATOM 1514 CB PRO A 101 5.216 -6.205 0.840 1.00 0.00 C ATOM 1515 CG PRO A 101 3.813 -6.727 0.577 1.00 0.00 C ATOM 1516 CD PRO A 101 3.047 -5.649 -0.171 1.00 0.00 C ATOM 0 HA PRO A 101 5.923 -4.197 0.473 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.965 -6.962 0.606 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.345 -5.943 1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.851 -7.645 -0.010 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.314 -6.969 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.644 -6.029 -1.110 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.202 -5.285 0.414 1.00 0.00 H new