USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 816 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 83 SER OG : rot 180:sc= -0.651 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= -1.24 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 29 TYR OH : rot -156:sc= 0.00507 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.643 USER MOD Single : A 44 HIS : no HD1:sc= -4.64! C(o=-4.6!,f=-7.7!) USER MOD Single : A 47 CYS SG : rot 72:sc= -0.815 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -108:sc= -3.92! (180deg=-6.82!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -27:sc= -3.52! USER MOD Single : A 71 ASN : amide:sc= -1.83 K(o=-1.8,f=-6.2!) USER MOD Single : A 72 LYS NZ :NH3+ 156:sc= -2.91! (180deg=-5.12!) USER MOD Single : A 73 GLN : amide:sc=-0.00593 X(o=-0.0059,f=-0.14) USER MOD Single : A 76 ASN : amide:sc= -1.16! C(o=-1.2!,f=-2.4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.052 X(o=-0.052,f=-0.22) USER MOD Single : A 95 ASN : amide:sc= -0.256 K(o=-0.26,f=-2) USER MOD Single : A 100 SER OG : rot 93:sc= 0.362 USER MOD Single : A 103 ASN : amide:sc= -1.32 K(o=-1.3,f=-5.9!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0107) USER MOD Single : A 120 SER OG : rot 91:sc= 0.152 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.601 K(o=-0.6,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 251 N PRO A 18 10.754 -24.281 -10.735 1.00 0.00 N ATOM 252 CA PRO A 18 11.454 -23.123 -10.171 1.00 0.00 C ATOM 253 C PRO A 18 10.565 -22.303 -9.242 1.00 0.00 C ATOM 254 O PRO A 18 10.020 -21.272 -9.637 1.00 0.00 O ATOM 255 CB PRO A 18 11.835 -22.303 -11.407 1.00 0.00 C ATOM 256 CG PRO A 18 10.832 -22.686 -12.439 1.00 0.00 C ATOM 257 CD PRO A 18 10.497 -24.128 -12.177 1.00 0.00 C ATOM 0 HA PRO A 18 12.306 -23.420 -9.559 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.800 -21.234 -11.199 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.849 -22.531 -11.736 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.942 -22.060 -12.370 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.236 -22.556 -13.443 1.00 0.00 H new ATOM 0 HD2 PRO A 18 9.460 -24.351 -12.426 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.119 -24.799 -12.770 1.00 0.00 H new ATOM 265 N LEU A 19 10.424 -22.768 -8.005 1.00 0.00 N ATOM 266 CA LEU A 19 9.600 -22.077 -7.018 1.00 0.00 C ATOM 267 C LEU A 19 9.789 -20.567 -7.113 1.00 0.00 C ATOM 268 O LEU A 19 8.819 -19.810 -7.125 1.00 0.00 O ATOM 269 CB LEU A 19 9.948 -22.559 -5.609 1.00 0.00 C ATOM 270 CG LEU A 19 9.482 -23.970 -5.247 1.00 0.00 C ATOM 271 CD1 LEU A 19 10.539 -24.687 -4.423 1.00 0.00 C ATOM 272 CD2 LEU A 19 8.160 -23.918 -4.494 1.00 0.00 C ATOM 0 H LEU A 19 10.869 -23.619 -7.662 1.00 0.00 H new ATOM 0 HA LEU A 19 8.555 -22.307 -7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.030 -22.513 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.518 -21.861 -4.891 1.00 0.00 H new ATOM 0 HG LEU A 19 9.330 -24.530 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.189 -25.689 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.463 -24.757 -4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.724 -24.130 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.843 -24.931 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.286 -23.341 -3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.403 -23.445 -5.120 1.00 0.00 H new ATOM 284 N GLU A 20 11.045 -20.135 -7.182 1.00 0.00 N ATOM 285 CA GLU A 20 11.360 -18.715 -7.277 1.00 0.00 C ATOM 286 C GLU A 20 10.671 -18.085 -8.484 1.00 0.00 C ATOM 287 O GLU A 20 10.088 -17.005 -8.387 1.00 0.00 O ATOM 288 CB GLU A 20 12.873 -18.511 -7.375 1.00 0.00 C ATOM 289 CG GLU A 20 13.480 -17.858 -6.145 1.00 0.00 C ATOM 290 CD GLU A 20 14.900 -17.381 -6.378 1.00 0.00 C ATOM 291 OE1 GLU A 20 15.838 -18.174 -6.155 1.00 0.00 O ATOM 292 OE2 GLU A 20 15.073 -16.213 -6.786 1.00 0.00 O ATOM 0 H GLU A 20 11.860 -20.748 -7.174 1.00 0.00 H new ATOM 0 HA GLU A 20 10.993 -18.226 -6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.352 -19.477 -7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.092 -17.896 -8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.861 -17.012 -5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.471 -18.569 -5.319 1.00 0.00 H new ATOM 299 N LYS A 21 10.744 -18.767 -9.622 1.00 0.00 N ATOM 300 CA LYS A 21 10.127 -18.276 -10.849 1.00 0.00 C ATOM 301 C LYS A 21 8.606 -18.281 -10.734 1.00 0.00 C ATOM 302 O LYS A 21 7.927 -17.434 -11.315 1.00 0.00 O ATOM 303 CB LYS A 21 10.562 -19.133 -12.040 1.00 0.00 C ATOM 304 CG LYS A 21 12.062 -19.120 -12.283 1.00 0.00 C ATOM 305 CD LYS A 21 12.465 -17.997 -13.224 1.00 0.00 C ATOM 306 CE LYS A 21 12.831 -16.734 -12.460 1.00 0.00 C ATOM 307 NZ LYS A 21 13.755 -15.864 -13.239 1.00 0.00 N ATOM 0 H LYS A 21 11.224 -19.661 -9.720 1.00 0.00 H new ATOM 0 HA LYS A 21 10.458 -17.249 -11.007 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.238 -20.161 -11.875 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.054 -18.779 -12.937 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.584 -19.005 -11.333 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.372 -20.077 -12.703 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.313 -18.316 -13.830 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.645 -17.784 -13.910 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.924 -16.179 -12.221 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.298 -17.005 -11.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.981 -15.014 -12.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.631 -16.385 -13.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.299 -15.585 -14.131 1.00 0.00 H new ATOM 321 N TYR A 22 8.078 -19.239 -9.980 1.00 0.00 N ATOM 322 CA TYR A 22 6.637 -19.354 -9.790 1.00 0.00 C ATOM 323 C TYR A 22 6.090 -18.152 -9.028 1.00 0.00 C ATOM 324 O TYR A 22 5.078 -17.565 -9.413 1.00 0.00 O ATOM 325 CB TYR A 22 6.303 -20.644 -9.038 1.00 0.00 C ATOM 326 CG TYR A 22 5.171 -20.491 -8.047 1.00 0.00 C ATOM 327 CD1 TYR A 22 5.380 -19.886 -6.813 1.00 0.00 C ATOM 328 CD2 TYR A 22 3.894 -20.951 -8.343 1.00 0.00 C ATOM 329 CE1 TYR A 22 4.349 -19.744 -5.904 1.00 0.00 C ATOM 330 CE2 TYR A 22 2.858 -20.813 -7.440 1.00 0.00 C ATOM 331 CZ TYR A 22 3.090 -20.209 -6.222 1.00 0.00 C ATOM 332 OH TYR A 22 2.061 -20.070 -5.320 1.00 0.00 O ATOM 0 H TYR A 22 8.626 -19.947 -9.491 1.00 0.00 H new ATOM 0 HA TYR A 22 6.167 -19.382 -10.773 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.041 -21.418 -9.760 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.193 -20.988 -8.510 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.365 -19.521 -6.561 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.708 -21.425 -9.296 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.528 -19.271 -4.950 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.871 -21.176 -7.686 1.00 0.00 H new ATOM 0 HH TYR A 22 1.240 -20.449 -5.699 1.00 0.00 H new ATOM 342 N HIS A 23 6.768 -17.789 -7.943 1.00 0.00 N ATOM 343 CA HIS A 23 6.352 -16.654 -7.126 1.00 0.00 C ATOM 344 C HIS A 23 6.616 -15.337 -7.849 1.00 0.00 C ATOM 345 O HIS A 23 5.931 -14.342 -7.615 1.00 0.00 O ATOM 346 CB HIS A 23 7.085 -16.669 -5.784 1.00 0.00 C ATOM 347 CG HIS A 23 6.169 -16.625 -4.600 1.00 0.00 C ATOM 348 ND1 HIS A 23 6.129 -17.617 -3.643 1.00 0.00 N ATOM 349 CD2 HIS A 23 5.257 -15.700 -4.221 1.00 0.00 C ATOM 350 CE1 HIS A 23 5.230 -17.304 -2.726 1.00 0.00 C ATOM 351 NE2 HIS A 23 4.687 -16.145 -3.053 1.00 0.00 N ATOM 0 H HIS A 23 7.607 -18.264 -7.610 1.00 0.00 H new ATOM 0 HA HIS A 23 5.280 -16.740 -6.947 1.00 0.00 H new ATOM 0 HB2 HIS A 23 7.699 -17.568 -5.725 1.00 0.00 H new ATOM 0 HB3 HIS A 23 7.763 -15.817 -5.740 1.00 0.00 H new ATOM 0 HD2 HIS A 23 5.021 -14.783 -4.740 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.982 -17.895 -1.857 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.962 -15.659 -2.524 1.00 0.00 H new ATOM 359 N GLU A 24 7.615 -15.340 -8.727 1.00 0.00 N ATOM 360 CA GLU A 24 7.970 -14.144 -9.483 1.00 0.00 C ATOM 361 C GLU A 24 6.893 -13.811 -10.511 1.00 0.00 C ATOM 362 O GLU A 24 6.490 -12.657 -10.651 1.00 0.00 O ATOM 363 CB GLU A 24 9.316 -14.338 -10.182 1.00 0.00 C ATOM 364 CG GLU A 24 10.512 -14.015 -9.301 1.00 0.00 C ATOM 365 CD GLU A 24 10.990 -12.586 -9.467 1.00 0.00 C ATOM 366 OE1 GLU A 24 10.137 -11.692 -9.647 1.00 0.00 O ATOM 367 OE2 GLU A 24 12.217 -12.361 -9.415 1.00 0.00 O ATOM 0 H GLU A 24 8.192 -16.156 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 24 8.049 -13.312 -8.783 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.394 -15.371 -10.522 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.349 -13.707 -11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.247 -14.187 -8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.328 -14.697 -9.539 1.00 0.00 H new ATOM 374 N GLU A 25 6.432 -14.831 -11.229 1.00 0.00 N ATOM 375 CA GLU A 25 5.403 -14.646 -12.246 1.00 0.00 C ATOM 376 C GLU A 25 4.045 -14.378 -11.603 1.00 0.00 C ATOM 377 O GLU A 25 3.377 -13.396 -11.926 1.00 0.00 O ATOM 378 CB GLU A 25 5.319 -15.879 -13.148 1.00 0.00 C ATOM 379 CG GLU A 25 6.284 -15.843 -14.320 1.00 0.00 C ATOM 380 CD GLU A 25 6.029 -16.953 -15.321 1.00 0.00 C ATOM 381 OE1 GLU A 25 5.348 -17.935 -14.958 1.00 0.00 O ATOM 382 OE2 GLU A 25 6.510 -16.839 -16.468 1.00 0.00 O ATOM 0 H GLU A 25 6.755 -15.793 -11.125 1.00 0.00 H new ATOM 0 HA GLU A 25 5.676 -13.781 -12.850 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.518 -16.769 -12.551 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.302 -15.972 -13.529 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.203 -14.880 -14.823 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.305 -15.923 -13.947 1.00 0.00 H new ATOM 389 N ALA A 26 3.644 -15.259 -10.692 1.00 0.00 N ATOM 390 CA ALA A 26 2.367 -15.117 -10.003 1.00 0.00 C ATOM 391 C ALA A 26 2.292 -13.792 -9.253 1.00 0.00 C ATOM 392 O ALA A 26 1.257 -13.126 -9.252 1.00 0.00 O ATOM 393 CB ALA A 26 2.153 -16.280 -9.046 1.00 0.00 C ATOM 0 H ALA A 26 4.185 -16.078 -10.414 1.00 0.00 H new ATOM 0 HA ALA A 26 1.575 -15.125 -10.752 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.196 -16.162 -8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.154 -17.216 -9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.956 -16.297 -8.309 1.00 0.00 H new ATOM 399 N ASP A 27 3.395 -13.414 -8.616 1.00 0.00 N ATOM 400 CA ASP A 27 3.454 -12.167 -7.863 1.00 0.00 C ATOM 401 C ASP A 27 3.350 -10.964 -8.794 1.00 0.00 C ATOM 402 O ASP A 27 2.592 -10.029 -8.534 1.00 0.00 O ATOM 403 CB ASP A 27 4.753 -12.094 -7.058 1.00 0.00 C ATOM 404 CG ASP A 27 4.873 -10.805 -6.269 1.00 0.00 C ATOM 405 OD1 ASP A 27 5.303 -9.789 -6.854 1.00 0.00 O ATOM 406 OD2 ASP A 27 4.536 -10.812 -5.067 1.00 0.00 O ATOM 0 H ASP A 27 4.260 -13.954 -8.606 1.00 0.00 H new ATOM 0 HA ASP A 27 2.608 -12.146 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.801 -12.941 -6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.602 -12.182 -7.735 1.00 0.00 H new ATOM 411 N ASP A 28 4.115 -10.994 -9.880 1.00 0.00 N ATOM 412 CA ASP A 28 4.109 -9.906 -10.850 1.00 0.00 C ATOM 413 C ASP A 28 2.795 -9.876 -11.625 1.00 0.00 C ATOM 414 O ASP A 28 2.344 -8.817 -12.062 1.00 0.00 O ATOM 415 CB ASP A 28 5.283 -10.051 -11.819 1.00 0.00 C ATOM 416 CG ASP A 28 5.648 -8.740 -12.487 1.00 0.00 C ATOM 417 OD1 ASP A 28 6.135 -7.830 -11.784 1.00 0.00 O ATOM 418 OD2 ASP A 28 5.445 -8.623 -13.714 1.00 0.00 O ATOM 0 H ASP A 28 4.747 -11.761 -10.110 1.00 0.00 H new ATOM 0 HA ASP A 28 4.211 -8.967 -10.306 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.150 -10.435 -11.280 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.031 -10.787 -12.583 1.00 0.00 H new ATOM 423 N TYR A 29 2.187 -11.045 -11.793 1.00 0.00 N ATOM 424 CA TYR A 29 0.927 -11.154 -12.518 1.00 0.00 C ATOM 425 C TYR A 29 -0.211 -10.506 -11.734 1.00 0.00 C ATOM 426 O TYR A 29 -0.961 -9.688 -12.268 1.00 0.00 O ATOM 427 CB TYR A 29 0.599 -12.622 -12.795 1.00 0.00 C ATOM 428 CG TYR A 29 0.873 -13.046 -14.220 1.00 0.00 C ATOM 429 CD1 TYR A 29 0.112 -12.551 -15.272 1.00 0.00 C ATOM 430 CD2 TYR A 29 1.894 -13.941 -14.516 1.00 0.00 C ATOM 431 CE1 TYR A 29 0.358 -12.935 -16.575 1.00 0.00 C ATOM 432 CE2 TYR A 29 2.149 -14.330 -15.816 1.00 0.00 C ATOM 433 CZ TYR A 29 1.378 -13.824 -16.843 1.00 0.00 C ATOM 434 OH TYR A 29 1.628 -14.210 -18.140 1.00 0.00 O ATOM 0 H TYR A 29 2.547 -11.931 -11.437 1.00 0.00 H new ATOM 0 HA TYR A 29 1.036 -10.628 -13.466 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.181 -13.249 -12.120 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.452 -12.800 -12.568 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.686 -11.853 -15.067 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.499 -14.339 -13.715 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.245 -12.542 -17.380 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.947 -15.026 -16.028 1.00 0.00 H new ATOM 0 HH TYR A 29 2.074 -15.083 -18.141 1.00 0.00 H new ATOM 444 N LEU A 30 -0.332 -10.878 -10.465 1.00 0.00 N ATOM 445 CA LEU A 30 -1.377 -10.333 -9.605 1.00 0.00 C ATOM 446 C LEU A 30 -1.133 -8.854 -9.321 1.00 0.00 C ATOM 447 O LEU A 30 -2.061 -8.046 -9.346 1.00 0.00 O ATOM 448 CB LEU A 30 -1.441 -11.113 -8.290 1.00 0.00 C ATOM 449 CG LEU A 30 -1.553 -12.633 -8.416 1.00 0.00 C ATOM 450 CD1 LEU A 30 -0.604 -13.320 -7.447 1.00 0.00 C ATOM 451 CD2 LEU A 30 -2.986 -13.083 -8.173 1.00 0.00 C ATOM 0 H LEU A 30 0.280 -11.554 -10.008 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.330 -10.431 -10.126 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.548 -10.881 -7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.296 -10.752 -7.718 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.271 -12.917 -9.430 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.698 -14.401 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.421 -13.022 -7.668 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.854 -13.031 -6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.048 -14.167 -8.267 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.295 -12.787 -7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.643 -12.617 -8.908 1.00 0.00 H new ATOM 463 N ASP A 31 0.121 -8.508 -9.053 1.00 0.00 N ATOM 464 CA ASP A 31 0.488 -7.126 -8.767 1.00 0.00 C ATOM 465 C ASP A 31 0.130 -6.216 -9.938 1.00 0.00 C ATOM 466 O ASP A 31 -0.450 -5.146 -9.752 1.00 0.00 O ATOM 467 CB ASP A 31 1.984 -7.025 -8.466 1.00 0.00 C ATOM 468 CG ASP A 31 2.276 -7.025 -6.978 1.00 0.00 C ATOM 469 OD1 ASP A 31 1.324 -7.183 -6.186 1.00 0.00 O ATOM 470 OD2 ASP A 31 3.458 -6.867 -6.606 1.00 0.00 O ATOM 0 H ASP A 31 0.901 -9.165 -9.028 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.074 -6.800 -7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.503 -7.861 -8.935 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.381 -6.113 -8.911 1.00 0.00 H new ATOM 475 N HIS A 32 0.481 -6.647 -11.146 1.00 0.00 N ATOM 476 CA HIS A 32 0.197 -5.871 -12.347 1.00 0.00 C ATOM 477 C HIS A 32 -1.298 -5.864 -12.649 1.00 0.00 C ATOM 478 O HIS A 32 -1.814 -4.931 -13.266 1.00 0.00 O ATOM 479 CB HIS A 32 0.967 -6.438 -13.540 1.00 0.00 C ATOM 480 CG HIS A 32 2.323 -5.827 -13.723 1.00 0.00 C ATOM 481 ND1 HIS A 32 2.795 -5.398 -14.945 1.00 0.00 N ATOM 482 CD2 HIS A 32 3.307 -5.574 -12.830 1.00 0.00 C ATOM 483 CE1 HIS A 32 4.013 -4.907 -14.796 1.00 0.00 C ATOM 484 NE2 HIS A 32 4.347 -5.002 -13.522 1.00 0.00 N ATOM 0 H HIS A 32 0.963 -7.530 -11.318 1.00 0.00 H new ATOM 0 HA HIS A 32 0.519 -4.845 -12.171 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.077 -7.515 -13.412 1.00 0.00 H new ATOM 0 HB3 HIS A 32 0.382 -6.283 -14.447 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.280 -5.783 -11.771 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.630 -4.498 -15.582 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.233 -4.700 -13.117 1.00 0.00 H new ATOM 492 N LEU A 33 -1.990 -6.910 -12.210 1.00 0.00 N ATOM 493 CA LEU A 33 -3.427 -7.025 -12.434 1.00 0.00 C ATOM 494 C LEU A 33 -4.188 -5.971 -11.637 1.00 0.00 C ATOM 495 O LEU A 33 -4.975 -5.204 -12.194 1.00 0.00 O ATOM 496 CB LEU A 33 -3.913 -8.423 -12.047 1.00 0.00 C ATOM 497 CG LEU A 33 -4.464 -9.282 -13.186 1.00 0.00 C ATOM 498 CD1 LEU A 33 -5.892 -8.878 -13.516 1.00 0.00 C ATOM 499 CD2 LEU A 33 -3.577 -9.167 -14.417 1.00 0.00 C ATOM 0 H LEU A 33 -1.579 -7.690 -11.697 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.619 -6.861 -13.494 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.084 -8.958 -11.583 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.689 -8.319 -11.289 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.469 -10.323 -12.862 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.268 -9.500 -14.329 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.521 -9.012 -12.636 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.913 -7.832 -13.820 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.984 -9.785 -15.218 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.540 -8.128 -14.743 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.570 -9.506 -14.173 1.00 0.00 H new ATOM 511 N LEU A 34 -3.948 -5.937 -10.331 1.00 0.00 N ATOM 512 CA LEU A 34 -4.609 -4.974 -9.456 1.00 0.00 C ATOM 513 C LEU A 34 -4.111 -3.559 -9.729 1.00 0.00 C ATOM 514 O LEU A 34 -4.824 -2.583 -9.494 1.00 0.00 O ATOM 515 CB LEU A 34 -4.368 -5.338 -7.990 1.00 0.00 C ATOM 516 CG LEU A 34 -2.950 -5.787 -7.634 1.00 0.00 C ATOM 517 CD1 LEU A 34 -2.315 -4.816 -6.650 1.00 0.00 C ATOM 518 CD2 LEU A 34 -2.964 -7.197 -7.062 1.00 0.00 C ATOM 0 H LEU A 34 -3.301 -6.565 -9.854 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.679 -5.009 -9.661 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.619 -4.473 -7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.059 -6.135 -7.716 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.352 -5.793 -8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.306 -5.151 -6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.270 -3.823 -7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.913 -4.778 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.946 -7.499 -6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.578 -7.218 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.378 -7.885 -7.800 1.00 0.00 H new ATOM 530 N ASP A 35 -2.884 -3.455 -10.228 1.00 0.00 N ATOM 531 CA ASP A 35 -2.291 -2.158 -10.536 1.00 0.00 C ATOM 532 C ASP A 35 -2.982 -1.516 -11.735 1.00 0.00 C ATOM 533 O ASP A 35 -3.287 -0.324 -11.723 1.00 0.00 O ATOM 534 CB ASP A 35 -0.795 -2.311 -10.814 1.00 0.00 C ATOM 535 CG ASP A 35 -0.059 -0.986 -10.765 1.00 0.00 C ATOM 536 OD1 ASP A 35 -0.645 0.035 -11.182 1.00 0.00 O ATOM 537 OD2 ASP A 35 1.103 -0.970 -10.308 1.00 0.00 O ATOM 0 H ASP A 35 -2.281 -4.253 -10.428 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.427 -1.509 -9.671 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.360 -2.992 -10.083 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.655 -2.765 -11.795 1.00 0.00 H new ATOM 542 N SER A 36 -3.224 -2.315 -12.770 1.00 0.00 N ATOM 543 CA SER A 36 -3.874 -1.824 -13.979 1.00 0.00 C ATOM 544 C SER A 36 -5.349 -1.532 -13.723 1.00 0.00 C ATOM 545 O SER A 36 -5.860 -0.476 -14.098 1.00 0.00 O ATOM 546 CB SER A 36 -3.733 -2.845 -15.110 1.00 0.00 C ATOM 547 OG SER A 36 -3.664 -2.203 -16.371 1.00 0.00 O ATOM 0 H SER A 36 -2.980 -3.305 -12.795 1.00 0.00 H new ATOM 0 HA SER A 36 -3.384 -0.896 -14.274 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.836 -3.444 -14.954 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.580 -3.530 -15.093 1.00 0.00 H new ATOM 0 HG SER A 36 -3.572 -2.877 -17.077 1.00 0.00 H new ATOM 553 N LEU A 37 -6.029 -2.476 -13.081 1.00 0.00 N ATOM 554 CA LEU A 37 -7.447 -2.322 -12.773 1.00 0.00 C ATOM 555 C LEU A 37 -7.678 -1.127 -11.853 1.00 0.00 C ATOM 556 O LEU A 37 -8.425 -0.209 -12.188 1.00 0.00 O ATOM 557 CB LEU A 37 -7.989 -3.595 -12.121 1.00 0.00 C ATOM 558 CG LEU A 37 -8.569 -4.642 -13.073 1.00 0.00 C ATOM 559 CD1 LEU A 37 -9.523 -3.992 -14.063 1.00 0.00 C ATOM 560 CD2 LEU A 37 -7.453 -5.373 -13.805 1.00 0.00 C ATOM 0 H LEU A 37 -5.622 -3.356 -12.764 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.979 -2.145 -13.708 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.184 -4.058 -11.550 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.764 -3.313 -11.408 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.128 -5.370 -12.486 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.926 -4.752 -14.732 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.340 -3.515 -13.522 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.988 -3.242 -14.646 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.884 -6.114 -14.478 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.866 -4.658 -14.381 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.809 -5.872 -13.081 1.00 0.00 H new ATOM 572 N GLU A 38 -7.029 -1.147 -10.692 1.00 0.00 N ATOM 573 CA GLU A 38 -7.163 -0.065 -9.725 1.00 0.00 C ATOM 574 C GLU A 38 -6.881 1.286 -10.376 1.00 0.00 C ATOM 575 O GLU A 38 -7.584 2.265 -10.129 1.00 0.00 O ATOM 576 CB GLU A 38 -6.212 -0.284 -8.546 1.00 0.00 C ATOM 577 CG GLU A 38 -4.750 -0.062 -8.895 1.00 0.00 C ATOM 578 CD GLU A 38 -4.354 1.401 -8.847 1.00 0.00 C ATOM 579 OE1 GLU A 38 -5.234 2.244 -8.574 1.00 0.00 O ATOM 580 OE2 GLU A 38 -3.165 1.702 -9.081 1.00 0.00 O ATOM 0 H GLU A 38 -6.406 -1.900 -10.400 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.190 -0.065 -9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.490 0.390 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.338 -1.300 -8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.125 -0.626 -8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.555 -0.455 -9.893 1.00 0.00 H new ATOM 587 N GLU A 39 -5.846 1.329 -11.209 1.00 0.00 N ATOM 588 CA GLU A 39 -5.470 2.560 -11.895 1.00 0.00 C ATOM 589 C GLU A 39 -6.541 2.972 -12.901 1.00 0.00 C ATOM 590 O GLU A 39 -6.699 4.154 -13.208 1.00 0.00 O ATOM 591 CB GLU A 39 -4.127 2.383 -12.608 1.00 0.00 C ATOM 592 CG GLU A 39 -2.926 2.673 -11.725 1.00 0.00 C ATOM 593 CD GLU A 39 -1.895 3.549 -12.411 1.00 0.00 C ATOM 594 OE1 GLU A 39 -2.296 4.526 -13.077 1.00 0.00 O ATOM 595 OE2 GLU A 39 -0.688 3.256 -12.283 1.00 0.00 O ATOM 0 H GLU A 39 -5.254 0.527 -11.425 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.376 3.348 -11.147 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.055 1.361 -12.981 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.097 3.042 -13.476 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.262 3.162 -10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.460 1.732 -11.431 1.00 0.00 H new ATOM 602 N LEU A 40 -7.274 1.988 -13.411 1.00 0.00 N ATOM 603 CA LEU A 40 -8.331 2.247 -14.383 1.00 0.00 C ATOM 604 C LEU A 40 -9.591 2.760 -13.693 1.00 0.00 C ATOM 605 O LEU A 40 -10.265 3.659 -14.197 1.00 0.00 O ATOM 606 CB LEU A 40 -8.649 0.975 -15.170 1.00 0.00 C ATOM 607 CG LEU A 40 -7.557 0.483 -16.121 1.00 0.00 C ATOM 608 CD1 LEU A 40 -7.571 -1.035 -16.210 1.00 0.00 C ATOM 609 CD2 LEU A 40 -7.733 1.102 -17.500 1.00 0.00 C ATOM 0 H LEU A 40 -7.156 1.004 -13.168 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.978 3.015 -15.072 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.870 0.178 -14.460 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.556 1.147 -15.749 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.590 0.794 -15.726 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.787 -1.367 -16.891 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.396 -1.459 -15.221 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.540 -1.369 -16.582 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.947 0.741 -18.164 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.706 0.822 -17.903 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.672 2.187 -17.422 1.00 0.00 H new ATOM 621 N SER A 41 -9.903 2.185 -12.536 1.00 0.00 N ATOM 622 CA SER A 41 -11.083 2.583 -11.778 1.00 0.00 C ATOM 623 C SER A 41 -10.878 3.950 -11.131 1.00 0.00 C ATOM 624 O SER A 41 -11.840 4.655 -10.829 1.00 0.00 O ATOM 625 CB SER A 41 -11.400 1.541 -10.703 1.00 0.00 C ATOM 626 OG SER A 41 -11.902 2.155 -9.529 1.00 0.00 O ATOM 0 H SER A 41 -9.355 1.442 -12.103 1.00 0.00 H new ATOM 0 HA SER A 41 -11.923 2.649 -12.470 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.132 0.830 -11.086 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.500 0.975 -10.464 1.00 0.00 H new ATOM 0 HG SER A 41 -12.098 1.468 -8.859 1.00 0.00 H new ATOM 632 N GLU A 42 -9.617 4.316 -10.923 1.00 0.00 N ATOM 633 CA GLU A 42 -9.285 5.597 -10.311 1.00 0.00 C ATOM 634 C GLU A 42 -9.045 6.662 -11.377 1.00 0.00 C ATOM 635 O GLU A 42 -9.549 7.781 -11.277 1.00 0.00 O ATOM 636 CB GLU A 42 -8.046 5.459 -9.424 1.00 0.00 C ATOM 637 CG GLU A 42 -8.292 5.832 -7.972 1.00 0.00 C ATOM 638 CD GLU A 42 -8.017 4.685 -7.020 1.00 0.00 C ATOM 639 OE1 GLU A 42 -8.769 3.689 -7.058 1.00 0.00 O ATOM 640 OE2 GLU A 42 -7.049 4.784 -6.237 1.00 0.00 O ATOM 0 H GLU A 42 -8.809 3.744 -11.169 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.130 5.906 -9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.689 4.430 -9.471 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.252 6.090 -9.823 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.660 6.679 -7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.326 6.157 -7.854 1.00 0.00 H new ATOM 647 N ALA A 43 -8.270 6.306 -12.397 1.00 0.00 N ATOM 648 CA ALA A 43 -7.964 7.230 -13.482 1.00 0.00 C ATOM 649 C ALA A 43 -9.199 7.509 -14.331 1.00 0.00 C ATOM 650 O ALA A 43 -9.402 8.629 -14.802 1.00 0.00 O ATOM 651 CB ALA A 43 -6.842 6.674 -14.347 1.00 0.00 C ATOM 0 H ALA A 43 -7.843 5.385 -12.494 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.637 8.172 -13.042 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.623 7.374 -15.154 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.949 6.532 -13.738 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.149 5.717 -14.770 1.00 0.00 H new ATOM 657 N HIS A 44 -10.023 6.484 -14.524 1.00 0.00 N ATOM 658 CA HIS A 44 -11.240 6.620 -15.317 1.00 0.00 C ATOM 659 C HIS A 44 -12.078 5.346 -15.249 1.00 0.00 C ATOM 660 O HIS A 44 -12.056 4.511 -16.153 1.00 0.00 O ATOM 661 CB HIS A 44 -10.893 6.939 -16.771 1.00 0.00 C ATOM 662 CG HIS A 44 -11.961 6.540 -17.743 1.00 0.00 C ATOM 663 ND1 HIS A 44 -13.273 6.328 -17.375 1.00 0.00 N ATOM 664 CD2 HIS A 44 -11.905 6.315 -19.077 1.00 0.00 C ATOM 665 CE1 HIS A 44 -13.977 5.988 -18.440 1.00 0.00 C ATOM 666 NE2 HIS A 44 -13.170 5.974 -19.486 1.00 0.00 N ATOM 0 H HIS A 44 -9.870 5.550 -14.142 1.00 0.00 H new ATOM 0 HA HIS A 44 -11.825 7.441 -14.902 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.709 8.009 -16.866 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.965 6.431 -17.034 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.028 6.390 -19.703 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -15.033 5.760 -18.453 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -13.443 5.747 -20.442 1.00 0.00 H new ATOM 674 N PRO A 45 -12.833 5.192 -14.152 1.00 0.00 N ATOM 675 CA PRO A 45 -13.692 4.022 -13.940 1.00 0.00 C ATOM 676 C PRO A 45 -14.888 4.002 -14.885 1.00 0.00 C ATOM 677 O PRO A 45 -14.907 4.711 -15.892 1.00 0.00 O ATOM 678 CB PRO A 45 -14.158 4.183 -12.491 1.00 0.00 C ATOM 679 CG PRO A 45 -14.074 5.646 -12.225 1.00 0.00 C ATOM 680 CD PRO A 45 -12.909 6.147 -13.034 1.00 0.00 C ATOM 0 HA PRO A 45 -13.164 3.088 -14.131 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.175 3.815 -12.359 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.524 3.619 -11.807 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.996 6.149 -12.516 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.925 5.842 -11.163 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.073 7.165 -13.386 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.989 6.156 -12.450 1.00 0.00 H new ATOM 688 N ASP A 46 -15.883 3.186 -14.555 1.00 0.00 N ATOM 689 CA ASP A 46 -17.084 3.075 -15.375 1.00 0.00 C ATOM 690 C ASP A 46 -18.338 3.284 -14.533 1.00 0.00 C ATOM 691 O ASP A 46 -19.453 3.020 -14.985 1.00 0.00 O ATOM 692 CB ASP A 46 -17.136 1.708 -16.059 1.00 0.00 C ATOM 693 CG ASP A 46 -17.398 1.815 -17.548 1.00 0.00 C ATOM 694 OD1 ASP A 46 -16.551 2.394 -18.261 1.00 0.00 O ATOM 695 OD2 ASP A 46 -18.451 1.319 -18.002 1.00 0.00 O ATOM 0 H ASP A 46 -15.882 2.592 -13.726 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.046 3.853 -16.138 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.192 1.187 -15.896 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -17.917 1.104 -15.598 1.00 0.00 H new ATOM 700 N CYS A 47 -18.149 3.759 -13.306 1.00 0.00 N ATOM 701 CA CYS A 47 -19.265 4.001 -12.399 1.00 0.00 C ATOM 702 C CYS A 47 -18.779 4.122 -10.959 1.00 0.00 C ATOM 703 O CYS A 47 -18.642 5.226 -10.430 1.00 0.00 O ATOM 704 CB CYS A 47 -20.293 2.875 -12.510 1.00 0.00 C ATOM 705 SG CYS A 47 -21.789 3.328 -13.421 1.00 0.00 S ATOM 0 H CYS A 47 -17.233 3.984 -12.917 1.00 0.00 H new ATOM 0 HA CYS A 47 -19.735 4.942 -12.685 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -19.828 2.019 -12.999 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -20.574 2.554 -11.507 1.00 0.00 H new ATOM 0 HG CYS A 47 -21.510 3.438 -14.686 1.00 0.00 H new ATOM 711 N ILE A 48 -18.521 2.981 -10.329 1.00 0.00 N ATOM 712 CA ILE A 48 -18.051 2.960 -8.950 1.00 0.00 C ATOM 713 C ILE A 48 -17.345 1.646 -8.630 1.00 0.00 C ATOM 714 O ILE A 48 -17.653 0.970 -7.648 1.00 0.00 O ATOM 715 CB ILE A 48 -19.210 3.162 -7.957 1.00 0.00 C ATOM 716 CG1 ILE A 48 -20.507 2.586 -8.529 1.00 0.00 C ATOM 717 CG2 ILE A 48 -19.378 4.639 -7.631 1.00 0.00 C ATOM 718 CD1 ILE A 48 -21.309 1.787 -7.526 1.00 0.00 C ATOM 0 H ILE A 48 -18.630 2.059 -10.752 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.346 3.784 -8.844 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.975 2.631 -7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -21.122 3.403 -8.906 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.267 1.949 -9.380 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -20.201 4.765 -6.928 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -18.459 5.020 -7.186 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.594 5.191 -8.546 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.214 1.410 -8.002 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -20.712 0.949 -7.167 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -21.580 2.426 -6.685 1.00 0.00 H new ATOM 730 N PRO A 49 -16.374 1.275 -9.477 1.00 0.00 N ATOM 731 CA PRO A 49 -15.602 0.040 -9.303 1.00 0.00 C ATOM 732 C PRO A 49 -14.665 0.106 -8.103 1.00 0.00 C ATOM 733 O PRO A 49 -14.393 1.184 -7.574 1.00 0.00 O ATOM 734 CB PRO A 49 -14.800 -0.061 -10.603 1.00 0.00 C ATOM 735 CG PRO A 49 -14.684 1.342 -11.088 1.00 0.00 C ATOM 736 CD PRO A 49 -15.953 2.031 -10.668 1.00 0.00 C ATOM 0 HA PRO A 49 -16.245 -0.820 -9.114 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -13.818 -0.502 -10.429 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -15.308 -0.691 -11.333 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.812 1.833 -10.657 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.564 1.372 -12.171 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -15.782 3.082 -10.437 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -16.708 1.996 -11.453 1.00 0.00 H new ATOM 744 N ASP A 50 -14.174 -1.052 -7.677 1.00 0.00 N ATOM 745 CA ASP A 50 -13.265 -1.126 -6.539 1.00 0.00 C ATOM 746 C ASP A 50 -12.302 -2.300 -6.687 1.00 0.00 C ATOM 747 O ASP A 50 -12.712 -3.461 -6.651 1.00 0.00 O ATOM 748 CB ASP A 50 -14.055 -1.259 -5.236 1.00 0.00 C ATOM 749 CG ASP A 50 -13.397 -0.528 -4.083 1.00 0.00 C ATOM 750 OD1 ASP A 50 -12.566 -1.146 -3.386 1.00 0.00 O ATOM 751 OD2 ASP A 50 -13.715 0.662 -3.876 1.00 0.00 O ATOM 0 H ASP A 50 -14.390 -1.953 -8.103 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.683 -0.205 -6.510 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.062 -0.868 -5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.157 -2.314 -4.982 1.00 0.00 H new ATOM 756 N VAL A 51 -11.020 -1.990 -6.855 1.00 0.00 N ATOM 757 CA VAL A 51 -9.999 -3.020 -7.008 1.00 0.00 C ATOM 758 C VAL A 51 -9.222 -3.220 -5.712 1.00 0.00 C ATOM 759 O VAL A 51 -8.468 -2.345 -5.288 1.00 0.00 O ATOM 760 CB VAL A 51 -9.012 -2.667 -8.137 1.00 0.00 C ATOM 761 CG1 VAL A 51 -8.361 -3.925 -8.690 1.00 0.00 C ATOM 762 CG2 VAL A 51 -9.719 -1.893 -9.240 1.00 0.00 C ATOM 0 H VAL A 51 -10.664 -1.035 -6.889 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.517 -3.945 -7.264 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.227 -2.032 -7.725 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.667 -3.656 -9.486 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.819 -4.434 -7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.130 -4.588 -9.087 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.007 -1.652 -10.029 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.525 -2.501 -9.652 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.132 -0.971 -8.830 1.00 0.00 H new ATOM 772 N GLU A 52 -9.411 -4.379 -5.088 1.00 0.00 N ATOM 773 CA GLU A 52 -8.727 -4.694 -3.840 1.00 0.00 C ATOM 774 C GLU A 52 -7.645 -5.747 -4.063 1.00 0.00 C ATOM 775 O GLU A 52 -7.807 -6.657 -4.876 1.00 0.00 O ATOM 776 CB GLU A 52 -9.729 -5.190 -2.795 1.00 0.00 C ATOM 777 CG GLU A 52 -9.075 -5.821 -1.577 1.00 0.00 C ATOM 778 CD GLU A 52 -10.068 -6.113 -0.468 1.00 0.00 C ATOM 779 OE1 GLU A 52 -10.614 -5.149 0.107 1.00 0.00 O ATOM 780 OE2 GLU A 52 -10.297 -7.305 -0.175 1.00 0.00 O ATOM 0 H GLU A 52 -10.032 -5.114 -5.426 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.253 -3.783 -3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.349 -4.353 -2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.394 -5.919 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.583 -6.748 -1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.300 -5.155 -1.199 1.00 0.00 H new ATOM 787 N LEU A 53 -6.541 -5.616 -3.335 1.00 0.00 N ATOM 788 CA LEU A 53 -5.431 -6.555 -3.453 1.00 0.00 C ATOM 789 C LEU A 53 -5.147 -7.232 -2.116 1.00 0.00 C ATOM 790 O LEU A 53 -4.841 -6.568 -1.125 1.00 0.00 O ATOM 791 CB LEU A 53 -4.177 -5.833 -3.949 1.00 0.00 C ATOM 792 CG LEU A 53 -2.845 -6.527 -3.662 1.00 0.00 C ATOM 793 CD1 LEU A 53 -2.388 -6.239 -2.240 1.00 0.00 C ATOM 794 CD2 LEU A 53 -2.965 -8.027 -3.892 1.00 0.00 C ATOM 0 H LEU A 53 -6.391 -4.869 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.711 -7.322 -4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.266 -5.692 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.151 -4.841 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.096 -6.133 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.439 -6.741 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.262 -5.164 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.136 -6.605 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.008 -8.505 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.727 -8.437 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.246 -8.215 -4.928 1.00 0.00 H new ATOM 806 N SER A 54 -5.248 -8.557 -2.096 1.00 0.00 N ATOM 807 CA SER A 54 -5.003 -9.324 -0.880 1.00 0.00 C ATOM 808 C SER A 54 -3.811 -10.259 -1.059 1.00 0.00 C ATOM 809 O SER A 54 -3.376 -10.522 -2.181 1.00 0.00 O ATOM 810 CB SER A 54 -6.246 -10.131 -0.502 1.00 0.00 C ATOM 811 OG SER A 54 -6.602 -9.914 0.853 1.00 0.00 O ATOM 0 H SER A 54 -5.498 -9.122 -2.908 1.00 0.00 H new ATOM 0 HA SER A 54 -4.776 -8.623 -0.077 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.077 -9.850 -1.149 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.059 -11.192 -0.667 1.00 0.00 H new ATOM 0 HG SER A 54 -7.400 -10.439 1.070 1.00 0.00 H new ATOM 817 N HIS A 55 -3.286 -10.759 0.055 1.00 0.00 N ATOM 818 CA HIS A 55 -2.145 -11.666 0.023 1.00 0.00 C ATOM 819 C HIS A 55 -2.452 -12.896 -0.825 1.00 0.00 C ATOM 820 O HIS A 55 -2.989 -13.886 -0.330 1.00 0.00 O ATOM 821 CB HIS A 55 -1.765 -12.092 1.442 1.00 0.00 C ATOM 822 CG HIS A 55 -0.304 -11.946 1.740 1.00 0.00 C ATOM 823 ND1 HIS A 55 0.201 -10.961 2.562 1.00 0.00 N ATOM 824 CD2 HIS A 55 0.761 -12.669 1.323 1.00 0.00 C ATOM 825 CE1 HIS A 55 1.514 -11.083 2.636 1.00 0.00 C ATOM 826 NE2 HIS A 55 1.880 -12.112 1.893 1.00 0.00 N ATOM 0 H HIS A 55 -3.633 -10.551 0.991 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.305 -11.137 -0.427 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.334 -11.497 2.156 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.056 -13.132 1.590 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.736 -13.525 0.665 1.00 0.00 H new ATOM 0 HE1 HIS A 55 2.176 -10.449 3.207 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.837 -12.440 1.764 1.00 0.00 H new ATOM 834 N GLY A 56 -2.107 -12.826 -2.108 1.00 0.00 N ATOM 835 CA GLY A 56 -2.355 -13.940 -3.004 1.00 0.00 C ATOM 836 C GLY A 56 -3.730 -13.879 -3.639 1.00 0.00 C ATOM 837 O GLY A 56 -4.205 -14.863 -4.205 1.00 0.00 O ATOM 0 H GLY A 56 -1.661 -12.018 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.597 -13.948 -3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.254 -14.875 -2.453 1.00 0.00 H new ATOM 841 N VAL A 57 -4.373 -12.719 -3.543 1.00 0.00 N ATOM 842 CA VAL A 57 -5.703 -12.533 -4.112 1.00 0.00 C ATOM 843 C VAL A 57 -5.850 -11.143 -4.722 1.00 0.00 C ATOM 844 O VAL A 57 -5.227 -10.185 -4.266 1.00 0.00 O ATOM 845 CB VAL A 57 -6.801 -12.735 -3.051 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.099 -13.183 -3.704 1.00 0.00 C ATOM 847 CG2 VAL A 57 -6.348 -13.738 -2.001 1.00 0.00 C ATOM 0 H VAL A 57 -3.995 -11.894 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.821 -13.284 -4.893 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.983 -11.782 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.863 -13.321 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.429 -12.425 -4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.937 -14.125 -4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.136 -13.869 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.137 -14.695 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.446 -13.370 -1.512 1.00 0.00 H new ATOM 857 N MET A 58 -6.680 -11.042 -5.755 1.00 0.00 N ATOM 858 CA MET A 58 -6.911 -9.768 -6.427 1.00 0.00 C ATOM 859 C MET A 58 -8.398 -9.556 -6.694 1.00 0.00 C ATOM 860 O MET A 58 -8.932 -10.025 -7.699 1.00 0.00 O ATOM 861 CB MET A 58 -6.131 -9.712 -7.742 1.00 0.00 C ATOM 862 CG MET A 58 -6.355 -8.430 -8.527 1.00 0.00 C ATOM 863 SD MET A 58 -7.182 -8.716 -10.104 1.00 0.00 S ATOM 864 CE MET A 58 -8.802 -8.032 -9.765 1.00 0.00 C ATOM 0 H MET A 58 -7.203 -11.826 -6.145 1.00 0.00 H new ATOM 0 HA MET A 58 -6.561 -8.971 -5.771 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.067 -9.817 -7.529 1.00 0.00 H new ATOM 0 HB3 MET A 58 -6.417 -10.562 -8.361 1.00 0.00 H new ATOM 0 HG2 MET A 58 -6.951 -7.741 -7.928 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.395 -7.946 -8.707 1.00 0.00 H new ATOM 0 HE1 MET A 58 -9.527 -8.841 -9.673 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.770 -7.466 -8.834 1.00 0.00 H new ATOM 0 HE3 MET A 58 -9.096 -7.372 -10.581 1.00 0.00 H new ATOM 874 N THR A 59 -9.062 -8.846 -5.788 1.00 0.00 N ATOM 875 CA THR A 59 -10.487 -8.573 -5.925 1.00 0.00 C ATOM 876 C THR A 59 -10.730 -7.333 -6.778 1.00 0.00 C ATOM 877 O THR A 59 -9.985 -6.355 -6.696 1.00 0.00 O ATOM 878 CB THR A 59 -11.156 -8.376 -4.552 1.00 0.00 C ATOM 879 OG1 THR A 59 -10.245 -8.734 -3.507 1.00 0.00 O ATOM 880 CG2 THR A 59 -12.419 -9.217 -4.440 1.00 0.00 C ATOM 0 H THR A 59 -8.635 -8.449 -4.951 1.00 0.00 H new ATOM 0 HA THR A 59 -10.929 -9.441 -6.415 1.00 0.00 H new ATOM 0 HB THR A 59 -11.428 -7.325 -4.452 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.678 -8.604 -2.637 1.00 0.00 H new ATOM 0 HG21 THR A 59 -12.874 -9.061 -3.462 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.123 -8.922 -5.219 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.166 -10.271 -4.559 1.00 0.00 H new ATOM 888 N LEU A 60 -11.776 -7.378 -7.595 1.00 0.00 N ATOM 889 CA LEU A 60 -12.117 -6.257 -8.464 1.00 0.00 C ATOM 890 C LEU A 60 -13.626 -6.166 -8.667 1.00 0.00 C ATOM 891 O LEU A 60 -14.189 -6.854 -9.518 1.00 0.00 O ATOM 892 CB LEU A 60 -11.417 -6.401 -9.815 1.00 0.00 C ATOM 893 CG LEU A 60 -11.966 -5.539 -10.952 1.00 0.00 C ATOM 894 CD1 LEU A 60 -11.296 -4.174 -10.959 1.00 0.00 C ATOM 895 CD2 LEU A 60 -11.775 -6.236 -12.291 1.00 0.00 C ATOM 0 H LEU A 60 -12.403 -8.179 -7.674 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.777 -5.340 -7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.362 -6.162 -9.682 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.471 -7.446 -10.120 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.034 -5.396 -10.789 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.700 -3.575 -11.775 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.486 -3.671 -10.011 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.222 -4.297 -11.096 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.172 -5.607 -13.088 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.713 -6.411 -12.462 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.303 -7.189 -12.284 1.00 0.00 H new ATOM 907 N GLU A 61 -14.274 -5.311 -7.882 1.00 0.00 N ATOM 908 CA GLU A 61 -15.718 -5.130 -7.978 1.00 0.00 C ATOM 909 C GLU A 61 -16.074 -4.205 -9.138 1.00 0.00 C ATOM 910 O GLU A 61 -15.526 -3.109 -9.262 1.00 0.00 O ATOM 911 CB GLU A 61 -16.271 -4.562 -6.669 1.00 0.00 C ATOM 912 CG GLU A 61 -17.711 -4.087 -6.772 1.00 0.00 C ATOM 913 CD GLU A 61 -18.642 -4.844 -5.846 1.00 0.00 C ATOM 914 OE1 GLU A 61 -18.650 -6.091 -5.900 1.00 0.00 O ATOM 915 OE2 GLU A 61 -19.364 -4.187 -5.065 1.00 0.00 O ATOM 0 H GLU A 61 -13.822 -4.733 -7.173 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.170 -6.105 -8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.204 -5.326 -5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.644 -3.729 -6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.757 -3.024 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -18.055 -4.201 -7.800 1.00 0.00 H new ATOM 922 N ILE A 62 -16.995 -4.654 -9.984 1.00 0.00 N ATOM 923 CA ILE A 62 -17.424 -3.867 -11.133 1.00 0.00 C ATOM 924 C ILE A 62 -18.939 -3.695 -11.146 1.00 0.00 C ATOM 925 O ILE A 62 -19.680 -4.532 -11.662 1.00 0.00 O ATOM 926 CB ILE A 62 -16.982 -4.517 -12.458 1.00 0.00 C ATOM 927 CG1 ILE A 62 -15.564 -5.077 -12.328 1.00 0.00 C ATOM 928 CG2 ILE A 62 -17.057 -3.508 -13.594 1.00 0.00 C ATOM 929 CD1 ILE A 62 -14.505 -4.009 -12.164 1.00 0.00 C ATOM 0 H ILE A 62 -17.458 -5.558 -9.895 1.00 0.00 H new ATOM 0 HA ILE A 62 -16.950 -2.890 -11.041 1.00 0.00 H new ATOM 0 HB ILE A 62 -17.659 -5.341 -12.685 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -15.525 -5.750 -11.472 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -15.335 -5.672 -13.212 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -16.742 -3.982 -14.523 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -18.082 -3.152 -13.698 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -16.401 -2.665 -13.376 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -13.525 -4.478 -12.078 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -14.516 -3.349 -13.032 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -14.710 -3.429 -11.264 1.00 0.00 H new ATOM 941 N PRO A 63 -19.413 -2.582 -10.566 1.00 0.00 N ATOM 942 CA PRO A 63 -20.844 -2.272 -10.499 1.00 0.00 C ATOM 943 C PRO A 63 -21.426 -1.925 -11.865 1.00 0.00 C ATOM 944 O PRO A 63 -21.863 -0.798 -12.096 1.00 0.00 O ATOM 945 CB PRO A 63 -20.901 -1.057 -9.570 1.00 0.00 C ATOM 946 CG PRO A 63 -19.561 -0.418 -9.699 1.00 0.00 C ATOM 947 CD PRO A 63 -18.588 -1.541 -9.931 1.00 0.00 C ATOM 0 HA PRO A 63 -21.429 -3.122 -10.148 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -21.696 -0.372 -9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -21.100 -1.355 -8.541 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -19.544 0.290 -10.527 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.306 0.140 -8.798 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.765 -1.232 -10.575 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -18.148 -1.891 -8.997 1.00 0.00 H new ATOM 955 N ALA A 64 -21.429 -2.901 -12.767 1.00 0.00 N ATOM 956 CA ALA A 64 -21.960 -2.699 -14.109 1.00 0.00 C ATOM 957 C ALA A 64 -21.939 -3.998 -14.909 1.00 0.00 C ATOM 958 O ALA A 64 -22.791 -4.223 -15.769 1.00 0.00 O ATOM 959 CB ALA A 64 -21.171 -1.618 -14.832 1.00 0.00 C ATOM 0 H ALA A 64 -21.070 -3.839 -12.592 1.00 0.00 H new ATOM 0 HA ALA A 64 -22.997 -2.376 -14.018 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -21.579 -1.478 -15.833 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -21.242 -0.683 -14.277 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.126 -1.918 -14.905 1.00 0.00 H new ATOM 965 N PHE A 65 -20.959 -4.848 -14.621 1.00 0.00 N ATOM 966 CA PHE A 65 -20.825 -6.123 -15.316 1.00 0.00 C ATOM 967 C PHE A 65 -20.776 -7.281 -14.322 1.00 0.00 C ATOM 968 O PHE A 65 -21.125 -8.413 -14.654 1.00 0.00 O ATOM 969 CB PHE A 65 -19.565 -6.127 -16.183 1.00 0.00 C ATOM 970 CG PHE A 65 -19.004 -4.756 -16.430 1.00 0.00 C ATOM 971 CD1 PHE A 65 -19.825 -3.723 -16.853 1.00 0.00 C ATOM 972 CD2 PHE A 65 -17.655 -4.499 -16.240 1.00 0.00 C ATOM 973 CE1 PHE A 65 -19.311 -2.460 -17.082 1.00 0.00 C ATOM 974 CE2 PHE A 65 -17.136 -3.239 -16.467 1.00 0.00 C ATOM 975 CZ PHE A 65 -17.965 -2.218 -16.888 1.00 0.00 C ATOM 0 H PHE A 65 -20.246 -4.677 -13.912 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.698 -6.252 -15.956 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -18.804 -6.741 -15.701 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -19.794 -6.595 -17.140 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.878 -3.906 -17.006 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -17.002 -5.294 -15.911 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.961 -1.663 -17.412 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.083 -3.053 -16.315 1.00 0.00 H new ATOM 0 HZ PHE A 65 -17.562 -1.232 -17.065 1.00 0.00 H new ATOM 985 N GLY A 66 -20.340 -6.987 -13.101 1.00 0.00 N ATOM 986 CA GLY A 66 -20.251 -8.012 -12.078 1.00 0.00 C ATOM 987 C GLY A 66 -19.060 -7.817 -11.162 1.00 0.00 C ATOM 988 O GLY A 66 -18.631 -6.688 -10.920 1.00 0.00 O ATOM 0 H GLY A 66 -20.047 -6.057 -12.802 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -21.166 -8.009 -11.485 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -20.183 -8.990 -12.554 1.00 0.00 H new ATOM 992 N THR A 67 -18.522 -8.919 -10.650 1.00 0.00 N ATOM 993 CA THR A 67 -17.374 -8.864 -9.753 1.00 0.00 C ATOM 994 C THR A 67 -16.232 -9.732 -10.268 1.00 0.00 C ATOM 995 O THR A 67 -16.372 -10.949 -10.392 1.00 0.00 O ATOM 996 CB THR A 67 -17.750 -9.320 -8.331 1.00 0.00 C ATOM 997 OG1 THR A 67 -19.116 -8.991 -8.056 1.00 0.00 O ATOM 998 CG2 THR A 67 -16.847 -8.665 -7.296 1.00 0.00 C ATOM 0 H THR A 67 -18.863 -9.861 -10.841 1.00 0.00 H new ATOM 0 HA THR A 67 -17.049 -7.824 -9.719 1.00 0.00 H new ATOM 0 HB THR A 67 -17.618 -10.400 -8.273 1.00 0.00 H new ATOM 0 HG1 THR A 67 -19.348 -9.286 -7.151 1.00 0.00 H new ATOM 0 HG21 THR A 67 -17.132 -9.002 -6.299 1.00 0.00 H new ATOM 0 HG22 THR A 67 -15.811 -8.941 -7.490 1.00 0.00 H new ATOM 0 HG23 THR A 67 -16.951 -7.582 -7.356 1.00 0.00 H new ATOM 1006 N TYR A 68 -15.102 -9.100 -10.565 1.00 0.00 N ATOM 1007 CA TYR A 68 -13.935 -9.816 -11.068 1.00 0.00 C ATOM 1008 C TYR A 68 -12.999 -10.201 -9.927 1.00 0.00 C ATOM 1009 O TYR A 68 -12.633 -9.367 -9.099 1.00 0.00 O ATOM 1010 CB TYR A 68 -13.186 -8.958 -12.089 1.00 0.00 C ATOM 1011 CG TYR A 68 -13.516 -9.300 -13.525 1.00 0.00 C ATOM 1012 CD1 TYR A 68 -13.343 -10.590 -14.009 1.00 0.00 C ATOM 1013 CD2 TYR A 68 -14.001 -8.332 -14.396 1.00 0.00 C ATOM 1014 CE1 TYR A 68 -13.643 -10.907 -15.320 1.00 0.00 C ATOM 1015 CE2 TYR A 68 -14.304 -8.640 -15.708 1.00 0.00 C ATOM 1016 CZ TYR A 68 -14.123 -9.928 -16.166 1.00 0.00 C ATOM 1017 OH TYR A 68 -14.424 -10.240 -17.472 1.00 0.00 O ATOM 0 H TYR A 68 -14.969 -8.094 -10.466 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.281 -10.728 -11.554 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -13.421 -7.909 -11.911 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -12.114 -9.076 -11.933 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.968 -11.359 -13.350 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -14.143 -7.322 -14.041 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -13.503 -11.915 -15.681 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -14.681 -7.876 -16.372 1.00 0.00 H new ATOM 0 HH TYR A 68 -13.875 -10.999 -17.762 1.00 0.00 H new ATOM 1027 N VAL A 69 -12.613 -11.473 -9.890 1.00 0.00 N ATOM 1028 CA VAL A 69 -11.718 -11.971 -8.853 1.00 0.00 C ATOM 1029 C VAL A 69 -10.592 -12.805 -9.453 1.00 0.00 C ATOM 1030 O VAL A 69 -10.819 -13.626 -10.342 1.00 0.00 O ATOM 1031 CB VAL A 69 -12.477 -12.823 -7.818 1.00 0.00 C ATOM 1032 CG1 VAL A 69 -11.749 -12.816 -6.483 1.00 0.00 C ATOM 1033 CG2 VAL A 69 -13.904 -12.321 -7.659 1.00 0.00 C ATOM 0 H VAL A 69 -12.907 -12.177 -10.567 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.295 -11.099 -8.355 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.516 -13.851 -8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.300 -13.423 -5.765 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.748 -13.227 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.677 -11.793 -6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -14.426 -12.934 -6.924 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -13.890 -11.284 -7.322 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -14.421 -12.384 -8.617 1.00 0.00 H new ATOM 1043 N ILE A 70 -9.376 -12.588 -8.962 1.00 0.00 N ATOM 1044 CA ILE A 70 -8.214 -13.321 -9.448 1.00 0.00 C ATOM 1045 C ILE A 70 -7.232 -13.608 -8.318 1.00 0.00 C ATOM 1046 O ILE A 70 -6.592 -12.699 -7.792 1.00 0.00 O ATOM 1047 CB ILE A 70 -7.485 -12.545 -10.561 1.00 0.00 C ATOM 1048 CG1 ILE A 70 -8.437 -11.547 -11.225 1.00 0.00 C ATOM 1049 CG2 ILE A 70 -6.914 -13.507 -11.592 1.00 0.00 C ATOM 1050 CD1 ILE A 70 -7.840 -10.853 -12.429 1.00 0.00 C ATOM 0 H ILE A 70 -9.170 -11.910 -8.228 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.583 -14.263 -9.853 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.660 -11.990 -10.115 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.344 -12.069 -11.529 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.732 -10.796 -10.492 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.402 -12.943 -12.372 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.207 -14.181 -11.108 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.723 -14.087 -12.036 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.570 -10.161 -12.849 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.949 -10.302 -12.127 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.570 -11.595 -13.180 1.00 0.00 H new ATOM 1062 N ASN A 71 -7.119 -14.881 -7.950 1.00 0.00 N ATOM 1063 CA ASN A 71 -6.214 -15.289 -6.882 1.00 0.00 C ATOM 1064 C ASN A 71 -5.176 -16.282 -7.398 1.00 0.00 C ATOM 1065 O ASN A 71 -5.363 -16.905 -8.443 1.00 0.00 O ATOM 1066 CB ASN A 71 -7.002 -15.912 -5.727 1.00 0.00 C ATOM 1067 CG ASN A 71 -6.443 -17.257 -5.305 1.00 0.00 C ATOM 1068 OD1 ASN A 71 -6.580 -18.251 -6.019 1.00 0.00 O ATOM 1069 ND2 ASN A 71 -5.808 -17.294 -4.139 1.00 0.00 N ATOM 0 H ASN A 71 -7.642 -15.646 -8.375 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.694 -14.401 -6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.990 -15.233 -4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.044 -16.032 -6.024 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.410 -18.171 -3.803 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.718 -16.446 -3.580 1.00 0.00 H new ATOM 1076 N LYS A 72 -4.082 -16.423 -6.657 1.00 0.00 N ATOM 1077 CA LYS A 72 -3.014 -17.341 -7.037 1.00 0.00 C ATOM 1078 C LYS A 72 -2.248 -17.823 -5.809 1.00 0.00 C ATOM 1079 O LYS A 72 -1.056 -17.555 -5.667 1.00 0.00 O ATOM 1080 CB LYS A 72 -2.054 -16.662 -8.016 1.00 0.00 C ATOM 1081 CG LYS A 72 -0.935 -17.568 -8.498 1.00 0.00 C ATOM 1082 CD LYS A 72 -1.408 -19.004 -8.654 1.00 0.00 C ATOM 1083 CE LYS A 72 -0.261 -19.931 -9.025 1.00 0.00 C ATOM 1084 NZ LYS A 72 1.057 -19.241 -8.953 1.00 0.00 N ATOM 0 H LYS A 72 -3.912 -15.913 -5.790 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.467 -18.205 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.619 -16.306 -8.878 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.619 -15.785 -7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.556 -17.203 -9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.106 -17.532 -7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.863 -19.341 -7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.180 -19.053 -9.422 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.258 -20.791 -8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.416 -20.314 -10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.809 -19.944 -8.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.230 -18.728 -9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.054 -18.568 -8.160 1.00 0.00 H new ATOM 1098 N GLN A 73 -2.941 -18.535 -4.927 1.00 0.00 N ATOM 1099 CA GLN A 73 -2.325 -19.055 -3.712 1.00 0.00 C ATOM 1100 C GLN A 73 -3.002 -20.347 -3.268 1.00 0.00 C ATOM 1101 O GLN A 73 -3.284 -20.555 -2.087 1.00 0.00 O ATOM 1102 CB GLN A 73 -2.399 -18.015 -2.593 1.00 0.00 C ATOM 1103 CG GLN A 73 -1.551 -18.364 -1.381 1.00 0.00 C ATOM 1104 CD GLN A 73 -0.531 -17.291 -1.053 1.00 0.00 C ATOM 1105 OE1 GLN A 73 0.162 -16.786 -1.937 1.00 0.00 O ATOM 1106 NE2 GLN A 73 -0.434 -16.936 0.223 1.00 0.00 N ATOM 0 H GLN A 73 -3.929 -18.765 -5.031 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.279 -19.271 -3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.079 -17.049 -2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.437 -17.904 -2.280 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.201 -18.517 -0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.035 -19.307 -1.563 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.028 -17.381 0.923 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.235 -16.219 0.503 1.00 0.00 H new ATOM 1115 N PRO A 74 -3.270 -21.238 -4.234 1.00 0.00 N ATOM 1116 CA PRO A 74 -3.917 -22.526 -3.966 1.00 0.00 C ATOM 1117 C PRO A 74 -3.009 -23.482 -3.201 1.00 0.00 C ATOM 1118 O PRO A 74 -1.816 -23.236 -3.024 1.00 0.00 O ATOM 1119 CB PRO A 74 -4.212 -23.072 -5.365 1.00 0.00 C ATOM 1120 CG PRO A 74 -3.203 -22.421 -6.247 1.00 0.00 C ATOM 1121 CD PRO A 74 -2.962 -21.056 -5.662 1.00 0.00 C ATOM 0 HA PRO A 74 -4.803 -22.415 -3.341 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.121 -24.158 -5.393 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -5.227 -22.829 -5.679 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.280 -23.001 -6.279 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.569 -22.348 -7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.933 -20.730 -5.813 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.605 -20.304 -6.119 1.00 0.00 H new ATOM 1129 N PRO A 75 -3.585 -24.601 -2.735 1.00 0.00 N ATOM 1130 CA PRO A 75 -2.845 -25.617 -1.982 1.00 0.00 C ATOM 1131 C PRO A 75 -1.850 -26.376 -2.854 1.00 0.00 C ATOM 1132 O PRO A 75 -1.185 -27.302 -2.392 1.00 0.00 O ATOM 1133 CB PRO A 75 -3.944 -26.558 -1.482 1.00 0.00 C ATOM 1134 CG PRO A 75 -5.057 -26.392 -2.458 1.00 0.00 C ATOM 1135 CD PRO A 75 -5.003 -24.959 -2.908 1.00 0.00 C ATOM 0 HA PRO A 75 -2.246 -25.177 -1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.597 -27.591 -1.449 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.260 -26.296 -0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.940 -27.071 -3.303 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.018 -26.620 -1.997 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.321 -24.851 -3.945 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.654 -24.324 -2.307 1.00 0.00 H new ATOM 1143 N ASN A 76 -1.754 -25.976 -4.118 1.00 0.00 N ATOM 1144 CA ASN A 76 -0.840 -26.619 -5.056 1.00 0.00 C ATOM 1145 C ASN A 76 -0.157 -25.585 -5.945 1.00 0.00 C ATOM 1146 O ASN A 76 0.892 -25.043 -5.594 1.00 0.00 O ATOM 1147 CB ASN A 76 -1.593 -27.633 -5.919 1.00 0.00 C ATOM 1148 CG ASN A 76 -0.796 -28.059 -7.137 1.00 0.00 C ATOM 1149 OD1 ASN A 76 -1.130 -27.703 -8.267 1.00 0.00 O ATOM 1150 ND2 ASN A 76 0.265 -28.826 -6.912 1.00 0.00 N ATOM 0 H ASN A 76 -2.297 -25.210 -4.516 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.074 -27.139 -4.481 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.832 -28.511 -5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.540 -27.200 -6.241 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.839 -29.144 -7.693 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.505 -29.097 -5.959 1.00 0.00 H new ATOM 1157 N LYS A 77 -0.759 -25.314 -7.098 1.00 0.00 N ATOM 1158 CA LYS A 77 -0.211 -24.343 -8.038 1.00 0.00 C ATOM 1159 C LYS A 77 -1.185 -24.084 -9.183 1.00 0.00 C ATOM 1160 O LYS A 77 -1.184 -24.800 -10.184 1.00 0.00 O ATOM 1161 CB LYS A 77 1.126 -24.839 -8.594 1.00 0.00 C ATOM 1162 CG LYS A 77 1.462 -24.275 -9.964 1.00 0.00 C ATOM 1163 CD LYS A 77 1.212 -25.294 -11.063 1.00 0.00 C ATOM 1164 CE LYS A 77 2.513 -25.897 -11.570 1.00 0.00 C ATOM 1165 NZ LYS A 77 2.846 -27.167 -10.868 1.00 0.00 N ATOM 0 H LYS A 77 -1.627 -25.753 -7.404 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.050 -23.407 -7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.921 -24.574 -7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.104 -25.927 -8.654 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.862 -23.384 -10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.507 -23.965 -9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.565 -26.086 -10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.684 -24.818 -11.889 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.434 -26.084 -12.641 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.324 -25.182 -11.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.739 -27.546 -11.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.947 -26.984 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.085 -27.859 -11.022 1.00 0.00 H new ATOM 1179 N GLN A 78 -2.014 -23.057 -9.028 1.00 0.00 N ATOM 1180 CA GLN A 78 -2.993 -22.705 -10.049 1.00 0.00 C ATOM 1181 C GLN A 78 -3.535 -21.298 -9.821 1.00 0.00 C ATOM 1182 O GLN A 78 -3.384 -20.732 -8.738 1.00 0.00 O ATOM 1183 CB GLN A 78 -4.143 -23.713 -10.053 1.00 0.00 C ATOM 1184 CG GLN A 78 -4.230 -24.531 -11.332 1.00 0.00 C ATOM 1185 CD GLN A 78 -4.678 -25.958 -11.082 1.00 0.00 C ATOM 1186 OE1 GLN A 78 -3.964 -26.909 -11.401 1.00 0.00 O ATOM 1187 NE2 GLN A 78 -5.866 -26.114 -10.510 1.00 0.00 N ATOM 0 H GLN A 78 -2.027 -22.454 -8.205 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.495 -22.730 -11.018 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.025 -24.389 -9.206 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.083 -23.180 -9.907 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.926 -24.051 -12.019 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.255 -24.540 -11.820 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.424 -25.297 -10.262 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.221 -27.051 -10.318 1.00 0.00 H new ATOM 1196 N ILE A 79 -4.167 -20.739 -10.848 1.00 0.00 N ATOM 1197 CA ILE A 79 -4.732 -19.398 -10.759 1.00 0.00 C ATOM 1198 C ILE A 79 -6.256 -19.440 -10.807 1.00 0.00 C ATOM 1199 O ILE A 79 -6.843 -19.976 -11.747 1.00 0.00 O ATOM 1200 CB ILE A 79 -4.218 -18.494 -11.894 1.00 0.00 C ATOM 1201 CG1 ILE A 79 -2.887 -17.850 -11.500 1.00 0.00 C ATOM 1202 CG2 ILE A 79 -5.250 -17.427 -12.230 1.00 0.00 C ATOM 1203 CD1 ILE A 79 -2.373 -16.855 -12.517 1.00 0.00 C ATOM 0 H ILE A 79 -4.301 -21.194 -11.751 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.412 -18.983 -9.803 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.055 -19.107 -12.781 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.006 -17.348 -10.540 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.141 -18.633 -11.360 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.872 -16.796 -13.034 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.177 -17.905 -12.548 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.441 -16.816 -11.348 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.427 -16.438 -12.172 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.222 -17.357 -13.473 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.100 -16.052 -12.640 1.00 0.00 H new ATOM 1215 N TRP A 80 -6.890 -18.869 -9.789 1.00 0.00 N ATOM 1216 CA TRP A 80 -8.346 -18.839 -9.716 1.00 0.00 C ATOM 1217 C TRP A 80 -8.889 -17.506 -10.220 1.00 0.00 C ATOM 1218 O TRP A 80 -8.583 -16.450 -9.664 1.00 0.00 O ATOM 1219 CB TRP A 80 -8.811 -19.084 -8.280 1.00 0.00 C ATOM 1220 CG TRP A 80 -9.009 -20.534 -7.958 1.00 0.00 C ATOM 1221 CD1 TRP A 80 -8.254 -21.582 -8.400 1.00 0.00 C ATOM 1222 CD2 TRP A 80 -10.031 -21.096 -7.128 1.00 0.00 C ATOM 1223 NE1 TRP A 80 -8.745 -22.762 -7.894 1.00 0.00 N ATOM 1224 CE2 TRP A 80 -9.834 -22.490 -7.110 1.00 0.00 C ATOM 1225 CE3 TRP A 80 -11.092 -20.556 -6.396 1.00 0.00 C ATOM 1226 CZ2 TRP A 80 -10.660 -23.349 -6.390 1.00 0.00 C ATOM 1227 CZ3 TRP A 80 -11.911 -21.410 -5.682 1.00 0.00 C ATOM 1228 CH2 TRP A 80 -11.691 -22.794 -5.682 1.00 0.00 C ATOM 0 H TRP A 80 -6.419 -18.421 -9.003 1.00 0.00 H new ATOM 0 HA TRP A 80 -8.733 -19.632 -10.355 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -8.078 -18.663 -7.592 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -9.747 -18.551 -8.113 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -7.397 -21.497 -9.051 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -8.361 -23.690 -8.073 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -11.269 -19.491 -6.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -10.493 -24.416 -6.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -12.735 -21.004 -5.114 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -12.348 -23.435 -5.112 1.00 0.00 H new ATOM 1239 N LEU A 81 -9.696 -17.561 -11.273 1.00 0.00 N ATOM 1240 CA LEU A 81 -10.283 -16.357 -11.851 1.00 0.00 C ATOM 1241 C LEU A 81 -11.805 -16.396 -11.764 1.00 0.00 C ATOM 1242 O LEU A 81 -12.464 -17.076 -12.550 1.00 0.00 O ATOM 1243 CB LEU A 81 -9.848 -16.204 -13.310 1.00 0.00 C ATOM 1244 CG LEU A 81 -10.324 -14.937 -14.023 1.00 0.00 C ATOM 1245 CD1 LEU A 81 -11.788 -15.064 -14.414 1.00 0.00 C ATOM 1246 CD2 LEU A 81 -10.110 -13.716 -13.141 1.00 0.00 C ATOM 0 H LEU A 81 -9.959 -18.426 -11.744 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.927 -15.500 -11.280 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.759 -16.231 -13.348 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.208 -17.068 -13.868 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.735 -14.811 -14.932 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.110 -14.154 -14.920 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.913 -15.915 -15.083 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.392 -15.214 -13.519 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.454 -12.824 -13.665 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.673 -13.833 -12.215 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.049 -13.615 -12.911 1.00 0.00 H new ATOM 1258 N ALA A 82 -12.357 -15.661 -10.804 1.00 0.00 N ATOM 1259 CA ALA A 82 -13.801 -15.609 -10.616 1.00 0.00 C ATOM 1260 C ALA A 82 -14.436 -14.566 -11.530 1.00 0.00 C ATOM 1261 O ALA A 82 -14.312 -13.364 -11.296 1.00 0.00 O ATOM 1262 CB ALA A 82 -14.134 -15.311 -9.162 1.00 0.00 C ATOM 0 H ALA A 82 -11.825 -15.093 -10.144 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.212 -16.584 -10.879 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.216 -15.275 -9.037 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.721 -16.094 -8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.704 -14.350 -8.880 1.00 0.00 H new ATOM 1268 N SER A 83 -15.114 -15.034 -12.573 1.00 0.00 N ATOM 1269 CA SER A 83 -15.765 -14.141 -13.525 1.00 0.00 C ATOM 1270 C SER A 83 -16.751 -13.217 -12.817 1.00 0.00 C ATOM 1271 O SER A 83 -17.079 -13.399 -11.644 1.00 0.00 O ATOM 1272 CB SER A 83 -16.489 -14.950 -14.602 1.00 0.00 C ATOM 1273 OG SER A 83 -15.896 -14.752 -15.874 1.00 0.00 O ATOM 0 H SER A 83 -15.227 -16.026 -12.780 1.00 0.00 H new ATOM 0 HA SER A 83 -14.996 -13.529 -13.996 1.00 0.00 H new ATOM 0 HB2 SER A 83 -16.462 -16.009 -14.346 1.00 0.00 H new ATOM 0 HB3 SER A 83 -17.538 -14.657 -14.637 1.00 0.00 H new ATOM 0 HG SER A 83 -16.376 -15.281 -16.545 1.00 0.00 H new ATOM 1279 N PRO A 84 -17.236 -12.201 -13.546 1.00 0.00 N ATOM 1280 CA PRO A 84 -18.193 -11.228 -13.010 1.00 0.00 C ATOM 1281 C PRO A 84 -19.568 -11.840 -12.767 1.00 0.00 C ATOM 1282 O PRO A 84 -20.471 -11.180 -12.251 1.00 0.00 O ATOM 1283 CB PRO A 84 -18.267 -10.163 -14.106 1.00 0.00 C ATOM 1284 CG PRO A 84 -17.891 -10.879 -15.357 1.00 0.00 C ATOM 1285 CD PRO A 84 -16.889 -11.924 -14.950 1.00 0.00 C ATOM 0 HA PRO A 84 -17.880 -10.840 -12.040 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -19.268 -9.739 -14.179 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -17.585 -9.337 -13.902 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -18.764 -11.336 -15.823 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.463 -10.192 -16.087 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -16.968 -12.819 -15.568 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.866 -11.559 -15.047 1.00 0.00 H new ATOM 1293 N LEU A 85 -19.722 -13.105 -13.143 1.00 0.00 N ATOM 1294 CA LEU A 85 -20.988 -13.808 -12.966 1.00 0.00 C ATOM 1295 C LEU A 85 -20.920 -15.212 -13.557 1.00 0.00 C ATOM 1296 O LEU A 85 -21.785 -15.611 -14.336 1.00 0.00 O ATOM 1297 CB LEU A 85 -22.126 -13.021 -13.620 1.00 0.00 C ATOM 1298 CG LEU A 85 -21.806 -12.375 -14.968 1.00 0.00 C ATOM 1299 CD1 LEU A 85 -21.184 -13.391 -15.914 1.00 0.00 C ATOM 1300 CD2 LEU A 85 -23.061 -11.771 -15.581 1.00 0.00 C ATOM 0 H LEU A 85 -18.986 -13.665 -13.573 1.00 0.00 H new ATOM 0 HA LEU A 85 -21.181 -13.894 -11.897 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -22.975 -13.691 -13.753 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -22.443 -12.238 -12.931 1.00 0.00 H new ATOM 0 HG LEU A 85 -21.085 -11.575 -14.803 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -20.963 -12.912 -16.868 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -20.262 -13.776 -15.479 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -21.881 -14.214 -16.074 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -22.814 -11.316 -16.540 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -23.805 -12.553 -15.731 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -23.464 -11.011 -14.911 1.00 0.00 H new ATOM 1312 N SER A 86 -19.886 -15.957 -13.180 1.00 0.00 N ATOM 1313 CA SER A 86 -19.703 -17.317 -13.674 1.00 0.00 C ATOM 1314 C SER A 86 -19.078 -18.205 -12.603 1.00 0.00 C ATOM 1315 O SER A 86 -19.612 -19.261 -12.266 1.00 0.00 O ATOM 1316 CB SER A 86 -18.824 -17.314 -14.926 1.00 0.00 C ATOM 1317 OG SER A 86 -18.945 -16.090 -15.631 1.00 0.00 O ATOM 0 H SER A 86 -19.162 -15.642 -12.534 1.00 0.00 H new ATOM 0 HA SER A 86 -20.684 -17.719 -13.928 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.783 -17.474 -14.644 1.00 0.00 H new ATOM 0 HB3 SER A 86 -19.109 -18.141 -15.576 1.00 0.00 H new ATOM 0 HG SER A 86 -18.372 -16.112 -16.426 1.00 0.00 H new ATOM 1323 N GLY A 87 -17.941 -17.768 -12.070 1.00 0.00 N ATOM 1324 CA GLY A 87 -17.260 -18.534 -11.042 1.00 0.00 C ATOM 1325 C GLY A 87 -15.754 -18.525 -11.214 1.00 0.00 C ATOM 1326 O GLY A 87 -15.223 -18.002 -12.195 1.00 0.00 O ATOM 0 H GLY A 87 -17.479 -16.897 -12.332 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -17.513 -18.128 -10.063 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -17.619 -19.563 -11.062 1.00 0.00 H new ATOM 1330 N PRO A 88 -15.040 -19.114 -10.244 1.00 0.00 N ATOM 1331 CA PRO A 88 -13.576 -19.184 -10.269 1.00 0.00 C ATOM 1332 C PRO A 88 -13.059 -20.123 -11.353 1.00 0.00 C ATOM 1333 O PRO A 88 -13.571 -21.228 -11.526 1.00 0.00 O ATOM 1334 CB PRO A 88 -13.223 -19.724 -8.881 1.00 0.00 C ATOM 1335 CG PRO A 88 -14.432 -20.480 -8.450 1.00 0.00 C ATOM 1336 CD PRO A 88 -15.607 -19.757 -9.046 1.00 0.00 C ATOM 0 HA PRO A 88 -13.126 -18.217 -10.492 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.345 -20.369 -8.919 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.994 -18.915 -8.188 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -14.391 -21.512 -8.798 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -14.505 -20.513 -7.363 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -16.414 -20.444 -9.302 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -16.021 -19.024 -8.354 1.00 0.00 H new ATOM 1344 N ASN A 89 -12.042 -19.675 -12.082 1.00 0.00 N ATOM 1345 CA ASN A 89 -11.456 -20.477 -13.150 1.00 0.00 C ATOM 1346 C ASN A 89 -10.047 -20.931 -12.780 1.00 0.00 C ATOM 1347 O ASN A 89 -9.181 -20.111 -12.474 1.00 0.00 O ATOM 1348 CB ASN A 89 -11.420 -19.678 -14.454 1.00 0.00 C ATOM 1349 CG ASN A 89 -12.363 -20.238 -15.502 1.00 0.00 C ATOM 1350 OD1 ASN A 89 -12.404 -21.446 -15.734 1.00 0.00 O ATOM 1351 ND2 ASN A 89 -13.127 -19.359 -16.141 1.00 0.00 N ATOM 0 H ASN A 89 -11.607 -18.762 -11.953 1.00 0.00 H new ATOM 0 HA ASN A 89 -12.078 -21.361 -13.290 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -11.684 -18.641 -14.249 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.404 -19.676 -14.848 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.781 -19.677 -16.856 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -13.060 -18.366 -15.916 1.00 0.00 H new ATOM 1358 N ARG A 90 -9.826 -22.241 -12.811 1.00 0.00 N ATOM 1359 CA ARG A 90 -8.523 -22.804 -12.478 1.00 0.00 C ATOM 1360 C ARG A 90 -7.605 -22.809 -13.697 1.00 0.00 C ATOM 1361 O ARG A 90 -7.774 -23.616 -14.611 1.00 0.00 O ATOM 1362 CB ARG A 90 -8.681 -24.227 -11.940 1.00 0.00 C ATOM 1363 CG ARG A 90 -9.600 -24.323 -10.732 1.00 0.00 C ATOM 1364 CD ARG A 90 -10.781 -25.241 -11.003 1.00 0.00 C ATOM 1365 NE ARG A 90 -10.354 -26.573 -11.425 1.00 0.00 N ATOM 1366 CZ ARG A 90 -11.198 -27.546 -11.752 1.00 0.00 C ATOM 1367 NH1 ARG A 90 -12.506 -27.337 -11.706 1.00 0.00 N ATOM 1368 NH2 ARG A 90 -10.732 -28.731 -12.126 1.00 0.00 N ATOM 0 H ARG A 90 -10.532 -22.932 -13.063 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.072 -22.179 -11.707 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.070 -24.865 -12.733 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.699 -24.616 -11.671 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.038 -24.694 -9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.963 -23.329 -10.469 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.390 -25.324 -10.103 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.412 -24.801 -11.775 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.354 -26.767 -11.471 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.867 -26.427 -11.419 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.151 -28.086 -11.958 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.726 -28.895 -12.162 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.380 -29.478 -12.377 1.00 0.00 H new ATOM 1382 N PHE A 91 -6.634 -21.901 -13.704 1.00 0.00 N ATOM 1383 CA PHE A 91 -5.691 -21.800 -14.811 1.00 0.00 C ATOM 1384 C PHE A 91 -4.348 -22.422 -14.440 1.00 0.00 C ATOM 1385 O PHE A 91 -3.828 -22.197 -13.347 1.00 0.00 O ATOM 1386 CB PHE A 91 -5.494 -20.335 -15.208 1.00 0.00 C ATOM 1387 CG PHE A 91 -6.655 -19.759 -15.967 1.00 0.00 C ATOM 1388 CD1 PHE A 91 -6.758 -19.930 -17.338 1.00 0.00 C ATOM 1389 CD2 PHE A 91 -7.644 -19.046 -15.308 1.00 0.00 C ATOM 1390 CE1 PHE A 91 -7.826 -19.400 -18.038 1.00 0.00 C ATOM 1391 CE2 PHE A 91 -8.714 -18.514 -16.003 1.00 0.00 C ATOM 1392 CZ PHE A 91 -8.805 -18.692 -17.369 1.00 0.00 C ATOM 0 H PHE A 91 -6.480 -21.225 -12.956 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.104 -22.348 -15.658 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.328 -19.742 -14.308 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.594 -20.250 -15.817 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.995 -20.484 -17.866 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.578 -18.904 -14.239 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.895 -19.540 -19.107 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.478 -17.960 -15.478 1.00 0.00 H new ATOM 0 HZ PHE A 91 -9.641 -18.278 -17.914 1.00 0.00 H new ATOM 1402 N ASP A 92 -3.793 -23.207 -15.357 1.00 0.00 N ATOM 1403 CA ASP A 92 -2.511 -23.862 -15.128 1.00 0.00 C ATOM 1404 C ASP A 92 -1.386 -23.120 -15.843 1.00 0.00 C ATOM 1405 O ASP A 92 -1.571 -22.603 -16.945 1.00 0.00 O ATOM 1406 CB ASP A 92 -2.564 -25.315 -15.605 1.00 0.00 C ATOM 1407 CG ASP A 92 -1.470 -26.166 -14.992 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -1.529 -26.419 -13.771 1.00 0.00 O ATOM 1409 OD2 ASP A 92 -0.554 -26.579 -15.734 1.00 0.00 O ATOM 0 H ASP A 92 -4.211 -23.405 -16.266 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.309 -23.846 -14.057 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.535 -25.741 -15.354 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.475 -25.341 -16.691 1.00 0.00 H new ATOM 1414 N LEU A 93 -0.220 -23.070 -15.208 1.00 0.00 N ATOM 1415 CA LEU A 93 0.936 -22.390 -15.782 1.00 0.00 C ATOM 1416 C LEU A 93 1.474 -23.155 -16.987 1.00 0.00 C ATOM 1417 O LEU A 93 2.006 -24.257 -16.849 1.00 0.00 O ATOM 1418 CB LEU A 93 2.035 -22.234 -14.730 1.00 0.00 C ATOM 1419 CG LEU A 93 3.460 -22.530 -15.198 1.00 0.00 C ATOM 1420 CD1 LEU A 93 3.779 -21.748 -16.463 1.00 0.00 C ATOM 1421 CD2 LEU A 93 4.461 -22.203 -14.100 1.00 0.00 C ATOM 0 H LEU A 93 -0.050 -23.492 -14.295 1.00 0.00 H new ATOM 0 HA LEU A 93 0.618 -21.402 -16.115 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.004 -21.213 -14.350 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.805 -22.893 -13.893 1.00 0.00 H new ATOM 0 HG LEU A 93 3.534 -23.594 -15.424 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.797 -21.971 -16.782 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.082 -22.031 -17.251 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.687 -20.680 -16.264 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.470 -22.420 -14.451 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.386 -21.147 -13.842 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.245 -22.808 -13.219 1.00 0.00 H new ATOM 1433 N LEU A 94 1.335 -22.562 -18.167 1.00 0.00 N ATOM 1434 CA LEU A 94 1.810 -23.186 -19.398 1.00 0.00 C ATOM 1435 C LEU A 94 2.766 -22.261 -20.144 1.00 0.00 C ATOM 1436 O LEU A 94 2.360 -21.223 -20.665 1.00 0.00 O ATOM 1437 CB LEU A 94 0.627 -23.550 -20.297 1.00 0.00 C ATOM 1438 CG LEU A 94 0.310 -25.041 -20.419 1.00 0.00 C ATOM 1439 CD1 LEU A 94 -0.866 -25.261 -21.357 1.00 0.00 C ATOM 1440 CD2 LEU A 94 1.532 -25.809 -20.902 1.00 0.00 C ATOM 0 H LEU A 94 0.897 -21.650 -18.298 1.00 0.00 H new ATOM 0 HA LEU A 94 2.349 -24.095 -19.131 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.260 -23.040 -19.921 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.821 -23.157 -21.295 1.00 0.00 H new ATOM 0 HG LEU A 94 0.037 -25.417 -19.433 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.077 -26.328 -21.432 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.743 -24.744 -20.968 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.622 -24.870 -22.345 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.288 -26.868 -20.983 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.837 -25.431 -21.878 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.348 -25.678 -20.191 1.00 0.00 H new ATOM 1452 N ASN A 95 4.037 -22.646 -20.193 1.00 0.00 N ATOM 1453 CA ASN A 95 5.050 -21.852 -20.877 1.00 0.00 C ATOM 1454 C ASN A 95 4.932 -20.378 -20.501 1.00 0.00 C ATOM 1455 O ASN A 95 5.029 -19.499 -21.356 1.00 0.00 O ATOM 1456 CB ASN A 95 4.919 -22.015 -22.393 1.00 0.00 C ATOM 1457 CG ASN A 95 4.803 -23.468 -22.810 1.00 0.00 C ATOM 1458 OD1 ASN A 95 3.781 -24.113 -22.575 1.00 0.00 O ATOM 1459 ND2 ASN A 95 5.853 -23.991 -23.431 1.00 0.00 N ATOM 0 H ASN A 95 4.390 -23.503 -19.767 1.00 0.00 H new ATOM 0 HA ASN A 95 6.030 -22.212 -20.563 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.042 -21.469 -22.740 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.786 -21.568 -22.880 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.833 -24.965 -23.734 1.00 0.00 H new ATOM 0 HD22 ASN A 95 6.680 -23.419 -23.605 1.00 0.00 H new ATOM 1466 N GLY A 96 4.722 -20.116 -19.214 1.00 0.00 N ATOM 1467 CA GLY A 96 4.595 -18.748 -18.747 1.00 0.00 C ATOM 1468 C GLY A 96 3.241 -18.148 -19.073 1.00 0.00 C ATOM 1469 O GLY A 96 3.108 -16.930 -19.190 1.00 0.00 O ATOM 0 H GLY A 96 4.638 -20.827 -18.487 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.752 -18.719 -17.669 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.378 -18.139 -19.199 1.00 0.00 H new ATOM 1473 N GLU A 97 2.236 -19.005 -19.221 1.00 0.00 N ATOM 1474 CA GLU A 97 0.887 -18.551 -19.538 1.00 0.00 C ATOM 1475 C GLU A 97 -0.156 -19.399 -18.816 1.00 0.00 C ATOM 1476 O GLU A 97 -0.268 -20.601 -19.055 1.00 0.00 O ATOM 1477 CB GLU A 97 0.648 -18.606 -21.049 1.00 0.00 C ATOM 1478 CG GLU A 97 1.600 -17.732 -21.848 1.00 0.00 C ATOM 1479 CD GLU A 97 1.873 -18.282 -23.234 1.00 0.00 C ATOM 1480 OE1 GLU A 97 1.736 -19.509 -23.422 1.00 0.00 O ATOM 1481 OE2 GLU A 97 2.224 -17.487 -24.130 1.00 0.00 O ATOM 0 H GLU A 97 2.330 -20.016 -19.127 1.00 0.00 H new ATOM 0 HA GLU A 97 0.789 -17.520 -19.199 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.746 -19.638 -21.386 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.377 -18.298 -21.258 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.181 -16.730 -21.935 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.541 -17.638 -21.307 1.00 0.00 H new ATOM 1488 N TRP A 98 -0.917 -18.763 -17.932 1.00 0.00 N ATOM 1489 CA TRP A 98 -1.951 -19.459 -17.174 1.00 0.00 C ATOM 1490 C TRP A 98 -3.166 -19.748 -18.049 1.00 0.00 C ATOM 1491 O TRP A 98 -4.027 -18.889 -18.236 1.00 0.00 O ATOM 1492 CB TRP A 98 -2.368 -18.628 -15.960 1.00 0.00 C ATOM 1493 CG TRP A 98 -1.206 -18.112 -15.165 1.00 0.00 C ATOM 1494 CD1 TRP A 98 -0.548 -16.930 -15.349 1.00 0.00 C ATOM 1495 CD2 TRP A 98 -0.565 -18.763 -14.064 1.00 0.00 C ATOM 1496 NE1 TRP A 98 0.464 -16.807 -14.428 1.00 0.00 N ATOM 1497 CE2 TRP A 98 0.474 -17.918 -13.627 1.00 0.00 C ATOM 1498 CE3 TRP A 98 -0.768 -19.977 -13.402 1.00 0.00 C ATOM 1499 CZ2 TRP A 98 1.306 -18.250 -12.561 1.00 0.00 C ATOM 1500 CZ3 TRP A 98 0.058 -20.306 -12.344 1.00 0.00 C ATOM 1501 CH2 TRP A 98 1.084 -19.445 -11.932 1.00 0.00 C ATOM 0 H TRP A 98 -0.838 -17.768 -17.723 1.00 0.00 H new ATOM 0 HA TRP A 98 -1.539 -20.408 -16.832 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -2.972 -17.785 -16.296 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -3.001 -19.236 -15.313 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -0.788 -16.199 -16.107 1.00 0.00 H new ATOM 0 HE1 TRP A 98 1.104 -16.016 -14.353 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -1.557 -20.646 -13.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.098 -17.588 -12.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -0.090 -21.242 -11.826 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.712 -19.730 -11.101 1.00 0.00 H new ATOM 1512 N VAL A 99 -3.229 -20.964 -18.583 1.00 0.00 N ATOM 1513 CA VAL A 99 -4.340 -21.366 -19.438 1.00 0.00 C ATOM 1514 C VAL A 99 -5.158 -22.477 -18.789 1.00 0.00 C ATOM 1515 O VAL A 99 -4.607 -23.382 -18.161 1.00 0.00 O ATOM 1516 CB VAL A 99 -3.843 -21.846 -20.814 1.00 0.00 C ATOM 1517 CG1 VAL A 99 -2.724 -20.950 -21.321 1.00 0.00 C ATOM 1518 CG2 VAL A 99 -3.385 -23.295 -20.739 1.00 0.00 C ATOM 0 H VAL A 99 -2.524 -21.687 -18.439 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.970 -20.487 -19.574 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.671 -21.786 -21.521 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.386 -21.305 -22.294 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.091 -19.928 -21.415 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.892 -20.974 -20.617 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.037 -23.618 -21.720 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.572 -23.383 -20.019 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.218 -23.924 -20.424 1.00 0.00 H new ATOM 1528 N SER A 100 -6.476 -22.403 -18.945 1.00 0.00 N ATOM 1529 CA SER A 100 -7.371 -23.401 -18.371 1.00 0.00 C ATOM 1530 C SER A 100 -7.958 -24.294 -19.460 1.00 0.00 C ATOM 1531 O SER A 100 -8.102 -23.877 -20.610 1.00 0.00 O ATOM 1532 CB SER A 100 -8.498 -22.718 -17.593 1.00 0.00 C ATOM 1533 OG SER A 100 -9.400 -23.673 -17.061 1.00 0.00 O ATOM 0 H SER A 100 -6.948 -21.662 -19.464 1.00 0.00 H new ATOM 0 HA SER A 100 -6.792 -24.023 -17.688 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.076 -22.121 -16.784 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.034 -22.032 -18.249 1.00 0.00 H new ATOM 0 HG SER A 100 -9.127 -23.909 -16.150 1.00 0.00 H new ATOM 1539 N LEU A 101 -8.295 -25.524 -19.089 1.00 0.00 N ATOM 1540 CA LEU A 101 -8.867 -26.478 -20.033 1.00 0.00 C ATOM 1541 C LEU A 101 -7.786 -27.065 -20.935 1.00 0.00 C ATOM 1542 O LEU A 101 -7.835 -26.916 -22.157 1.00 0.00 O ATOM 1543 CB LEU A 101 -9.944 -25.801 -20.883 1.00 0.00 C ATOM 1544 CG LEU A 101 -10.972 -26.731 -21.528 1.00 0.00 C ATOM 1545 CD1 LEU A 101 -11.525 -27.709 -20.503 1.00 0.00 C ATOM 1546 CD2 LEU A 101 -12.097 -25.925 -22.161 1.00 0.00 C ATOM 0 H LEU A 101 -8.182 -25.884 -18.141 1.00 0.00 H new ATOM 0 HA LEU A 101 -9.320 -27.289 -19.463 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -10.475 -25.084 -20.257 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.452 -25.233 -21.672 1.00 0.00 H new ATOM 0 HG LEU A 101 -10.475 -27.302 -22.312 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -12.255 -28.363 -20.981 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -10.711 -28.310 -20.097 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -12.006 -27.157 -19.696 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -12.819 -26.603 -22.615 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -12.592 -25.327 -21.395 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -11.687 -25.266 -22.926 1.00 0.00 H new ATOM 1558 N ARG A 102 -6.814 -27.735 -20.326 1.00 0.00 N ATOM 1559 CA ARG A 102 -5.722 -28.347 -21.074 1.00 0.00 C ATOM 1560 C ARG A 102 -5.356 -27.501 -22.291 1.00 0.00 C ATOM 1561 O ARG A 102 -5.802 -27.773 -23.404 1.00 0.00 O ATOM 1562 CB ARG A 102 -6.108 -29.759 -21.518 1.00 0.00 C ATOM 1563 CG ARG A 102 -7.437 -29.824 -22.252 1.00 0.00 C ATOM 1564 CD ARG A 102 -7.893 -31.261 -22.451 1.00 0.00 C ATOM 1565 NE ARG A 102 -7.039 -31.981 -23.392 1.00 0.00 N ATOM 1566 CZ ARG A 102 -7.405 -33.099 -24.010 1.00 0.00 C ATOM 1567 NH1 ARG A 102 -8.604 -33.620 -23.789 1.00 0.00 N ATOM 1568 NH2 ARG A 102 -6.572 -33.696 -24.852 1.00 0.00 N ATOM 0 H ARG A 102 -6.760 -27.868 -19.316 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.853 -28.405 -20.418 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.325 -30.154 -22.166 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.154 -30.406 -20.642 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.192 -29.276 -21.689 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.343 -29.333 -23.221 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.891 -31.778 -21.491 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.920 -31.268 -22.815 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.111 -31.605 -23.585 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -9.248 -33.163 -23.143 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.883 -34.478 -24.265 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.649 -33.297 -25.026 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.854 -34.554 -25.326 1.00 0.00 H new ATOM 1582 N ASN A 103 -4.542 -26.475 -22.068 1.00 0.00 N ATOM 1583 CA ASN A 103 -4.117 -25.589 -23.146 1.00 0.00 C ATOM 1584 C ASN A 103 -5.315 -25.102 -23.954 1.00 0.00 C ATOM 1585 O ASN A 103 -5.219 -24.896 -25.163 1.00 0.00 O ATOM 1586 CB ASN A 103 -3.126 -26.308 -24.064 1.00 0.00 C ATOM 1587 CG ASN A 103 -2.068 -25.373 -24.618 1.00 0.00 C ATOM 1588 OD1 ASN A 103 -1.858 -24.277 -24.097 1.00 0.00 O ATOM 1589 ND2 ASN A 103 -1.395 -25.803 -25.679 1.00 0.00 N ATOM 0 H ASN A 103 -4.163 -26.236 -21.151 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.627 -24.724 -22.700 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.642 -27.113 -23.512 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.668 -26.769 -24.890 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.671 -25.218 -26.095 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -1.602 -26.719 -26.078 1.00 0.00 H new ATOM 1596 N GLY A 104 -6.445 -24.920 -23.277 1.00 0.00 N ATOM 1597 CA GLY A 104 -7.646 -24.458 -23.948 1.00 0.00 C ATOM 1598 C GLY A 104 -7.670 -22.952 -24.123 1.00 0.00 C ATOM 1599 O GLY A 104 -7.373 -22.440 -25.203 1.00 0.00 O ATOM 0 H GLY A 104 -6.550 -25.084 -22.276 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.719 -24.935 -24.925 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -8.520 -24.768 -23.376 1.00 0.00 H new ATOM 1603 N THR A 105 -8.025 -22.240 -23.058 1.00 0.00 N ATOM 1604 CA THR A 105 -8.089 -20.784 -23.100 1.00 0.00 C ATOM 1605 C THR A 105 -7.157 -20.163 -22.066 1.00 0.00 C ATOM 1606 O THR A 105 -6.914 -20.742 -21.007 1.00 0.00 O ATOM 1607 CB THR A 105 -9.523 -20.278 -22.852 1.00 0.00 C ATOM 1608 OG1 THR A 105 -10.264 -21.251 -22.107 1.00 0.00 O ATOM 1609 CG2 THR A 105 -10.231 -19.993 -24.167 1.00 0.00 C ATOM 0 H THR A 105 -8.272 -22.648 -22.156 1.00 0.00 H new ATOM 0 HA THR A 105 -7.772 -20.482 -24.098 1.00 0.00 H new ATOM 0 HB THR A 105 -9.464 -19.351 -22.281 1.00 0.00 H new ATOM 0 HG1 THR A 105 -11.174 -20.921 -21.952 1.00 0.00 H new ATOM 0 HG21 THR A 105 -11.242 -19.637 -23.966 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.681 -19.231 -24.719 1.00 0.00 H new ATOM 0 HG23 THR A 105 -10.279 -20.906 -24.760 1.00 0.00 H new ATOM 1617 N LYS A 106 -6.638 -18.981 -22.378 1.00 0.00 N ATOM 1618 CA LYS A 106 -5.734 -18.279 -21.476 1.00 0.00 C ATOM 1619 C LYS A 106 -6.513 -17.413 -20.490 1.00 0.00 C ATOM 1620 O LYS A 106 -7.677 -17.085 -20.721 1.00 0.00 O ATOM 1621 CB LYS A 106 -4.758 -17.410 -22.272 1.00 0.00 C ATOM 1622 CG LYS A 106 -3.429 -18.090 -22.554 1.00 0.00 C ATOM 1623 CD LYS A 106 -2.764 -17.522 -23.797 1.00 0.00 C ATOM 1624 CE LYS A 106 -2.501 -18.605 -24.832 1.00 0.00 C ATOM 1625 NZ LYS A 106 -1.179 -19.260 -24.626 1.00 0.00 N ATOM 0 H LYS A 106 -6.829 -18.488 -23.251 1.00 0.00 H new ATOM 0 HA LYS A 106 -5.172 -19.024 -20.914 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.222 -17.131 -23.218 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -4.575 -16.487 -21.722 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.767 -17.966 -21.697 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.587 -19.161 -22.682 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -3.399 -16.750 -24.230 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -1.824 -17.044 -23.522 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -3.290 -19.355 -24.781 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.539 -18.170 -25.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.037 -19.992 -25.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.424 -18.549 -24.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.151 -19.697 -23.683 1.00 0.00 H new ATOM 1639 N LEU A 107 -5.863 -17.046 -19.391 1.00 0.00 N ATOM 1640 CA LEU A 107 -6.494 -16.217 -18.370 1.00 0.00 C ATOM 1641 C LEU A 107 -6.532 -14.755 -18.803 1.00 0.00 C ATOM 1642 O LEU A 107 -7.571 -14.248 -19.228 1.00 0.00 O ATOM 1643 CB LEU A 107 -5.745 -16.349 -17.043 1.00 0.00 C ATOM 1644 CG LEU A 107 -6.027 -15.264 -16.002 1.00 0.00 C ATOM 1645 CD1 LEU A 107 -7.522 -15.140 -15.752 1.00 0.00 C ATOM 1646 CD2 LEU A 107 -5.291 -15.565 -14.705 1.00 0.00 C ATOM 0 H LEU A 107 -4.900 -17.309 -19.184 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.519 -16.564 -18.237 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.990 -17.317 -16.605 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.675 -16.355 -17.252 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.664 -14.312 -16.390 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.703 -14.364 -15.009 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.026 -14.877 -16.682 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.910 -16.091 -15.386 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.503 -14.783 -13.976 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.623 -16.526 -14.313 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.218 -15.602 -14.895 1.00 0.00 H new ATOM 1658 N THR A 108 -5.391 -14.081 -18.694 1.00 0.00 N ATOM 1659 CA THR A 108 -5.293 -12.678 -19.075 1.00 0.00 C ATOM 1660 C THR A 108 -5.936 -12.431 -20.435 1.00 0.00 C ATOM 1661 O THR A 108 -6.286 -11.299 -20.771 1.00 0.00 O ATOM 1662 CB THR A 108 -3.827 -12.209 -19.121 1.00 0.00 C ATOM 1663 OG1 THR A 108 -3.771 -10.793 -19.325 1.00 0.00 O ATOM 1664 CG2 THR A 108 -3.066 -12.918 -20.232 1.00 0.00 C ATOM 0 H THR A 108 -4.522 -14.485 -18.345 1.00 0.00 H new ATOM 0 HA THR A 108 -5.826 -12.107 -18.315 1.00 0.00 H new ATOM 0 HB THR A 108 -3.360 -12.456 -18.168 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.835 -10.503 -19.351 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.033 -12.570 -20.245 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.085 -13.994 -20.057 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.535 -12.699 -21.191 1.00 0.00 H new ATOM 1672 N ASP A 109 -6.089 -13.496 -21.214 1.00 0.00 N ATOM 1673 CA ASP A 109 -6.692 -13.395 -22.538 1.00 0.00 C ATOM 1674 C ASP A 109 -8.210 -13.278 -22.436 1.00 0.00 C ATOM 1675 O ASP A 109 -8.821 -12.427 -23.083 1.00 0.00 O ATOM 1676 CB ASP A 109 -6.318 -14.612 -23.386 1.00 0.00 C ATOM 1677 CG ASP A 109 -5.708 -14.223 -24.719 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -5.097 -13.136 -24.797 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -5.842 -15.004 -25.684 1.00 0.00 O ATOM 0 H ASP A 109 -5.804 -14.439 -20.952 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.307 -12.495 -23.018 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.612 -15.233 -22.834 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -7.207 -15.218 -23.560 1.00 0.00 H new ATOM 1684 N ILE A 110 -8.811 -14.138 -21.622 1.00 0.00 N ATOM 1685 CA ILE A 110 -10.257 -14.131 -21.436 1.00 0.00 C ATOM 1686 C ILE A 110 -10.692 -12.963 -20.557 1.00 0.00 C ATOM 1687 O ILE A 110 -11.788 -12.424 -20.719 1.00 0.00 O ATOM 1688 CB ILE A 110 -10.750 -15.446 -20.805 1.00 0.00 C ATOM 1689 CG1 ILE A 110 -11.212 -16.418 -21.893 1.00 0.00 C ATOM 1690 CG2 ILE A 110 -11.877 -15.171 -19.820 1.00 0.00 C ATOM 1691 CD1 ILE A 110 -12.216 -17.438 -21.405 1.00 0.00 C ATOM 0 H ILE A 110 -8.319 -14.849 -21.080 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.702 -14.024 -22.425 1.00 0.00 H new ATOM 0 HB ILE A 110 -9.923 -15.904 -20.263 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -11.652 -15.850 -22.713 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -10.344 -16.939 -22.296 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.215 -16.110 -19.382 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -11.517 -14.511 -19.030 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -12.707 -14.694 -20.341 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -12.499 -18.093 -22.229 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -11.773 -18.031 -20.605 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -13.101 -16.926 -21.029 1.00 0.00 H new ATOM 1703 N LEU A 111 -9.826 -12.575 -19.627 1.00 0.00 N ATOM 1704 CA LEU A 111 -10.120 -11.469 -18.723 1.00 0.00 C ATOM 1705 C LEU A 111 -9.972 -10.129 -19.436 1.00 0.00 C ATOM 1706 O LEU A 111 -10.758 -9.206 -19.216 1.00 0.00 O ATOM 1707 CB LEU A 111 -9.192 -11.518 -17.508 1.00 0.00 C ATOM 1708 CG LEU A 111 -9.854 -11.295 -16.148 1.00 0.00 C ATOM 1709 CD1 LEU A 111 -10.443 -9.895 -16.064 1.00 0.00 C ATOM 1710 CD2 LEU A 111 -10.928 -12.343 -15.899 1.00 0.00 C ATOM 0 H LEU A 111 -8.915 -13.010 -19.479 1.00 0.00 H new ATOM 0 HA LEU A 111 -11.153 -11.570 -18.389 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.696 -12.489 -17.494 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.415 -10.765 -17.639 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.092 -11.394 -15.374 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.910 -9.755 -15.089 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.651 -9.158 -16.196 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -11.191 -9.768 -16.846 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -11.388 -12.168 -14.926 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.688 -12.277 -16.677 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.478 -13.336 -15.915 1.00 0.00 H new ATOM 1722 N THR A 112 -8.961 -10.028 -20.293 1.00 0.00 N ATOM 1723 CA THR A 112 -8.711 -8.802 -21.039 1.00 0.00 C ATOM 1724 C THR A 112 -9.749 -8.606 -22.138 1.00 0.00 C ATOM 1725 O THR A 112 -10.229 -7.495 -22.360 1.00 0.00 O ATOM 1726 CB THR A 112 -7.306 -8.805 -21.671 1.00 0.00 C ATOM 1727 OG1 THR A 112 -6.961 -7.485 -22.104 1.00 0.00 O ATOM 1728 CG2 THR A 112 -7.245 -9.764 -22.850 1.00 0.00 C ATOM 0 H THR A 112 -8.302 -10.782 -20.487 1.00 0.00 H new ATOM 0 HA THR A 112 -8.779 -7.980 -20.327 1.00 0.00 H new ATOM 0 HB THR A 112 -6.593 -9.137 -20.916 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.066 -7.495 -22.503 1.00 0.00 H new ATOM 0 HG21 THR A 112 -6.243 -9.749 -23.280 1.00 0.00 H new ATOM 0 HG22 THR A 112 -7.479 -10.773 -22.511 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.969 -9.458 -23.606 1.00 0.00 H new ATOM 1736 N GLU A 113 -10.092 -9.692 -22.823 1.00 0.00 N ATOM 1737 CA GLU A 113 -11.074 -9.638 -23.900 1.00 0.00 C ATOM 1738 C GLU A 113 -12.486 -9.492 -23.341 1.00 0.00 C ATOM 1739 O GLU A 113 -13.319 -8.786 -23.908 1.00 0.00 O ATOM 1740 CB GLU A 113 -10.984 -10.896 -24.766 1.00 0.00 C ATOM 1741 CG GLU A 113 -11.793 -10.810 -26.050 1.00 0.00 C ATOM 1742 CD GLU A 113 -12.636 -12.047 -26.292 1.00 0.00 C ATOM 1743 OE1 GLU A 113 -13.124 -12.635 -25.305 1.00 0.00 O ATOM 1744 OE2 GLU A 113 -12.807 -12.426 -27.470 1.00 0.00 O ATOM 0 H GLU A 113 -9.705 -10.620 -22.652 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.853 -8.766 -24.515 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.939 -11.081 -25.016 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.329 -11.752 -24.186 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.442 -9.935 -26.008 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.116 -10.665 -26.892 1.00 0.00 H new ATOM 1751 N GLU A 114 -12.747 -10.166 -22.225 1.00 0.00 N ATOM 1752 CA GLU A 114 -14.059 -10.112 -21.590 1.00 0.00 C ATOM 1753 C GLU A 114 -14.339 -8.718 -21.038 1.00 0.00 C ATOM 1754 O GLU A 114 -15.385 -8.128 -21.311 1.00 0.00 O ATOM 1755 CB GLU A 114 -14.149 -11.146 -20.466 1.00 0.00 C ATOM 1756 CG GLU A 114 -15.500 -11.175 -19.772 1.00 0.00 C ATOM 1757 CD GLU A 114 -15.574 -12.226 -18.682 1.00 0.00 C ATOM 1758 OE1 GLU A 114 -14.505 -12.646 -18.190 1.00 0.00 O ATOM 1759 OE2 GLU A 114 -16.699 -12.629 -18.320 1.00 0.00 O ATOM 0 H GLU A 114 -12.068 -10.755 -21.743 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.810 -10.342 -22.346 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.939 -12.134 -20.875 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.375 -10.936 -19.728 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -15.704 -10.195 -19.341 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.279 -11.367 -20.510 1.00 0.00 H new ATOM 1766 N VAL A 115 -13.398 -8.196 -20.258 1.00 0.00 N ATOM 1767 CA VAL A 115 -13.542 -6.871 -19.667 1.00 0.00 C ATOM 1768 C VAL A 115 -13.523 -5.786 -20.738 1.00 0.00 C ATOM 1769 O VAL A 115 -14.160 -4.744 -20.590 1.00 0.00 O ATOM 1770 CB VAL A 115 -12.425 -6.588 -18.645 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -12.575 -5.191 -18.063 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -12.432 -7.637 -17.543 1.00 0.00 C ATOM 0 H VAL A 115 -12.527 -8.671 -20.021 1.00 0.00 H new ATOM 0 HA VAL A 115 -14.505 -6.856 -19.156 1.00 0.00 H new ATOM 0 HB VAL A 115 -11.465 -6.641 -19.159 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -11.777 -5.009 -17.343 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -12.515 -4.455 -18.864 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -13.540 -5.107 -17.564 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -11.636 -7.421 -16.830 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.394 -7.619 -17.030 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -12.271 -8.623 -17.978 1.00 0.00 H new ATOM 1782 N GLU A 116 -12.788 -6.040 -21.816 1.00 0.00 N ATOM 1783 CA GLU A 116 -12.686 -5.084 -22.912 1.00 0.00 C ATOM 1784 C GLU A 116 -14.024 -4.936 -23.632 1.00 0.00 C ATOM 1785 O GLU A 116 -14.506 -3.824 -23.848 1.00 0.00 O ATOM 1786 CB GLU A 116 -11.607 -5.524 -23.904 1.00 0.00 C ATOM 1787 CG GLU A 116 -11.427 -4.568 -25.071 1.00 0.00 C ATOM 1788 CD GLU A 116 -9.971 -4.365 -25.440 1.00 0.00 C ATOM 1789 OE1 GLU A 116 -9.137 -5.210 -25.050 1.00 0.00 O ATOM 1790 OE2 GLU A 116 -9.664 -3.362 -26.118 1.00 0.00 O ATOM 0 H GLU A 116 -12.255 -6.899 -21.954 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.410 -4.117 -22.491 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.658 -5.622 -23.376 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.861 -6.511 -24.290 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.967 -4.952 -25.937 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.872 -3.605 -24.819 1.00 0.00 H new ATOM 1797 N LYS A 117 -14.618 -6.066 -24.000 1.00 0.00 N ATOM 1798 CA LYS A 117 -15.900 -6.065 -24.695 1.00 0.00 C ATOM 1799 C LYS A 117 -17.049 -5.839 -23.717 1.00 0.00 C ATOM 1800 O LYS A 117 -18.180 -5.578 -24.124 1.00 0.00 O ATOM 1801 CB LYS A 117 -16.102 -7.388 -25.437 1.00 0.00 C ATOM 1802 CG LYS A 117 -15.041 -7.664 -26.488 1.00 0.00 C ATOM 1803 CD LYS A 117 -14.842 -9.155 -26.702 1.00 0.00 C ATOM 1804 CE LYS A 117 -16.021 -9.774 -27.438 1.00 0.00 C ATOM 1805 NZ LYS A 117 -15.994 -9.458 -28.893 1.00 0.00 N ATOM 0 H LYS A 117 -14.232 -6.994 -23.829 1.00 0.00 H new ATOM 0 HA LYS A 117 -15.893 -5.248 -25.416 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -16.106 -8.204 -24.714 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -17.082 -7.381 -25.915 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -15.330 -7.196 -27.429 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -14.098 -7.210 -26.182 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -13.928 -9.323 -27.271 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -14.713 -9.648 -25.738 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -16.008 -10.855 -27.301 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -16.952 -9.409 -27.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -16.764 -9.966 -29.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -16.118 -8.434 -29.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -15.081 -9.753 -29.295 1.00 0.00 H new ATOM 1819 N ALA A 118 -16.749 -5.938 -22.426 1.00 0.00 N ATOM 1820 CA ALA A 118 -17.756 -5.741 -21.390 1.00 0.00 C ATOM 1821 C ALA A 118 -17.798 -4.285 -20.936 1.00 0.00 C ATOM 1822 O ALA A 118 -18.850 -3.777 -20.548 1.00 0.00 O ATOM 1823 CB ALA A 118 -17.483 -6.657 -20.207 1.00 0.00 C ATOM 0 H ALA A 118 -15.817 -6.153 -22.073 1.00 0.00 H new ATOM 0 HA ALA A 118 -18.729 -5.992 -21.812 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -18.243 -6.499 -19.441 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -17.511 -7.695 -20.537 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -16.499 -6.434 -19.794 1.00 0.00 H new ATOM 1829 N ILE A 119 -16.649 -3.621 -20.988 1.00 0.00 N ATOM 1830 CA ILE A 119 -16.556 -2.224 -20.582 1.00 0.00 C ATOM 1831 C ILE A 119 -16.729 -1.292 -21.776 1.00 0.00 C ATOM 1832 O ILE A 119 -17.244 -0.182 -21.640 1.00 0.00 O ATOM 1833 CB ILE A 119 -15.207 -1.924 -19.902 1.00 0.00 C ATOM 1834 CG1 ILE A 119 -15.206 -2.450 -18.465 1.00 0.00 C ATOM 1835 CG2 ILE A 119 -14.923 -0.429 -19.925 1.00 0.00 C ATOM 1836 CD1 ILE A 119 -13.827 -2.519 -17.848 1.00 0.00 C ATOM 0 H ILE A 119 -15.770 -4.027 -21.307 1.00 0.00 H new ATOM 0 HA ILE A 119 -17.361 -2.049 -19.868 1.00 0.00 H new ATOM 0 HB ILE A 119 -14.418 -2.433 -20.455 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -15.838 -1.808 -17.851 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -15.652 -3.444 -18.450 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.966 -0.233 -19.441 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.885 -0.082 -20.957 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -15.714 0.100 -19.393 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -13.903 -2.900 -16.830 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.197 -3.184 -18.439 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.386 -1.522 -17.830 1.00 0.00 H new ATOM 1848 N SER A 120 -16.298 -1.751 -22.946 1.00 0.00 N ATOM 1849 CA SER A 120 -16.403 -0.958 -24.165 1.00 0.00 C ATOM 1850 C SER A 120 -17.761 -1.161 -24.830 1.00 0.00 C ATOM 1851 O SER A 120 -18.240 -0.299 -25.567 1.00 0.00 O ATOM 1852 CB SER A 120 -15.285 -1.331 -25.140 1.00 0.00 C ATOM 1853 OG SER A 120 -14.012 -1.033 -24.594 1.00 0.00 O ATOM 0 H SER A 120 -15.872 -2.669 -23.076 1.00 0.00 H new ATOM 0 HA SER A 120 -16.303 0.093 -23.894 1.00 0.00 H new ATOM 0 HB2 SER A 120 -15.343 -2.394 -25.376 1.00 0.00 H new ATOM 0 HB3 SER A 120 -15.419 -0.789 -26.076 1.00 0.00 H new ATOM 0 HG SER A 120 -13.669 -1.817 -24.116 1.00 0.00 H new ATOM 1859 N LYS A 121 -18.378 -2.307 -24.563 1.00 0.00 N ATOM 1860 CA LYS A 121 -19.682 -2.626 -25.132 1.00 0.00 C ATOM 1861 C LYS A 121 -20.618 -1.424 -25.056 1.00 0.00 C ATOM 1862 O LYS A 121 -21.581 -1.326 -25.815 1.00 0.00 O ATOM 1863 CB LYS A 121 -20.303 -3.818 -24.400 1.00 0.00 C ATOM 1864 CG LYS A 121 -20.455 -5.054 -25.270 1.00 0.00 C ATOM 1865 CD LYS A 121 -20.734 -6.292 -24.435 1.00 0.00 C ATOM 1866 CE LYS A 121 -20.069 -7.525 -25.027 1.00 0.00 C ATOM 1867 NZ LYS A 121 -20.827 -8.059 -26.191 1.00 0.00 N ATOM 0 H LYS A 121 -17.995 -3.031 -23.955 1.00 0.00 H new ATOM 0 HA LYS A 121 -19.539 -2.886 -26.181 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -19.685 -4.065 -23.537 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -21.283 -3.529 -24.019 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -21.268 -4.902 -25.980 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -19.546 -5.204 -25.853 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -20.373 -6.135 -23.418 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -21.810 -6.453 -24.370 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -19.054 -7.276 -25.338 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -19.988 -8.297 -24.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -20.341 -8.899 -26.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -21.787 -8.320 -25.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -20.883 -7.332 -26.932 1.00 0.00 H new ATOM 1881 N SER A 122 -20.327 -0.511 -24.134 1.00 0.00 N ATOM 1882 CA SER A 122 -21.144 0.683 -23.957 1.00 0.00 C ATOM 1883 C SER A 122 -20.635 1.825 -24.832 1.00 0.00 C ATOM 1884 O SER A 122 -21.420 2.554 -25.437 1.00 0.00 O ATOM 1885 CB SER A 122 -21.146 1.112 -22.489 1.00 0.00 C ATOM 1886 OG SER A 122 -22.454 1.441 -22.055 1.00 0.00 O ATOM 0 H SER A 122 -19.532 -0.576 -23.499 1.00 0.00 H new ATOM 0 HA SER A 122 -22.163 0.444 -24.260 1.00 0.00 H new ATOM 0 HB2 SER A 122 -20.746 0.308 -21.871 1.00 0.00 H new ATOM 0 HB3 SER A 122 -20.489 1.972 -22.357 1.00 0.00 H new ATOM 0 HG SER A 122 -22.428 1.710 -21.113 1.00 0.00 H new ATOM 1892 N GLN A 123 -19.315 1.972 -24.892 1.00 0.00 N ATOM 1893 CA GLN A 123 -18.700 3.025 -25.691 1.00 0.00 C ATOM 1894 C GLN A 123 -19.187 2.966 -27.136 1.00 0.00 C ATOM 1895 O GLN A 123 -19.694 3.952 -27.672 1.00 0.00 O ATOM 1896 CB GLN A 123 -17.176 2.903 -25.649 1.00 0.00 C ATOM 1897 CG GLN A 123 -16.454 4.043 -26.348 1.00 0.00 C ATOM 1898 CD GLN A 123 -16.199 3.760 -27.816 1.00 0.00 C ATOM 1899 OE1 GLN A 123 -16.413 2.644 -28.291 1.00 0.00 O ATOM 1900 NE2 GLN A 123 -15.741 4.772 -28.543 1.00 0.00 N ATOM 0 H GLN A 123 -18.652 1.376 -24.397 1.00 0.00 H new ATOM 0 HA GLN A 123 -18.992 3.986 -25.267 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -16.852 2.862 -24.609 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -16.883 1.961 -26.111 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -17.045 4.954 -26.255 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -15.504 4.227 -25.847 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -15.578 5.680 -28.108 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -15.552 4.642 -29.537 1.00 0.00 H new