USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 759 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 50 THR OG1 : rot 44:sc= 0.0767 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.26 USER MOD Set 2.1: A 47 ASN : amide:sc= 0.383 X(o=-0.53,f=-0.36) USER MOD Set 2.2: A 49 GLN : amide:sc= -0.912 X(o=-0.53,f=-0.36) USER MOD Set 3.1: A 37 SER OG : rot 180:sc= -0.373 USER MOD Set 3.2: A 75 GLN : amide:sc= -0.216 K(o=-0.59,f=-4.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 174:sc= 0.0641 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00176 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 127:sc= 1.21 USER MOD Single : A 56 SER OG : rot 160:sc= -0.861 USER MOD Single : A 61 ASN : amide:sc=-0.00988 K(o=-0.0099,f=-1) USER MOD Single : A 67 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.21) USER MOD Single : A 68 THR OG1 : rot -23:sc= 0.769 USER MOD Single : A 70 GLN : amide:sc= -2.65! C(o=-2.7!,f=-2.6!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 165:sc= -6.86! (180deg=-7.12!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 155:sc= 0.38 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -2.27! C(o=-2.3!,f=-4.4!) USER MOD Single : A 102 SER OG : rot 27:sc= 0.092 USER MOD Single : A 103 SER OG : rot -85:sc= 0.539 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ -136:sc= 0.0377 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -173:sc= 1.3 USER MOD Single : A 111 GLN : amide:sc= 0.359 K(o=0.36,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 16 -3.293 22.095 3.457 1.00 0.00 N ATOM 179 CA VAL A 16 -4.203 21.953 2.327 1.00 0.00 C ATOM 180 C VAL A 16 -4.077 20.574 1.689 1.00 0.00 C ATOM 181 O VAL A 16 -4.439 20.380 0.528 1.00 0.00 O ATOM 182 CB VAL A 16 -3.940 23.029 1.256 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.172 24.419 1.827 1.00 0.00 C ATOM 184 CG2 VAL A 16 -2.528 22.898 0.706 1.00 0.00 C ATOM 0 HA VAL A 16 -5.213 22.078 2.717 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.641 22.879 0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.981 25.166 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.204 24.505 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.497 24.585 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.359 23.666 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.809 23.021 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.403 21.913 0.257 1.00 0.00 H new ATOM 194 N LEU A 17 -3.560 19.620 2.454 1.00 0.00 N ATOM 195 CA LEU A 17 -3.386 18.257 1.964 1.00 0.00 C ATOM 196 C LEU A 17 -4.583 17.387 2.334 1.00 0.00 C ATOM 197 O LEU A 17 -5.261 17.616 3.337 1.00 0.00 O ATOM 198 CB LEU A 17 -2.103 17.649 2.536 1.00 0.00 C ATOM 199 CG LEU A 17 -0.793 18.273 2.056 1.00 0.00 C ATOM 200 CD1 LEU A 17 -0.765 18.355 0.537 1.00 0.00 C ATOM 201 CD2 LEU A 17 -0.602 19.652 2.669 1.00 0.00 C ATOM 0 H LEU A 17 -3.254 19.765 3.416 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.311 18.295 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.142 17.725 3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.087 16.587 2.291 1.00 0.00 H new ATOM 0 HG LEU A 17 0.030 17.636 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.175 18.802 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.854 17.353 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.596 18.969 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.336 20.080 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.429 20.298 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.575 19.567 3.755 1.00 0.00 H new ATOM 213 N PRO A 18 -4.850 16.365 1.509 1.00 0.00 N ATOM 214 CA PRO A 18 -5.964 15.439 1.730 1.00 0.00 C ATOM 215 C PRO A 18 -5.735 14.534 2.936 1.00 0.00 C ATOM 216 O PRO A 18 -4.709 13.860 3.032 1.00 0.00 O ATOM 217 CB PRO A 18 -6.001 14.613 0.442 1.00 0.00 C ATOM 218 CG PRO A 18 -4.611 14.679 -0.090 1.00 0.00 C ATOM 219 CD PRO A 18 -4.084 16.033 0.296 1.00 0.00 C ATOM 0 HA PRO A 18 -6.895 15.965 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.301 13.584 0.640 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.717 15.022 -0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.994 13.885 0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.601 14.550 -1.172 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.012 16.006 0.493 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.245 16.767 -0.494 1.00 0.00 H new ATOM 227 N SER A 19 -6.697 14.523 3.853 1.00 0.00 N ATOM 228 CA SER A 19 -6.598 13.702 5.055 1.00 0.00 C ATOM 229 C SER A 19 -6.392 12.234 4.695 1.00 0.00 C ATOM 230 O SER A 19 -6.787 11.786 3.619 1.00 0.00 O ATOM 231 CB SER A 19 -7.858 13.857 5.909 1.00 0.00 C ATOM 232 OG SER A 19 -7.645 13.376 7.224 1.00 0.00 O ATOM 0 H SER A 19 -7.554 15.073 3.787 1.00 0.00 H new ATOM 0 HA SER A 19 -5.735 14.042 5.627 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.150 14.907 5.945 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.682 13.313 5.448 1.00 0.00 H new ATOM 0 HG SER A 19 -8.464 13.488 7.750 1.00 0.00 H new ATOM 238 N ALA A 20 -5.769 11.491 5.604 1.00 0.00 N ATOM 239 CA ALA A 20 -5.511 10.073 5.384 1.00 0.00 C ATOM 240 C ALA A 20 -6.813 9.280 5.327 1.00 0.00 C ATOM 241 O ALA A 20 -7.795 9.605 5.995 1.00 0.00 O ATOM 242 CB ALA A 20 -4.606 9.526 6.478 1.00 0.00 C ATOM 0 H ALA A 20 -5.434 11.847 6.499 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.008 9.965 4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.421 8.466 6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.659 10.065 6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.088 9.654 7.447 1.00 0.00 H new ATOM 248 N PRO A 21 -6.823 8.216 4.510 1.00 0.00 N ATOM 249 CA PRO A 21 -7.999 7.356 4.347 1.00 0.00 C ATOM 250 C PRO A 21 -8.287 6.525 5.593 1.00 0.00 C ATOM 251 O PRO A 21 -7.422 6.356 6.451 1.00 0.00 O ATOM 252 CB PRO A 21 -7.613 6.448 3.176 1.00 0.00 C ATOM 253 CG PRO A 21 -6.124 6.418 3.195 1.00 0.00 C ATOM 254 CD PRO A 21 -5.688 7.771 3.685 1.00 0.00 C ATOM 0 HA PRO A 21 -8.907 7.934 4.176 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.031 5.448 3.296 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.989 6.839 2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.758 5.629 3.852 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.725 6.216 2.201 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.768 7.711 4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.499 8.456 2.859 1.00 0.00 H new ATOM 262 N ARG A 22 -9.509 6.009 5.684 1.00 0.00 N ATOM 263 CA ARG A 22 -9.911 5.197 6.826 1.00 0.00 C ATOM 264 C ARG A 22 -9.016 3.969 6.962 1.00 0.00 C ATOM 265 O ARG A 22 -8.115 3.752 6.151 1.00 0.00 O ATOM 266 CB ARG A 22 -11.371 4.763 6.681 1.00 0.00 C ATOM 267 CG ARG A 22 -11.572 3.618 5.702 1.00 0.00 C ATOM 268 CD ARG A 22 -12.922 2.946 5.902 1.00 0.00 C ATOM 269 NE ARG A 22 -13.427 2.355 4.665 1.00 0.00 N ATOM 270 CZ ARG A 22 -14.614 1.768 4.562 1.00 0.00 C ATOM 271 NH1 ARG A 22 -15.414 1.694 5.617 1.00 0.00 N ATOM 272 NH2 ARG A 22 -15.003 1.254 3.403 1.00 0.00 N ATOM 0 H ARG A 22 -10.237 6.139 4.981 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.806 5.803 7.726 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.751 4.465 7.658 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.964 5.617 6.355 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.499 3.993 4.681 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.776 2.884 5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.832 2.172 6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.640 3.677 6.274 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.836 2.395 3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.118 2.088 6.510 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.325 1.243 5.535 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.390 1.309 2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.915 0.803 3.325 1.00 0.00 H new ATOM 286 N ASP A 23 -9.270 3.169 7.992 1.00 0.00 N ATOM 287 CA ASP A 23 -8.487 1.962 8.234 1.00 0.00 C ATOM 288 C ASP A 23 -8.542 1.028 7.029 1.00 0.00 C ATOM 289 O ASP A 23 -9.480 0.245 6.879 1.00 0.00 O ATOM 290 CB ASP A 23 -9.000 1.238 9.480 1.00 0.00 C ATOM 291 CG ASP A 23 -8.228 -0.034 9.769 1.00 0.00 C ATOM 292 OD1 ASP A 23 -7.784 -0.690 8.803 1.00 0.00 O ATOM 293 OD2 ASP A 23 -8.067 -0.374 10.960 1.00 0.00 O ATOM 0 H ASP A 23 -10.012 3.334 8.673 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.450 2.257 8.395 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.930 1.905 10.339 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.055 0.997 9.348 1.00 0.00 H new ATOM 298 N VAL A 24 -7.531 1.117 6.171 1.00 0.00 N ATOM 299 CA VAL A 24 -7.463 0.281 4.979 1.00 0.00 C ATOM 300 C VAL A 24 -7.485 -1.199 5.345 1.00 0.00 C ATOM 301 O VAL A 24 -6.612 -1.685 6.065 1.00 0.00 O ATOM 302 CB VAL A 24 -6.195 0.576 4.157 1.00 0.00 C ATOM 303 CG1 VAL A 24 -6.142 -0.308 2.920 1.00 0.00 C ATOM 304 CG2 VAL A 24 -6.141 2.047 3.772 1.00 0.00 C ATOM 0 H VAL A 24 -6.747 1.760 6.280 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.340 0.517 4.376 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.324 0.351 4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.239 -0.085 2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.132 -1.355 3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.017 -0.118 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.239 2.238 3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.017 2.299 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.129 2.659 4.674 1.00 0.00 H new ATOM 314 N VAL A 25 -8.488 -1.913 4.843 1.00 0.00 N ATOM 315 CA VAL A 25 -8.623 -3.339 5.115 1.00 0.00 C ATOM 316 C VAL A 25 -8.541 -4.154 3.829 1.00 0.00 C ATOM 317 O VAL A 25 -9.060 -3.763 2.783 1.00 0.00 O ATOM 318 CB VAL A 25 -9.954 -3.651 5.824 1.00 0.00 C ATOM 319 CG1 VAL A 25 -9.910 -3.185 7.271 1.00 0.00 C ATOM 320 CG2 VAL A 25 -11.116 -3.008 5.083 1.00 0.00 C ATOM 0 H VAL A 25 -9.219 -1.527 4.246 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.797 -3.616 5.770 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.104 -4.731 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.859 -3.414 7.756 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.102 -3.697 7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.737 -2.109 7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.048 -3.239 5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.976 -1.927 5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.158 -3.396 4.065 1.00 0.00 H new ATOM 330 N PRO A 26 -7.875 -5.316 3.906 1.00 0.00 N ATOM 331 CA PRO A 26 -7.711 -6.211 2.757 1.00 0.00 C ATOM 332 C PRO A 26 -9.021 -6.876 2.348 1.00 0.00 C ATOM 333 O PRO A 26 -9.295 -8.015 2.728 1.00 0.00 O ATOM 334 CB PRO A 26 -6.715 -7.258 3.263 1.00 0.00 C ATOM 335 CG PRO A 26 -6.885 -7.258 4.743 1.00 0.00 C ATOM 336 CD PRO A 26 -7.232 -5.844 5.120 1.00 0.00 C ATOM 0 HA PRO A 26 -7.375 -5.676 1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.925 -8.241 2.840 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.694 -7.001 2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.674 -7.947 5.045 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.971 -7.581 5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.904 -5.810 5.978 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.345 -5.270 5.387 1.00 0.00 H new ATOM 344 N VAL A 27 -9.827 -6.159 1.572 1.00 0.00 N ATOM 345 CA VAL A 27 -11.108 -6.680 1.111 1.00 0.00 C ATOM 346 C VAL A 27 -10.940 -8.044 0.450 1.00 0.00 C ATOM 347 O VAL A 27 -11.744 -8.953 0.664 1.00 0.00 O ATOM 348 CB VAL A 27 -11.779 -5.718 0.113 1.00 0.00 C ATOM 349 CG1 VAL A 27 -12.203 -4.435 0.811 1.00 0.00 C ATOM 350 CG2 VAL A 27 -10.844 -5.418 -1.049 1.00 0.00 C ATOM 0 H VAL A 27 -9.615 -5.215 1.249 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.744 -6.781 1.991 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.672 -6.200 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.675 -3.768 0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.911 -4.670 1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.327 -3.947 1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.335 -4.737 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.931 -4.956 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.595 -6.346 -1.565 1.00 0.00 H new ATOM 360 N LEU A 28 -9.891 -8.181 -0.353 1.00 0.00 N ATOM 361 CA LEU A 28 -9.616 -9.435 -1.045 1.00 0.00 C ATOM 362 C LEU A 28 -8.115 -9.695 -1.126 1.00 0.00 C ATOM 363 O LEU A 28 -7.372 -8.920 -1.729 1.00 0.00 O ATOM 364 CB LEU A 28 -10.217 -9.406 -2.452 1.00 0.00 C ATOM 365 CG LEU A 28 -10.468 -10.767 -3.103 1.00 0.00 C ATOM 366 CD1 LEU A 28 -9.156 -11.505 -3.319 1.00 0.00 C ATOM 367 CD2 LEU A 28 -11.416 -11.599 -2.251 1.00 0.00 C ATOM 0 H LEU A 28 -9.217 -7.439 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.076 -10.244 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.163 -8.866 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.551 -8.834 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.934 -10.603 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.354 -12.471 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.510 -10.916 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.662 -11.658 -2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.583 -12.564 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.978 -11.754 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.367 -11.076 -2.148 1.00 0.00 H new ATOM 379 N VAL A 29 -7.676 -10.792 -0.517 1.00 0.00 N ATOM 380 CA VAL A 29 -6.264 -11.156 -0.523 1.00 0.00 C ATOM 381 C VAL A 29 -6.037 -12.464 -1.273 1.00 0.00 C ATOM 382 O VAL A 29 -6.428 -13.534 -0.808 1.00 0.00 O ATOM 383 CB VAL A 29 -5.715 -11.297 0.909 1.00 0.00 C ATOM 384 CG1 VAL A 29 -6.502 -12.344 1.682 1.00 0.00 C ATOM 385 CG2 VAL A 29 -4.234 -11.645 0.880 1.00 0.00 C ATOM 0 H VAL A 29 -8.278 -11.444 -0.013 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.732 -10.352 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.830 -10.341 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.100 -12.430 2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.550 -12.047 1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.421 -13.306 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.863 -11.741 1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.092 -12.588 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.685 -10.856 0.367 1.00 0.00 H new ATOM 395 N SER A 30 -5.402 -12.369 -2.437 1.00 0.00 N ATOM 396 CA SER A 30 -5.126 -13.544 -3.255 1.00 0.00 C ATOM 397 C SER A 30 -3.727 -14.084 -2.974 1.00 0.00 C ATOM 398 O SER A 30 -3.009 -13.565 -2.120 1.00 0.00 O ATOM 399 CB SER A 30 -5.264 -13.203 -4.740 1.00 0.00 C ATOM 400 OG SER A 30 -5.474 -14.371 -5.514 1.00 0.00 O ATOM 0 H SER A 30 -5.069 -11.491 -2.835 1.00 0.00 H new ATOM 0 HA SER A 30 -5.853 -14.314 -2.998 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.097 -12.514 -4.882 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.365 -12.692 -5.084 1.00 0.00 H new ATOM 0 HG SER A 30 -5.658 -14.119 -6.443 1.00 0.00 H new ATOM 406 N SER A 31 -3.346 -15.130 -3.701 1.00 0.00 N ATOM 407 CA SER A 31 -2.035 -15.744 -3.528 1.00 0.00 C ATOM 408 C SER A 31 -0.980 -15.014 -4.354 1.00 0.00 C ATOM 409 O SER A 31 0.192 -14.964 -3.981 1.00 0.00 O ATOM 410 CB SER A 31 -2.082 -17.219 -3.930 1.00 0.00 C ATOM 411 OG SER A 31 -2.617 -17.376 -5.233 1.00 0.00 O ATOM 0 H SER A 31 -3.927 -15.570 -4.415 1.00 0.00 H new ATOM 0 HA SER A 31 -1.763 -15.670 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.078 -17.641 -3.892 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.689 -17.775 -3.215 1.00 0.00 H new ATOM 0 HG SER A 31 -2.635 -18.328 -5.467 1.00 0.00 H new ATOM 417 N ARG A 32 -1.406 -14.449 -5.479 1.00 0.00 N ATOM 418 CA ARG A 32 -0.499 -13.722 -6.360 1.00 0.00 C ATOM 419 C ARG A 32 -0.689 -12.215 -6.212 1.00 0.00 C ATOM 420 O ARG A 32 0.260 -11.443 -6.350 1.00 0.00 O ATOM 421 CB ARG A 32 -0.727 -14.136 -7.815 1.00 0.00 C ATOM 422 CG ARG A 32 0.260 -13.510 -8.787 1.00 0.00 C ATOM 423 CD ARG A 32 0.373 -14.324 -10.067 1.00 0.00 C ATOM 424 NE ARG A 32 1.303 -15.440 -9.926 1.00 0.00 N ATOM 425 CZ ARG A 32 1.517 -16.344 -10.876 1.00 0.00 C ATOM 426 NH1 ARG A 32 0.870 -16.263 -12.030 1.00 0.00 N ATOM 427 NH2 ARG A 32 2.380 -17.331 -10.672 1.00 0.00 N ATOM 0 H ARG A 32 -2.373 -14.481 -5.802 1.00 0.00 H new ATOM 0 HA ARG A 32 0.523 -13.971 -6.075 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.660 -15.221 -7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.739 -13.858 -8.109 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.057 -12.495 -9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.239 -13.434 -8.315 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.611 -14.705 -10.342 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.704 -13.677 -10.880 1.00 0.00 H new ATOM 0 HE ARG A 32 1.817 -15.531 -9.050 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.206 -15.505 -12.190 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.036 -16.958 -12.758 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.880 -17.396 -9.785 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.544 -18.024 -11.402 1.00 0.00 H new ATOM 441 N PHE A 33 -1.921 -11.804 -5.932 1.00 0.00 N ATOM 442 CA PHE A 33 -2.237 -10.390 -5.767 1.00 0.00 C ATOM 443 C PHE A 33 -3.079 -10.163 -4.515 1.00 0.00 C ATOM 444 O PHE A 33 -3.488 -11.113 -3.848 1.00 0.00 O ATOM 445 CB PHE A 33 -2.980 -9.865 -6.997 1.00 0.00 C ATOM 446 CG PHE A 33 -4.371 -10.412 -7.136 1.00 0.00 C ATOM 447 CD1 PHE A 33 -5.417 -9.877 -6.401 1.00 0.00 C ATOM 448 CD2 PHE A 33 -4.634 -11.461 -8.002 1.00 0.00 C ATOM 449 CE1 PHE A 33 -6.698 -10.379 -6.527 1.00 0.00 C ATOM 450 CE2 PHE A 33 -5.914 -11.968 -8.132 1.00 0.00 C ATOM 451 CZ PHE A 33 -6.947 -11.425 -7.394 1.00 0.00 C ATOM 0 H PHE A 33 -2.717 -12.430 -5.815 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.300 -9.845 -5.657 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.030 -8.777 -6.945 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.409 -10.115 -7.891 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.229 -9.058 -5.722 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.830 -11.888 -8.583 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.504 -9.954 -5.948 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.105 -12.787 -8.809 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.948 -11.818 -7.495 1.00 0.00 H new ATOM 461 N VAL A 34 -3.333 -8.896 -4.202 1.00 0.00 N ATOM 462 CA VAL A 34 -4.126 -8.542 -3.031 1.00 0.00 C ATOM 463 C VAL A 34 -4.823 -7.200 -3.224 1.00 0.00 C ATOM 464 O VAL A 34 -4.173 -6.161 -3.331 1.00 0.00 O ATOM 465 CB VAL A 34 -3.255 -8.478 -1.762 1.00 0.00 C ATOM 466 CG1 VAL A 34 -4.109 -8.158 -0.544 1.00 0.00 C ATOM 467 CG2 VAL A 34 -2.502 -9.784 -1.567 1.00 0.00 C ATOM 0 H VAL A 34 -3.001 -8.098 -4.743 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.876 -9.323 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.524 -7.679 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.477 -8.117 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.598 -7.194 -0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.864 -8.933 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.892 -9.721 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.214 -10.603 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.859 -9.966 -2.428 1.00 0.00 H new ATOM 477 N ARG A 35 -6.151 -7.231 -3.268 1.00 0.00 N ATOM 478 CA ARG A 35 -6.938 -6.017 -3.449 1.00 0.00 C ATOM 479 C ARG A 35 -7.156 -5.306 -2.117 1.00 0.00 C ATOM 480 O ARG A 35 -7.269 -5.946 -1.071 1.00 0.00 O ATOM 481 CB ARG A 35 -8.287 -6.348 -4.089 1.00 0.00 C ATOM 482 CG ARG A 35 -9.105 -5.121 -4.456 1.00 0.00 C ATOM 483 CD ARG A 35 -10.495 -5.503 -4.941 1.00 0.00 C ATOM 484 NE ARG A 35 -10.476 -6.022 -6.306 1.00 0.00 N ATOM 485 CZ ARG A 35 -10.209 -7.288 -6.607 1.00 0.00 C ATOM 486 NH1 ARG A 35 -9.940 -8.159 -5.644 1.00 0.00 N ATOM 487 NH2 ARG A 35 -10.210 -7.684 -7.873 1.00 0.00 N ATOM 0 H ARG A 35 -6.704 -8.083 -3.181 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.384 -5.351 -4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.117 -6.943 -4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.864 -6.966 -3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.188 -4.465 -3.589 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.589 -4.558 -5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.918 -6.254 -4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.147 -4.631 -4.894 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.679 -5.377 -7.070 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.938 -7.857 -4.670 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.735 -9.131 -5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.416 -7.016 -8.616 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.005 -8.656 -8.103 1.00 0.00 H new ATOM 501 N LEU A 36 -7.213 -3.980 -2.162 1.00 0.00 N ATOM 502 CA LEU A 36 -7.416 -3.181 -0.959 1.00 0.00 C ATOM 503 C LEU A 36 -8.408 -2.051 -1.216 1.00 0.00 C ATOM 504 O LEU A 36 -8.357 -1.391 -2.253 1.00 0.00 O ATOM 505 CB LEU A 36 -6.085 -2.605 -0.473 1.00 0.00 C ATOM 506 CG LEU A 36 -4.957 -3.614 -0.255 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.602 -2.931 -0.361 1.00 0.00 C ATOM 508 CD2 LEU A 36 -5.107 -4.299 1.095 1.00 0.00 C ATOM 0 H LEU A 36 -7.121 -3.435 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.826 -3.832 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.747 -1.863 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.261 -2.078 0.465 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.020 -4.374 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.811 -3.665 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.494 -2.489 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.528 -2.150 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.295 -5.014 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.071 -3.552 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.062 -4.823 1.133 1.00 0.00 H new ATOM 520 N SER A 37 -9.310 -1.834 -0.264 1.00 0.00 N ATOM 521 CA SER A 37 -10.315 -0.785 -0.388 1.00 0.00 C ATOM 522 C SER A 37 -10.202 0.215 0.758 1.00 0.00 C ATOM 523 O SER A 37 -10.185 -0.166 1.929 1.00 0.00 O ATOM 524 CB SER A 37 -11.718 -1.394 -0.412 1.00 0.00 C ATOM 525 OG SER A 37 -12.690 -0.423 -0.758 1.00 0.00 O ATOM 0 H SER A 37 -9.365 -2.371 0.602 1.00 0.00 H new ATOM 0 HA SER A 37 -10.139 -0.257 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.749 -2.215 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.952 -1.815 0.566 1.00 0.00 H new ATOM 0 HG SER A 37 -13.578 -0.838 -0.768 1.00 0.00 H new ATOM 531 N TRP A 38 -10.124 1.495 0.413 1.00 0.00 N ATOM 532 CA TRP A 38 -10.012 2.551 1.413 1.00 0.00 C ATOM 533 C TRP A 38 -10.966 3.699 1.102 1.00 0.00 C ATOM 534 O TRP A 38 -11.498 3.793 -0.005 1.00 0.00 O ATOM 535 CB TRP A 38 -8.574 3.069 1.478 1.00 0.00 C ATOM 536 CG TRP A 38 -8.063 3.568 0.160 1.00 0.00 C ATOM 537 CD1 TRP A 38 -8.185 4.833 -0.341 1.00 0.00 C ATOM 538 CD2 TRP A 38 -7.350 2.812 -0.824 1.00 0.00 C ATOM 539 NE1 TRP A 38 -7.591 4.908 -1.578 1.00 0.00 N ATOM 540 CE2 TRP A 38 -7.071 3.682 -1.897 1.00 0.00 C ATOM 541 CE3 TRP A 38 -6.919 1.485 -0.904 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -6.382 3.265 -3.033 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -6.235 1.073 -2.032 1.00 0.00 C ATOM 544 CH2 TRP A 38 -5.972 1.961 -3.084 1.00 0.00 C ATOM 0 H TRP A 38 -10.136 1.827 -0.551 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.284 2.131 2.381 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -8.518 3.875 2.210 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.923 2.270 1.833 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.676 5.653 0.161 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -7.545 5.742 -2.164 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -7.117 0.794 -0.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.179 3.947 -3.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.897 0.050 -2.104 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.435 1.609 -3.952 1.00 0.00 H new ATOM 555 N ARG A 39 -11.179 4.568 2.084 1.00 0.00 N ATOM 556 CA ARG A 39 -12.070 5.710 1.914 1.00 0.00 C ATOM 557 C ARG A 39 -11.303 6.929 1.411 1.00 0.00 C ATOM 558 O ARG A 39 -10.201 7.232 1.870 1.00 0.00 O ATOM 559 CB ARG A 39 -12.766 6.041 3.236 1.00 0.00 C ATOM 560 CG ARG A 39 -13.543 7.347 3.203 1.00 0.00 C ATOM 561 CD ARG A 39 -14.017 7.748 4.592 1.00 0.00 C ATOM 562 NE ARG A 39 -14.719 6.659 5.266 1.00 0.00 N ATOM 563 CZ ARG A 39 -15.996 6.364 5.051 1.00 0.00 C ATOM 564 NH1 ARG A 39 -16.707 7.072 4.185 1.00 0.00 N ATOM 565 NH2 ARG A 39 -16.564 5.358 5.703 1.00 0.00 N ATOM 0 H ARG A 39 -10.747 4.504 3.006 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.822 5.445 1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -13.447 5.229 3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -12.019 6.092 4.028 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.914 8.136 2.790 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -14.402 7.244 2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.161 8.054 5.193 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -14.677 8.612 4.514 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.200 6.094 5.939 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.274 7.846 3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -17.687 6.843 4.022 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.020 4.811 6.370 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -17.545 5.132 5.537 1.00 0.00 H new ATOM 579 N PRO A 40 -11.897 7.644 0.444 1.00 0.00 N ATOM 580 CA PRO A 40 -11.287 8.841 -0.142 1.00 0.00 C ATOM 581 C PRO A 40 -11.248 10.011 0.835 1.00 0.00 C ATOM 582 O PRO A 40 -12.040 10.092 1.775 1.00 0.00 O ATOM 583 CB PRO A 40 -12.204 9.163 -1.325 1.00 0.00 C ATOM 584 CG PRO A 40 -13.520 8.571 -0.956 1.00 0.00 C ATOM 585 CD PRO A 40 -13.209 7.340 -0.150 1.00 0.00 C ATOM 0 HA PRO A 40 -10.248 8.672 -0.423 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.284 10.239 -1.483 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -11.822 8.733 -2.251 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.117 9.276 -0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.098 8.319 -1.845 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -13.964 7.159 0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.170 6.449 -0.776 1.00 0.00 H new ATOM 593 N PRO A 41 -10.307 10.940 0.611 1.00 0.00 N ATOM 594 CA PRO A 41 -10.144 12.123 1.462 1.00 0.00 C ATOM 595 C PRO A 41 -11.295 13.111 1.308 1.00 0.00 C ATOM 596 O PRO A 41 -11.625 13.525 0.197 1.00 0.00 O ATOM 597 CB PRO A 41 -8.837 12.742 0.961 1.00 0.00 C ATOM 598 CG PRO A 41 -8.714 12.278 -0.449 1.00 0.00 C ATOM 599 CD PRO A 41 -9.330 10.907 -0.490 1.00 0.00 C ATOM 0 HA PRO A 41 -10.131 11.865 2.521 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.867 13.830 1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.988 12.414 1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.228 12.957 -1.129 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.670 12.246 -0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.811 10.711 -1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.584 10.126 -0.342 1.00 0.00 H new ATOM 607 N ALA A 42 -11.902 13.485 2.429 1.00 0.00 N ATOM 608 CA ALA A 42 -13.015 14.426 2.418 1.00 0.00 C ATOM 609 C ALA A 42 -12.582 15.781 1.868 1.00 0.00 C ATOM 610 O ALA A 42 -13.270 16.371 1.036 1.00 0.00 O ATOM 611 CB ALA A 42 -13.589 14.582 3.819 1.00 0.00 C ATOM 0 H ALA A 42 -11.642 13.151 3.357 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.789 14.027 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.419 15.288 3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.944 13.615 4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.815 14.955 4.490 1.00 0.00 H new ATOM 617 N GLU A 43 -11.438 16.268 2.339 1.00 0.00 N ATOM 618 CA GLU A 43 -10.916 17.554 1.894 1.00 0.00 C ATOM 619 C GLU A 43 -9.736 17.364 0.945 1.00 0.00 C ATOM 620 O GLU A 43 -8.581 17.533 1.332 1.00 0.00 O ATOM 621 CB GLU A 43 -10.485 18.398 3.096 1.00 0.00 C ATOM 622 CG GLU A 43 -11.650 18.968 3.888 1.00 0.00 C ATOM 623 CD GLU A 43 -11.200 19.866 5.024 1.00 0.00 C ATOM 624 OE1 GLU A 43 -10.148 19.572 5.630 1.00 0.00 O ATOM 625 OE2 GLU A 43 -11.898 20.862 5.306 1.00 0.00 O ATOM 0 H GLU A 43 -10.856 15.792 3.028 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.711 18.074 1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.871 17.786 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.858 19.218 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.298 19.533 3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.245 18.149 4.291 1.00 0.00 H new ATOM 632 N ALA A 44 -10.038 17.010 -0.300 1.00 0.00 N ATOM 633 CA ALA A 44 -9.005 16.797 -1.306 1.00 0.00 C ATOM 634 C ALA A 44 -8.264 18.094 -1.614 1.00 0.00 C ATOM 635 O ALA A 44 -7.111 18.076 -2.045 1.00 0.00 O ATOM 636 CB ALA A 44 -9.614 16.221 -2.575 1.00 0.00 C ATOM 0 H ALA A 44 -10.990 16.865 -0.636 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.285 16.083 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.831 16.067 -3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -10.092 15.268 -2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.357 16.915 -2.970 1.00 0.00 H new ATOM 642 N LYS A 45 -8.934 19.220 -1.391 1.00 0.00 N ATOM 643 CA LYS A 45 -8.339 20.527 -1.644 1.00 0.00 C ATOM 644 C LYS A 45 -7.841 20.629 -3.082 1.00 0.00 C ATOM 645 O LYS A 45 -6.729 21.091 -3.333 1.00 0.00 O ATOM 646 CB LYS A 45 -7.184 20.781 -0.674 1.00 0.00 C ATOM 647 CG LYS A 45 -7.577 20.654 0.788 1.00 0.00 C ATOM 648 CD LYS A 45 -8.471 21.801 1.227 1.00 0.00 C ATOM 649 CE LYS A 45 -9.942 21.467 1.034 1.00 0.00 C ATOM 650 NZ LYS A 45 -10.754 22.683 0.749 1.00 0.00 N ATOM 0 H LYS A 45 -9.889 19.253 -1.036 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.108 21.284 -1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.380 20.077 -0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.787 21.781 -0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.094 19.708 0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.680 20.634 1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.283 22.029 2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.222 22.696 0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.049 20.758 0.213 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.324 20.977 1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.751 22.413 0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.673 23.349 1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.406 23.137 -0.120 1.00 0.00 H new ATOM 664 N GLY A 46 -8.673 20.196 -4.025 1.00 0.00 N ATOM 665 CA GLY A 46 -8.299 20.248 -5.426 1.00 0.00 C ATOM 666 C GLY A 46 -8.753 19.022 -6.194 1.00 0.00 C ATOM 667 O GLY A 46 -9.792 18.440 -5.887 1.00 0.00 O ATOM 0 H GLY A 46 -9.600 19.810 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.732 21.139 -5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.216 20.343 -5.506 1.00 0.00 H new ATOM 671 N ASN A 47 -7.972 18.631 -7.195 1.00 0.00 N ATOM 672 CA ASN A 47 -8.301 17.468 -8.011 1.00 0.00 C ATOM 673 C ASN A 47 -7.224 16.394 -7.887 1.00 0.00 C ATOM 674 O ASN A 47 -6.054 16.638 -8.183 1.00 0.00 O ATOM 675 CB ASN A 47 -8.464 17.876 -9.477 1.00 0.00 C ATOM 676 CG ASN A 47 -8.832 16.703 -10.366 1.00 0.00 C ATOM 677 OD1 ASN A 47 -8.140 16.408 -11.340 1.00 0.00 O ATOM 678 ND2 ASN A 47 -9.927 16.030 -10.033 1.00 0.00 N ATOM 0 H ASN A 47 -7.107 19.102 -7.461 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.243 17.056 -7.649 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.235 18.643 -9.554 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.535 18.321 -9.833 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.225 15.232 -10.594 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.470 16.311 -9.216 1.00 0.00 H new ATOM 685 N ILE A 48 -7.627 15.207 -7.448 1.00 0.00 N ATOM 686 CA ILE A 48 -6.697 14.096 -7.287 1.00 0.00 C ATOM 687 C ILE A 48 -6.514 13.338 -8.597 1.00 0.00 C ATOM 688 O ILE A 48 -7.438 13.243 -9.404 1.00 0.00 O ATOM 689 CB ILE A 48 -7.176 13.115 -6.201 1.00 0.00 C ATOM 690 CG1 ILE A 48 -7.272 13.824 -4.848 1.00 0.00 C ATOM 691 CG2 ILE A 48 -6.235 11.922 -6.113 1.00 0.00 C ATOM 692 CD1 ILE A 48 -7.923 12.984 -3.771 1.00 0.00 C ATOM 0 H ILE A 48 -8.591 14.989 -7.197 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.742 14.525 -6.982 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.168 12.753 -6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.271 14.105 -4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.839 14.747 -4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.587 11.237 -5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.211 11.406 -7.073 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.232 12.267 -5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.957 13.549 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -8.937 12.724 -4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.344 12.073 -3.621 1.00 0.00 H new ATOM 704 N GLN A 49 -5.316 12.799 -8.800 1.00 0.00 N ATOM 705 CA GLN A 49 -5.013 12.047 -10.012 1.00 0.00 C ATOM 706 C GLN A 49 -5.129 10.547 -9.765 1.00 0.00 C ATOM 707 O GLN A 49 -5.843 9.842 -10.480 1.00 0.00 O ATOM 708 CB GLN A 49 -3.607 12.387 -10.509 1.00 0.00 C ATOM 709 CG GLN A 49 -3.405 13.866 -10.799 1.00 0.00 C ATOM 710 CD GLN A 49 -4.585 14.486 -11.520 1.00 0.00 C ATOM 711 OE1 GLN A 49 -4.685 14.416 -12.746 1.00 0.00 O ATOM 712 NE2 GLN A 49 -5.488 15.098 -10.763 1.00 0.00 N ATOM 0 H GLN A 49 -4.540 12.869 -8.142 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.739 12.328 -10.775 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.880 12.069 -9.762 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.403 11.816 -11.415 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.237 14.396 -9.862 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.507 13.994 -11.403 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.366 15.133 -9.751 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.304 15.534 -11.194 1.00 0.00 H new ATOM 721 N THR A 50 -4.421 10.062 -8.749 1.00 0.00 N ATOM 722 CA THR A 50 -4.443 8.645 -8.409 1.00 0.00 C ATOM 723 C THR A 50 -3.906 8.409 -7.003 1.00 0.00 C ATOM 724 O THR A 50 -3.435 9.336 -6.343 1.00 0.00 O ATOM 725 CB THR A 50 -3.616 7.815 -9.409 1.00 0.00 C ATOM 726 OG1 THR A 50 -3.804 6.418 -9.158 1.00 0.00 O ATOM 727 CG2 THR A 50 -2.138 8.159 -9.306 1.00 0.00 C ATOM 0 H THR A 50 -3.825 10.631 -8.147 1.00 0.00 H new ATOM 0 HA THR A 50 -5.484 8.324 -8.456 1.00 0.00 H new ATOM 0 HB THR A 50 -3.959 8.053 -10.416 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.755 6.238 -9.007 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.574 7.560 -10.022 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.995 9.217 -9.525 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.784 7.946 -8.297 1.00 0.00 H new ATOM 735 N PHE A 51 -3.979 7.162 -6.548 1.00 0.00 N ATOM 736 CA PHE A 51 -3.499 6.804 -5.218 1.00 0.00 C ATOM 737 C PHE A 51 -2.299 5.867 -5.307 1.00 0.00 C ATOM 738 O PHE A 51 -2.322 4.876 -6.038 1.00 0.00 O ATOM 739 CB PHE A 51 -4.618 6.143 -4.411 1.00 0.00 C ATOM 740 CG PHE A 51 -5.594 7.123 -3.825 1.00 0.00 C ATOM 741 CD1 PHE A 51 -6.581 7.694 -4.613 1.00 0.00 C ATOM 742 CD2 PHE A 51 -5.526 7.473 -2.486 1.00 0.00 C ATOM 743 CE1 PHE A 51 -7.480 8.596 -4.077 1.00 0.00 C ATOM 744 CE2 PHE A 51 -6.422 8.375 -1.944 1.00 0.00 C ATOM 745 CZ PHE A 51 -7.401 8.936 -2.741 1.00 0.00 C ATOM 0 H PHE A 51 -4.366 6.383 -7.081 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.187 7.718 -4.713 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.156 5.447 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.176 5.556 -3.605 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.648 7.431 -5.658 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.764 7.036 -1.858 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.244 9.035 -4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.357 8.641 -0.899 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.104 9.640 -2.320 1.00 0.00 H new ATOM 755 N THR A 52 -1.249 6.187 -4.557 1.00 0.00 N ATOM 756 CA THR A 52 -0.038 5.376 -4.552 1.00 0.00 C ATOM 757 C THR A 52 -0.051 4.377 -3.401 1.00 0.00 C ATOM 758 O THR A 52 -0.201 4.754 -2.239 1.00 0.00 O ATOM 759 CB THR A 52 1.224 6.252 -4.442 1.00 0.00 C ATOM 760 OG1 THR A 52 1.210 7.262 -5.456 1.00 0.00 O ATOM 761 CG2 THR A 52 2.483 5.408 -4.578 1.00 0.00 C ATOM 0 H THR A 52 -1.213 7.002 -3.945 1.00 0.00 H new ATOM 0 HA THR A 52 -0.015 4.836 -5.498 1.00 0.00 H new ATOM 0 HB THR A 52 1.226 6.724 -3.460 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.343 8.141 -5.044 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.361 6.049 -4.497 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.506 4.659 -3.787 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.485 4.911 -5.548 1.00 0.00 H new ATOM 769 N VAL A 53 0.108 3.099 -3.731 1.00 0.00 N ATOM 770 CA VAL A 53 0.116 2.044 -2.724 1.00 0.00 C ATOM 771 C VAL A 53 1.465 1.335 -2.682 1.00 0.00 C ATOM 772 O VAL A 53 1.856 0.663 -3.637 1.00 0.00 O ATOM 773 CB VAL A 53 -0.989 1.006 -2.990 1.00 0.00 C ATOM 774 CG1 VAL A 53 -0.866 -0.165 -2.026 1.00 0.00 C ATOM 775 CG2 VAL A 53 -2.363 1.651 -2.884 1.00 0.00 C ATOM 0 H VAL A 53 0.233 2.769 -4.688 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.070 2.523 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.868 0.625 -4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.656 -0.888 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.105 -0.642 -2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.960 0.196 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.132 0.903 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.496 2.061 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.446 2.452 -3.618 1.00 0.00 H new ATOM 785 N PHE A 54 2.174 1.488 -1.568 1.00 0.00 N ATOM 786 CA PHE A 54 3.481 0.863 -1.401 1.00 0.00 C ATOM 787 C PHE A 54 3.336 -0.581 -0.931 1.00 0.00 C ATOM 788 O PHE A 54 2.419 -0.912 -0.178 1.00 0.00 O ATOM 789 CB PHE A 54 4.325 1.655 -0.401 1.00 0.00 C ATOM 790 CG PHE A 54 4.688 3.032 -0.880 1.00 0.00 C ATOM 791 CD1 PHE A 54 3.752 4.054 -0.865 1.00 0.00 C ATOM 792 CD2 PHE A 54 5.964 3.304 -1.346 1.00 0.00 C ATOM 793 CE1 PHE A 54 4.083 5.321 -1.306 1.00 0.00 C ATOM 794 CE2 PHE A 54 6.301 4.569 -1.788 1.00 0.00 C ATOM 795 CZ PHE A 54 5.359 5.579 -1.767 1.00 0.00 C ATOM 0 H PHE A 54 1.865 2.040 -0.767 1.00 0.00 H new ATOM 0 HA PHE A 54 3.983 0.863 -2.369 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.778 1.738 0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.239 1.100 -0.189 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.753 3.858 -0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.704 2.518 -1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.344 6.109 -1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.299 4.768 -2.149 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.620 6.569 -2.111 1.00 0.00 H new ATOM 805 N PHE A 55 4.248 -1.438 -1.380 1.00 0.00 N ATOM 806 CA PHE A 55 4.222 -2.847 -1.007 1.00 0.00 C ATOM 807 C PHE A 55 5.595 -3.485 -1.195 1.00 0.00 C ATOM 808 O PHE A 55 6.168 -3.441 -2.283 1.00 0.00 O ATOM 809 CB PHE A 55 3.180 -3.598 -1.839 1.00 0.00 C ATOM 810 CG PHE A 55 3.424 -3.517 -3.319 1.00 0.00 C ATOM 811 CD1 PHE A 55 3.119 -2.363 -4.022 1.00 0.00 C ATOM 812 CD2 PHE A 55 3.958 -4.595 -4.006 1.00 0.00 C ATOM 813 CE1 PHE A 55 3.342 -2.287 -5.384 1.00 0.00 C ATOM 814 CE2 PHE A 55 4.183 -4.524 -5.368 1.00 0.00 C ATOM 815 CZ PHE A 55 3.876 -3.368 -6.058 1.00 0.00 C ATOM 0 H PHE A 55 5.014 -1.181 -2.003 1.00 0.00 H new ATOM 0 HA PHE A 55 3.951 -2.913 0.047 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.171 -4.645 -1.537 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.192 -3.195 -1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.703 -1.514 -3.500 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.201 -5.501 -3.471 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.099 -1.382 -5.921 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.599 -5.372 -5.892 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.053 -3.309 -7.122 1.00 0.00 H new ATOM 825 N SER A 56 6.118 -4.077 -0.125 1.00 0.00 N ATOM 826 CA SER A 56 7.426 -4.720 -0.170 1.00 0.00 C ATOM 827 C SER A 56 7.471 -5.925 0.764 1.00 0.00 C ATOM 828 O SER A 56 6.734 -5.990 1.748 1.00 0.00 O ATOM 829 CB SER A 56 8.521 -3.723 0.213 1.00 0.00 C ATOM 830 OG SER A 56 8.554 -3.515 1.614 1.00 0.00 O ATOM 0 H SER A 56 5.656 -4.124 0.783 1.00 0.00 H new ATOM 0 HA SER A 56 7.599 -5.065 -1.189 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.489 -4.093 -0.126 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.347 -2.774 -0.295 1.00 0.00 H new ATOM 0 HG SER A 56 9.426 -3.149 1.870 1.00 0.00 H new ATOM 836 N ARG A 57 8.341 -6.879 0.447 1.00 0.00 N ATOM 837 CA ARG A 57 8.482 -8.084 1.257 1.00 0.00 C ATOM 838 C ARG A 57 9.158 -7.768 2.587 1.00 0.00 C ATOM 839 O ARG A 57 10.251 -7.203 2.620 1.00 0.00 O ATOM 840 CB ARG A 57 9.288 -9.140 0.500 1.00 0.00 C ATOM 841 CG ARG A 57 9.797 -10.267 1.384 1.00 0.00 C ATOM 842 CD ARG A 57 9.993 -11.551 0.593 1.00 0.00 C ATOM 843 NE ARG A 57 11.255 -11.553 -0.143 1.00 0.00 N ATOM 844 CZ ARG A 57 11.836 -12.656 -0.601 1.00 0.00 C ATOM 845 NH1 ARG A 57 11.272 -13.839 -0.400 1.00 0.00 N ATOM 846 NH2 ARG A 57 12.984 -12.577 -1.262 1.00 0.00 N ATOM 0 H ARG A 57 8.958 -6.841 -0.364 1.00 0.00 H new ATOM 0 HA ARG A 57 7.485 -8.475 1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.667 -9.562 -0.290 1.00 0.00 H new ATOM 0 HB3 ARG A 57 10.137 -8.658 0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.741 -9.973 1.842 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.090 -10.442 2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.968 -12.403 1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.166 -11.676 -0.106 1.00 0.00 H new ATOM 0 HE ARG A 57 11.715 -10.659 -0.314 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.390 -13.904 0.108 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.721 -14.684 -0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.421 -11.669 -1.419 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.430 -13.425 -1.613 1.00 0.00 H new ATOM 860 N GLU A 58 8.501 -8.139 3.682 1.00 0.00 N ATOM 861 CA GLU A 58 9.040 -7.894 5.015 1.00 0.00 C ATOM 862 C GLU A 58 10.488 -8.365 5.112 1.00 0.00 C ATOM 863 O GLU A 58 10.754 -9.548 5.322 1.00 0.00 O ATOM 864 CB GLU A 58 8.189 -8.603 6.071 1.00 0.00 C ATOM 865 CG GLU A 58 7.083 -7.734 6.646 1.00 0.00 C ATOM 866 CD GLU A 58 7.615 -6.484 7.321 1.00 0.00 C ATOM 867 OE1 GLU A 58 8.754 -6.523 7.830 1.00 0.00 O ATOM 868 OE2 GLU A 58 6.890 -5.467 7.339 1.00 0.00 O ATOM 0 H GLU A 58 7.596 -8.610 3.672 1.00 0.00 H new ATOM 0 HA GLU A 58 9.013 -6.820 5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.746 -9.495 5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.836 -8.937 6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.398 -7.448 5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.507 -8.315 7.367 1.00 0.00 H new ATOM 875 N GLY A 59 11.420 -7.430 4.955 1.00 0.00 N ATOM 876 CA GLY A 59 12.829 -7.769 5.028 1.00 0.00 C ATOM 877 C GLY A 59 13.590 -7.353 3.785 1.00 0.00 C ATOM 878 O GLY A 59 14.529 -8.031 3.367 1.00 0.00 O ATOM 0 H GLY A 59 11.225 -6.445 4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.271 -7.286 5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.934 -8.844 5.172 1.00 0.00 H new ATOM 882 N ASP A 60 13.185 -6.235 3.191 1.00 0.00 N ATOM 883 CA ASP A 60 13.834 -5.730 1.988 1.00 0.00 C ATOM 884 C ASP A 60 14.622 -4.458 2.288 1.00 0.00 C ATOM 885 O ASP A 60 14.604 -3.957 3.412 1.00 0.00 O ATOM 886 CB ASP A 60 12.796 -5.455 0.899 1.00 0.00 C ATOM 887 CG ASP A 60 13.361 -5.629 -0.497 1.00 0.00 C ATOM 888 OD1 ASP A 60 13.616 -6.785 -0.895 1.00 0.00 O ATOM 889 OD2 ASP A 60 13.550 -4.608 -1.193 1.00 0.00 O ATOM 0 H ASP A 60 12.410 -5.662 3.524 1.00 0.00 H new ATOM 0 HA ASP A 60 14.528 -6.492 1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.948 -6.127 1.031 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.417 -4.439 1.010 1.00 0.00 H new ATOM 894 N ASN A 61 15.313 -3.943 1.277 1.00 0.00 N ATOM 895 CA ASN A 61 16.109 -2.731 1.434 1.00 0.00 C ATOM 896 C ASN A 61 15.260 -1.487 1.188 1.00 0.00 C ATOM 897 O ASN A 61 15.357 -0.502 1.920 1.00 0.00 O ATOM 898 CB ASN A 61 17.298 -2.748 0.471 1.00 0.00 C ATOM 899 CG ASN A 61 18.454 -3.579 0.995 1.00 0.00 C ATOM 900 OD1 ASN A 61 18.305 -4.333 1.957 1.00 0.00 O ATOM 901 ND2 ASN A 61 19.614 -3.444 0.363 1.00 0.00 N ATOM 0 H ASN A 61 15.338 -4.346 0.340 1.00 0.00 H new ATOM 0 HA ASN A 61 16.480 -2.700 2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 61 16.976 -3.144 -0.492 1.00 0.00 H new ATOM 0 HB3 ASN A 61 17.637 -1.727 0.298 1.00 0.00 H new ATOM 0 HD21 ASN A 61 20.427 -3.977 0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.692 -2.807 -0.430 1.00 0.00 H new ATOM 908 N ARG A 62 14.427 -1.541 0.153 1.00 0.00 N ATOM 909 CA ARG A 62 13.562 -0.419 -0.189 1.00 0.00 C ATOM 910 C ARG A 62 12.145 -0.898 -0.492 1.00 0.00 C ATOM 911 O ARG A 62 11.903 -2.096 -0.639 1.00 0.00 O ATOM 912 CB ARG A 62 14.124 0.338 -1.394 1.00 0.00 C ATOM 913 CG ARG A 62 14.129 -0.478 -2.677 1.00 0.00 C ATOM 914 CD ARG A 62 15.428 -1.252 -2.840 1.00 0.00 C ATOM 915 NE ARG A 62 16.577 -0.365 -3.004 1.00 0.00 N ATOM 916 CZ ARG A 62 17.815 -0.797 -3.214 1.00 0.00 C ATOM 917 NH1 ARG A 62 18.064 -2.098 -3.284 1.00 0.00 N ATOM 918 NH2 ARG A 62 18.808 0.072 -3.354 1.00 0.00 N ATOM 0 H ARG A 62 14.333 -2.349 -0.462 1.00 0.00 H new ATOM 0 HA ARG A 62 13.525 0.253 0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.536 1.242 -1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.143 0.655 -1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.289 -1.172 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.989 0.184 -3.531 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.583 -1.888 -1.969 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.352 -1.910 -3.706 1.00 0.00 H new ATOM 0 HE ARG A 62 16.420 0.642 -2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.304 -2.769 -3.176 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.016 -2.427 -3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.621 1.073 -3.300 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.758 -0.261 -3.515 1.00 0.00 H new ATOM 932 N GLU A 63 11.213 0.046 -0.583 1.00 0.00 N ATOM 933 CA GLU A 63 9.821 -0.281 -0.867 1.00 0.00 C ATOM 934 C GLU A 63 9.472 0.036 -2.318 1.00 0.00 C ATOM 935 O GLU A 63 10.126 0.859 -2.959 1.00 0.00 O ATOM 936 CB GLU A 63 8.891 0.489 0.073 1.00 0.00 C ATOM 937 CG GLU A 63 8.585 -0.248 1.366 1.00 0.00 C ATOM 938 CD GLU A 63 9.620 0.009 2.444 1.00 0.00 C ATOM 939 OE1 GLU A 63 10.777 0.320 2.093 1.00 0.00 O ATOM 940 OE2 GLU A 63 9.271 -0.099 3.638 1.00 0.00 O ATOM 0 H GLU A 63 11.397 1.042 -0.464 1.00 0.00 H new ATOM 0 HA GLU A 63 9.686 -1.350 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.345 1.451 0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.956 0.698 -0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.604 0.057 1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.532 -1.318 1.166 1.00 0.00 H new ATOM 947 N ARG A 64 8.437 -0.623 -2.830 1.00 0.00 N ATOM 948 CA ARG A 64 8.003 -0.413 -4.205 1.00 0.00 C ATOM 949 C ARG A 64 6.962 0.700 -4.282 1.00 0.00 C ATOM 950 O ARG A 64 6.606 1.302 -3.270 1.00 0.00 O ATOM 951 CB ARG A 64 7.425 -1.706 -4.783 1.00 0.00 C ATOM 952 CG ARG A 64 8.428 -2.847 -4.843 1.00 0.00 C ATOM 953 CD ARG A 64 7.979 -3.933 -5.809 1.00 0.00 C ATOM 954 NE ARG A 64 8.879 -5.083 -5.797 1.00 0.00 N ATOM 955 CZ ARG A 64 8.518 -6.303 -6.176 1.00 0.00 C ATOM 956 NH1 ARG A 64 7.281 -6.532 -6.595 1.00 0.00 N ATOM 957 NH2 ARG A 64 9.395 -7.298 -6.136 1.00 0.00 N ATOM 0 H ARG A 64 7.884 -1.306 -2.313 1.00 0.00 H new ATOM 0 HA ARG A 64 8.872 -0.117 -4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.572 -2.015 -4.179 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.050 -1.510 -5.787 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.400 -2.463 -5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.556 -3.273 -3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.972 -4.258 -5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.929 -3.523 -6.818 1.00 0.00 H new ATOM 0 HE ARG A 64 9.838 -4.941 -5.480 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.604 -5.770 -6.627 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.006 -7.470 -6.886 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.347 -7.126 -5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.117 -8.235 -6.427 1.00 0.00 H new ATOM 971 N ALA A 65 6.478 0.969 -5.491 1.00 0.00 N ATOM 972 CA ALA A 65 5.478 2.008 -5.700 1.00 0.00 C ATOM 973 C ALA A 65 4.570 1.667 -6.877 1.00 0.00 C ATOM 974 O ALA A 65 5.044 1.336 -7.964 1.00 0.00 O ATOM 975 CB ALA A 65 6.153 3.353 -5.924 1.00 0.00 C ATOM 0 H ALA A 65 6.763 0.481 -6.340 1.00 0.00 H new ATOM 0 HA ALA A 65 4.860 2.069 -4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.394 4.120 -6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.754 3.608 -5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.795 3.296 -6.803 1.00 0.00 H new ATOM 981 N LEU A 66 3.263 1.749 -6.652 1.00 0.00 N ATOM 982 CA LEU A 66 2.288 1.448 -7.695 1.00 0.00 C ATOM 983 C LEU A 66 1.061 2.347 -7.569 1.00 0.00 C ATOM 984 O LEU A 66 0.227 2.154 -6.685 1.00 0.00 O ATOM 985 CB LEU A 66 1.868 -0.021 -7.619 1.00 0.00 C ATOM 986 CG LEU A 66 0.695 -0.430 -8.511 1.00 0.00 C ATOM 987 CD1 LEU A 66 1.095 -0.374 -9.977 1.00 0.00 C ATOM 988 CD2 LEU A 66 0.206 -1.823 -8.143 1.00 0.00 C ATOM 0 H LEU A 66 2.854 2.021 -5.758 1.00 0.00 H new ATOM 0 HA LEU A 66 2.756 1.636 -8.661 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.728 -0.638 -7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.610 -0.252 -6.585 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.121 0.274 -8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.248 -0.668 -10.597 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.397 0.642 -10.233 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.927 -1.055 -10.153 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.629 -2.098 -8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.017 -2.540 -8.274 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.121 -1.831 -7.103 1.00 0.00 H new ATOM 1000 N ASN A 67 0.958 3.327 -8.460 1.00 0.00 N ATOM 1001 CA ASN A 67 -0.167 4.255 -8.449 1.00 0.00 C ATOM 1002 C ASN A 67 -1.017 4.093 -9.705 1.00 0.00 C ATOM 1003 O ASN A 67 -0.645 4.553 -10.785 1.00 0.00 O ATOM 1004 CB ASN A 67 0.334 5.696 -8.341 1.00 0.00 C ATOM 1005 CG ASN A 67 1.578 5.940 -9.173 1.00 0.00 C ATOM 1006 OD1 ASN A 67 2.701 5.794 -8.689 1.00 0.00 O ATOM 1007 ND2 ASN A 67 1.383 6.313 -10.433 1.00 0.00 N ATOM 0 H ASN A 67 1.640 3.499 -9.199 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.785 4.027 -7.581 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.454 6.377 -8.663 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.548 5.926 -7.297 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.182 6.491 -11.042 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.434 6.421 -10.792 1.00 0.00 H new ATOM 1014 N THR A 68 -2.163 3.435 -9.557 1.00 0.00 N ATOM 1015 CA THR A 68 -3.067 3.212 -10.679 1.00 0.00 C ATOM 1016 C THR A 68 -4.447 2.782 -10.196 1.00 0.00 C ATOM 1017 O THR A 68 -4.616 1.688 -9.657 1.00 0.00 O ATOM 1018 CB THR A 68 -2.515 2.141 -11.639 1.00 0.00 C ATOM 1019 OG1 THR A 68 -1.240 2.548 -12.146 1.00 0.00 O ATOM 1020 CG2 THR A 68 -3.475 1.906 -12.796 1.00 0.00 C ATOM 0 H THR A 68 -2.487 3.047 -8.671 1.00 0.00 H new ATOM 0 HA THR A 68 -3.151 4.159 -11.211 1.00 0.00 H new ATOM 0 HB THR A 68 -2.404 1.209 -11.084 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.163 3.524 -12.093 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.064 1.146 -13.461 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.436 1.568 -12.408 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.613 2.835 -13.349 1.00 0.00 H new ATOM 1028 N THR A 69 -5.434 3.651 -10.392 1.00 0.00 N ATOM 1029 CA THR A 69 -6.801 3.362 -9.976 1.00 0.00 C ATOM 1030 C THR A 69 -7.810 3.943 -10.959 1.00 0.00 C ATOM 1031 O THR A 69 -7.462 4.767 -11.805 1.00 0.00 O ATOM 1032 CB THR A 69 -7.090 3.921 -8.570 1.00 0.00 C ATOM 1033 OG1 THR A 69 -6.523 5.229 -8.437 1.00 0.00 O ATOM 1034 CG2 THR A 69 -6.524 3.005 -7.496 1.00 0.00 C ATOM 0 H THR A 69 -5.312 4.561 -10.836 1.00 0.00 H new ATOM 0 HA THR A 69 -6.902 2.277 -9.956 1.00 0.00 H new ATOM 0 HB THR A 69 -8.171 3.979 -8.441 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.712 5.578 -7.541 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.741 3.421 -6.512 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.980 2.019 -7.582 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.445 2.918 -7.624 1.00 0.00 H new ATOM 1042 N GLN A 70 -9.061 3.509 -10.843 1.00 0.00 N ATOM 1043 CA GLN A 70 -10.120 3.987 -11.723 1.00 0.00 C ATOM 1044 C GLN A 70 -10.622 5.356 -11.277 1.00 0.00 C ATOM 1045 O GLN A 70 -10.418 5.779 -10.138 1.00 0.00 O ATOM 1046 CB GLN A 70 -11.279 2.990 -11.750 1.00 0.00 C ATOM 1047 CG GLN A 70 -11.143 1.927 -12.828 1.00 0.00 C ATOM 1048 CD GLN A 70 -11.665 2.390 -14.174 1.00 0.00 C ATOM 1049 OE1 GLN A 70 -12.857 2.278 -14.462 1.00 0.00 O ATOM 1050 NE2 GLN A 70 -10.774 2.915 -15.007 1.00 0.00 N ATOM 0 H GLN A 70 -9.366 2.827 -10.148 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.708 4.081 -12.728 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.350 2.502 -10.778 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.211 3.534 -11.903 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.094 1.647 -12.926 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.685 1.032 -12.521 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.796 2.989 -14.727 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.068 3.245 -15.926 1.00 0.00 H new ATOM 1059 N PRO A 71 -11.294 6.068 -12.193 1.00 0.00 N ATOM 1060 CA PRO A 71 -11.840 7.401 -11.916 1.00 0.00 C ATOM 1061 C PRO A 71 -13.015 7.356 -10.946 1.00 0.00 C ATOM 1062 O PRO A 71 -14.174 7.347 -11.359 1.00 0.00 O ATOM 1063 CB PRO A 71 -12.301 7.888 -13.292 1.00 0.00 C ATOM 1064 CG PRO A 71 -12.567 6.643 -14.066 1.00 0.00 C ATOM 1065 CD PRO A 71 -11.575 5.628 -13.570 1.00 0.00 C ATOM 0 HA PRO A 71 -11.105 8.052 -11.442 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.197 8.504 -13.214 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.536 8.497 -13.773 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.589 6.298 -13.911 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.448 6.815 -15.136 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.987 4.619 -13.593 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.672 5.617 -14.180 1.00 0.00 H new ATOM 1073 N GLY A 72 -12.708 7.329 -9.652 1.00 0.00 N ATOM 1074 CA GLY A 72 -13.750 7.286 -8.643 1.00 0.00 C ATOM 1075 C GLY A 72 -13.611 6.094 -7.717 1.00 0.00 C ATOM 1076 O GLY A 72 -14.050 6.138 -6.568 1.00 0.00 O ATOM 0 H GLY A 72 -11.756 7.336 -9.285 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -13.721 8.204 -8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.724 7.251 -9.132 1.00 0.00 H new ATOM 1080 N SER A 73 -13.001 5.025 -8.218 1.00 0.00 N ATOM 1081 CA SER A 73 -12.811 3.813 -7.429 1.00 0.00 C ATOM 1082 C SER A 73 -11.581 3.935 -6.534 1.00 0.00 C ATOM 1083 O SER A 73 -10.477 4.207 -7.009 1.00 0.00 O ATOM 1084 CB SER A 73 -12.668 2.598 -8.348 1.00 0.00 C ATOM 1085 OG SER A 73 -13.667 2.598 -9.352 1.00 0.00 O ATOM 0 H SER A 73 -12.630 4.973 -9.167 1.00 0.00 H new ATOM 0 HA SER A 73 -13.688 3.680 -6.796 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.682 2.603 -8.812 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.739 1.683 -7.760 1.00 0.00 H new ATOM 0 HG SER A 73 -13.553 1.813 -9.927 1.00 0.00 H new ATOM 1091 N LEU A 74 -11.780 3.732 -5.236 1.00 0.00 N ATOM 1092 CA LEU A 74 -10.688 3.819 -4.273 1.00 0.00 C ATOM 1093 C LEU A 74 -10.103 2.440 -3.986 1.00 0.00 C ATOM 1094 O LEU A 74 -9.455 2.231 -2.961 1.00 0.00 O ATOM 1095 CB LEU A 74 -11.179 4.458 -2.972 1.00 0.00 C ATOM 1096 CG LEU A 74 -11.339 5.978 -2.990 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -10.052 6.645 -3.451 1.00 0.00 C ATOM 1098 CD2 LEU A 74 -12.502 6.382 -3.885 1.00 0.00 C ATOM 0 H LEU A 74 -12.687 3.506 -4.827 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.905 4.443 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.140 4.015 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.482 4.195 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.554 6.313 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.185 7.727 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.242 6.383 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -9.805 6.304 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.601 7.468 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.317 6.034 -4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.422 5.934 -3.510 1.00 0.00 H new ATOM 1110 N GLN A 75 -10.336 1.503 -4.900 1.00 0.00 N ATOM 1111 CA GLN A 75 -9.831 0.144 -4.745 1.00 0.00 C ATOM 1112 C GLN A 75 -8.746 -0.154 -5.775 1.00 0.00 C ATOM 1113 O GLN A 75 -8.858 0.232 -6.940 1.00 0.00 O ATOM 1114 CB GLN A 75 -10.972 -0.866 -4.882 1.00 0.00 C ATOM 1115 CG GLN A 75 -12.094 -0.655 -3.879 1.00 0.00 C ATOM 1116 CD GLN A 75 -13.131 -1.760 -3.923 1.00 0.00 C ATOM 1117 OE1 GLN A 75 -13.204 -2.594 -3.020 1.00 0.00 O ATOM 1118 NE2 GLN A 75 -13.939 -1.773 -4.976 1.00 0.00 N ATOM 0 H GLN A 75 -10.871 1.660 -5.754 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.396 0.057 -3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.381 -0.805 -5.890 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.572 -1.873 -4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.673 -0.597 -2.875 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.579 0.301 -4.077 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.843 -1.062 -5.701 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.656 -2.494 -5.060 1.00 0.00 H new ATOM 1127 N LEU A 76 -7.696 -0.842 -5.339 1.00 0.00 N ATOM 1128 CA LEU A 76 -6.590 -1.191 -6.223 1.00 0.00 C ATOM 1129 C LEU A 76 -6.107 -2.613 -5.956 1.00 0.00 C ATOM 1130 O LEU A 76 -6.099 -3.074 -4.813 1.00 0.00 O ATOM 1131 CB LEU A 76 -5.434 -0.206 -6.041 1.00 0.00 C ATOM 1132 CG LEU A 76 -4.116 -0.584 -6.717 1.00 0.00 C ATOM 1133 CD1 LEU A 76 -4.307 -0.724 -8.219 1.00 0.00 C ATOM 1134 CD2 LEU A 76 -3.042 0.448 -6.408 1.00 0.00 C ATOM 0 H LEU A 76 -7.588 -1.169 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.948 -1.135 -7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.748 0.766 -6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.250 -0.086 -4.973 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.791 -1.546 -6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.358 -0.993 -8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.043 -1.502 -8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.657 0.223 -8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.111 0.162 -6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.360 1.424 -6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.885 0.498 -5.331 1.00 0.00 H new ATOM 1146 N THR A 77 -5.704 -3.305 -7.016 1.00 0.00 N ATOM 1147 CA THR A 77 -5.218 -4.675 -6.896 1.00 0.00 C ATOM 1148 C THR A 77 -3.721 -4.753 -7.169 1.00 0.00 C ATOM 1149 O THR A 77 -3.261 -4.431 -8.264 1.00 0.00 O ATOM 1150 CB THR A 77 -5.955 -5.619 -7.865 1.00 0.00 C ATOM 1151 OG1 THR A 77 -7.370 -5.426 -7.756 1.00 0.00 O ATOM 1152 CG2 THR A 77 -5.611 -7.071 -7.571 1.00 0.00 C ATOM 0 H THR A 77 -5.704 -2.940 -7.968 1.00 0.00 H new ATOM 0 HA THR A 77 -5.415 -4.992 -5.872 1.00 0.00 H new ATOM 0 HB THR A 77 -5.635 -5.385 -8.880 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.831 -6.028 -8.376 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.143 -7.719 -8.268 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.537 -7.221 -7.684 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.906 -7.315 -6.551 1.00 0.00 H new ATOM 1160 N VAL A 78 -2.963 -5.184 -6.165 1.00 0.00 N ATOM 1161 CA VAL A 78 -1.516 -5.306 -6.297 1.00 0.00 C ATOM 1162 C VAL A 78 -1.110 -6.749 -6.576 1.00 0.00 C ATOM 1163 O VAL A 78 -1.380 -7.646 -5.779 1.00 0.00 O ATOM 1164 CB VAL A 78 -0.793 -4.817 -5.028 1.00 0.00 C ATOM 1165 CG1 VAL A 78 0.708 -5.026 -5.155 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -1.115 -3.354 -4.762 1.00 0.00 C ATOM 0 H VAL A 78 -3.327 -5.454 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.221 -4.679 -7.138 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.147 -5.403 -4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.202 -4.675 -4.249 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.917 -6.087 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.082 -4.467 -6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.596 -3.025 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.790 -2.750 -5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.190 -3.237 -4.624 1.00 0.00 H new ATOM 1176 N GLY A 79 -0.458 -6.965 -7.715 1.00 0.00 N ATOM 1177 CA GLY A 79 -0.025 -8.301 -8.079 1.00 0.00 C ATOM 1178 C GLY A 79 1.466 -8.499 -7.890 1.00 0.00 C ATOM 1179 O GLY A 79 2.112 -7.743 -7.165 1.00 0.00 O ATOM 0 H GLY A 79 -0.222 -6.239 -8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.565 -9.031 -7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.285 -8.493 -9.120 1.00 0.00 H new ATOM 1183 N ASN A 80 2.014 -9.518 -8.543 1.00 0.00 N ATOM 1184 CA ASN A 80 3.439 -9.814 -8.442 1.00 0.00 C ATOM 1185 C ASN A 80 3.841 -10.059 -6.991 1.00 0.00 C ATOM 1186 O ASN A 80 4.803 -9.472 -6.494 1.00 0.00 O ATOM 1187 CB ASN A 80 4.262 -8.664 -9.024 1.00 0.00 C ATOM 1188 CG ASN A 80 4.387 -8.749 -10.533 1.00 0.00 C ATOM 1189 OD1 ASN A 80 4.987 -9.683 -11.066 1.00 0.00 O ATOM 1190 ND2 ASN A 80 3.820 -7.771 -11.230 1.00 0.00 N ATOM 0 H ASN A 80 1.493 -10.153 -9.148 1.00 0.00 H new ATOM 0 HA ASN A 80 3.639 -10.720 -9.014 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.798 -7.715 -8.753 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.257 -8.671 -8.579 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.872 -7.774 -12.249 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.333 -7.016 -10.747 1.00 0.00 H new ATOM 1197 N LEU A 81 3.099 -10.930 -6.315 1.00 0.00 N ATOM 1198 CA LEU A 81 3.378 -11.253 -4.921 1.00 0.00 C ATOM 1199 C LEU A 81 3.715 -12.732 -4.762 1.00 0.00 C ATOM 1200 O LEU A 81 3.488 -13.533 -5.669 1.00 0.00 O ATOM 1201 CB LEU A 81 2.178 -10.895 -4.043 1.00 0.00 C ATOM 1202 CG LEU A 81 1.644 -9.469 -4.185 1.00 0.00 C ATOM 1203 CD1 LEU A 81 0.253 -9.357 -3.581 1.00 0.00 C ATOM 1204 CD2 LEU A 81 2.594 -8.477 -3.529 1.00 0.00 C ATOM 0 H LEU A 81 2.300 -11.425 -6.710 1.00 0.00 H new ATOM 0 HA LEU A 81 4.240 -10.666 -4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.368 -11.589 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.455 -11.056 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 81 1.577 -9.230 -5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.110 -8.335 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.423 -10.040 -4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.294 -9.615 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.199 -7.467 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.693 -8.714 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.571 -8.538 -4.008 1.00 0.00 H new ATOM 1216 N LYS A 82 4.257 -13.089 -3.602 1.00 0.00 N ATOM 1217 CA LYS A 82 4.622 -14.473 -3.321 1.00 0.00 C ATOM 1218 C LYS A 82 3.731 -15.060 -2.231 1.00 0.00 C ATOM 1219 O LYS A 82 3.407 -14.404 -1.241 1.00 0.00 O ATOM 1220 CB LYS A 82 6.090 -14.558 -2.897 1.00 0.00 C ATOM 1221 CG LYS A 82 6.671 -15.958 -2.994 1.00 0.00 C ATOM 1222 CD LYS A 82 8.151 -15.972 -2.652 1.00 0.00 C ATOM 1223 CE LYS A 82 8.641 -17.381 -2.354 1.00 0.00 C ATOM 1224 NZ LYS A 82 8.705 -18.218 -3.585 1.00 0.00 N ATOM 0 H LYS A 82 4.453 -12.439 -2.841 1.00 0.00 H new ATOM 0 HA LYS A 82 4.480 -15.053 -4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.679 -13.885 -3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.184 -14.205 -1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.134 -16.623 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.526 -16.344 -4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.721 -15.555 -3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.332 -15.332 -1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.629 -17.333 -1.896 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.976 -17.851 -1.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.043 -19.170 -3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.758 -18.285 -4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.359 -17.783 -4.267 1.00 0.00 H new ATOM 1238 N PRO A 83 3.327 -16.326 -2.414 1.00 0.00 N ATOM 1239 CA PRO A 83 2.471 -17.030 -1.455 1.00 0.00 C ATOM 1240 C PRO A 83 3.197 -17.347 -0.153 1.00 0.00 C ATOM 1241 O PRO A 83 4.421 -17.468 -0.128 1.00 0.00 O ATOM 1242 CB PRO A 83 2.102 -18.321 -2.190 1.00 0.00 C ATOM 1243 CG PRO A 83 3.215 -18.538 -3.156 1.00 0.00 C ATOM 1244 CD PRO A 83 3.676 -17.168 -3.571 1.00 0.00 C ATOM 0 HA PRO A 83 1.610 -16.430 -1.161 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.010 -19.158 -1.498 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.145 -18.225 -2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.027 -19.100 -2.696 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.877 -19.114 -4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.747 -17.149 -3.774 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.174 -16.833 -4.478 1.00 0.00 H new ATOM 1252 N GLU A 84 2.434 -17.480 0.928 1.00 0.00 N ATOM 1253 CA GLU A 84 3.007 -17.782 2.234 1.00 0.00 C ATOM 1254 C GLU A 84 4.107 -16.786 2.590 1.00 0.00 C ATOM 1255 O GLU A 84 5.172 -17.168 3.074 1.00 0.00 O ATOM 1256 CB GLU A 84 3.568 -19.206 2.253 1.00 0.00 C ATOM 1257 CG GLU A 84 2.557 -20.253 2.690 1.00 0.00 C ATOM 1258 CD GLU A 84 3.209 -21.565 3.080 1.00 0.00 C ATOM 1259 OE1 GLU A 84 3.570 -21.718 4.266 1.00 0.00 O ATOM 1260 OE2 GLU A 84 3.357 -22.439 2.201 1.00 0.00 O ATOM 0 H GLU A 84 1.419 -17.383 0.925 1.00 0.00 H new ATOM 0 HA GLU A 84 2.214 -17.701 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.931 -19.458 1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.427 -19.240 2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.985 -19.870 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.849 -20.430 1.880 1.00 0.00 H new ATOM 1267 N ALA A 85 3.840 -15.507 2.346 1.00 0.00 N ATOM 1268 CA ALA A 85 4.805 -14.456 2.641 1.00 0.00 C ATOM 1269 C ALA A 85 4.109 -13.202 3.160 1.00 0.00 C ATOM 1270 O ALA A 85 3.057 -12.811 2.656 1.00 0.00 O ATOM 1271 CB ALA A 85 5.628 -14.131 1.403 1.00 0.00 C ATOM 0 H ALA A 85 2.963 -15.174 1.945 1.00 0.00 H new ATOM 0 HA ALA A 85 5.473 -14.819 3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.345 -13.344 1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.163 -15.023 1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.967 -13.793 0.605 1.00 0.00 H new ATOM 1277 N MET A 86 4.704 -12.576 4.171 1.00 0.00 N ATOM 1278 CA MET A 86 4.141 -11.365 4.757 1.00 0.00 C ATOM 1279 C MET A 86 4.504 -10.139 3.926 1.00 0.00 C ATOM 1280 O MET A 86 5.628 -10.019 3.438 1.00 0.00 O ATOM 1281 CB MET A 86 4.638 -11.189 6.193 1.00 0.00 C ATOM 1282 CG MET A 86 3.706 -10.360 7.062 1.00 0.00 C ATOM 1283 SD MET A 86 2.471 -11.363 7.909 1.00 0.00 S ATOM 1284 CE MET A 86 0.961 -10.708 7.204 1.00 0.00 C ATOM 0 H MET A 86 5.575 -12.887 4.601 1.00 0.00 H new ATOM 0 HA MET A 86 3.056 -11.466 4.766 1.00 0.00 H new ATOM 0 HB2 MET A 86 4.767 -12.172 6.647 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.620 -10.716 6.173 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.294 -9.814 7.800 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.203 -9.617 6.443 1.00 0.00 H new ATOM 0 HE1 MET A 86 0.136 -11.388 7.416 1.00 0.00 H new ATOM 0 HE2 MET A 86 0.749 -9.732 7.641 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.078 -10.605 6.125 1.00 0.00 H new ATOM 1294 N TYR A 87 3.548 -9.230 3.771 1.00 0.00 N ATOM 1295 CA TYR A 87 3.767 -8.014 2.997 1.00 0.00 C ATOM 1296 C TYR A 87 3.095 -6.817 3.662 1.00 0.00 C ATOM 1297 O TYR A 87 1.965 -6.911 4.144 1.00 0.00 O ATOM 1298 CB TYR A 87 3.234 -8.187 1.574 1.00 0.00 C ATOM 1299 CG TYR A 87 4.199 -8.891 0.647 1.00 0.00 C ATOM 1300 CD1 TYR A 87 4.496 -10.238 0.813 1.00 0.00 C ATOM 1301 CD2 TYR A 87 4.816 -8.208 -0.395 1.00 0.00 C ATOM 1302 CE1 TYR A 87 5.378 -10.885 -0.031 1.00 0.00 C ATOM 1303 CE2 TYR A 87 5.698 -8.847 -1.244 1.00 0.00 C ATOM 1304 CZ TYR A 87 5.976 -10.186 -1.058 1.00 0.00 C ATOM 1305 OH TYR A 87 6.855 -10.826 -1.902 1.00 0.00 O ATOM 0 H TYR A 87 2.613 -9.312 4.171 1.00 0.00 H new ATOM 0 HA TYR A 87 4.840 -7.828 2.955 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.302 -8.751 1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.998 -7.206 1.162 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.029 -10.789 1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.602 -7.160 -0.543 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.598 -11.933 0.113 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.168 -8.302 -2.049 1.00 0.00 H new ATOM 0 HH TYR A 87 7.186 -10.192 -2.571 1.00 0.00 H new ATOM 1315 N THR A 88 3.798 -5.689 3.684 1.00 0.00 N ATOM 1316 CA THR A 88 3.272 -4.472 4.289 1.00 0.00 C ATOM 1317 C THR A 88 2.734 -3.518 3.228 1.00 0.00 C ATOM 1318 O THR A 88 3.477 -3.055 2.362 1.00 0.00 O ATOM 1319 CB THR A 88 4.348 -3.746 5.118 1.00 0.00 C ATOM 1320 OG1 THR A 88 4.945 -4.655 6.050 1.00 0.00 O ATOM 1321 CG2 THR A 88 3.750 -2.564 5.866 1.00 0.00 C ATOM 0 H THR A 88 4.734 -5.593 3.289 1.00 0.00 H new ATOM 0 HA THR A 88 2.458 -4.774 4.948 1.00 0.00 H new ATOM 0 HB THR A 88 5.111 -3.374 4.435 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.846 -4.344 6.278 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.529 -2.067 6.444 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.323 -1.860 5.152 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.968 -2.917 6.539 1.00 0.00 H new ATOM 1329 N PHE A 89 1.440 -3.228 3.302 1.00 0.00 N ATOM 1330 CA PHE A 89 0.803 -2.328 2.347 1.00 0.00 C ATOM 1331 C PHE A 89 0.540 -0.964 2.978 1.00 0.00 C ATOM 1332 O PHE A 89 0.320 -0.857 4.184 1.00 0.00 O ATOM 1333 CB PHE A 89 -0.511 -2.932 1.844 1.00 0.00 C ATOM 1334 CG PHE A 89 -0.327 -4.207 1.073 1.00 0.00 C ATOM 1335 CD1 PHE A 89 0.175 -5.340 1.692 1.00 0.00 C ATOM 1336 CD2 PHE A 89 -0.658 -4.274 -0.271 1.00 0.00 C ATOM 1337 CE1 PHE A 89 0.346 -6.515 0.984 1.00 0.00 C ATOM 1338 CE2 PHE A 89 -0.490 -5.446 -0.984 1.00 0.00 C ATOM 1339 CZ PHE A 89 0.011 -6.569 -0.355 1.00 0.00 C ATOM 0 H PHE A 89 0.812 -3.603 4.013 1.00 0.00 H new ATOM 0 HA PHE A 89 1.480 -2.194 1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.164 -3.123 2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.018 -2.204 1.211 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.436 -5.305 2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.052 -3.400 -0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.741 -7.390 1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.750 -5.484 -2.032 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.141 -7.487 -0.909 1.00 0.00 H new ATOM 1349 N ARG A 90 0.565 0.077 2.152 1.00 0.00 N ATOM 1350 CA ARG A 90 0.332 1.436 2.627 1.00 0.00 C ATOM 1351 C ARG A 90 -0.318 2.288 1.541 1.00 0.00 C ATOM 1352 O ARG A 90 0.204 2.402 0.432 1.00 0.00 O ATOM 1353 CB ARG A 90 1.647 2.076 3.074 1.00 0.00 C ATOM 1354 CG ARG A 90 2.334 1.329 4.206 1.00 0.00 C ATOM 1355 CD ARG A 90 3.429 2.169 4.844 1.00 0.00 C ATOM 1356 NE ARG A 90 2.892 3.130 5.804 1.00 0.00 N ATOM 1357 CZ ARG A 90 3.647 3.840 6.634 1.00 0.00 C ATOM 1358 NH1 ARG A 90 4.965 3.697 6.623 1.00 0.00 N ATOM 1359 NH2 ARG A 90 3.084 4.695 7.479 1.00 0.00 N ATOM 0 H ARG A 90 0.744 0.005 1.150 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.346 1.385 3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.324 2.129 2.221 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.453 3.101 3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.598 1.054 4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.761 0.401 3.825 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.142 1.515 5.346 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.977 2.701 4.067 1.00 0.00 H new ATOM 0 HE ARG A 90 1.881 3.263 5.839 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.401 3.040 5.976 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.543 4.244 7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.070 4.807 7.491 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.665 5.240 8.116 1.00 0.00 H new ATOM 1373 N VAL A 91 -1.460 2.885 1.868 1.00 0.00 N ATOM 1374 CA VAL A 91 -2.180 3.727 0.920 1.00 0.00 C ATOM 1375 C VAL A 91 -1.850 5.200 1.133 1.00 0.00 C ATOM 1376 O VAL A 91 -1.690 5.654 2.266 1.00 0.00 O ATOM 1377 CB VAL A 91 -3.703 3.531 1.041 1.00 0.00 C ATOM 1378 CG1 VAL A 91 -4.439 4.467 0.094 1.00 0.00 C ATOM 1379 CG2 VAL A 91 -4.077 2.082 0.768 1.00 0.00 C ATOM 0 H VAL A 91 -1.906 2.801 2.781 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.860 3.427 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.003 3.774 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.514 4.314 0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.195 5.500 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.136 4.258 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.157 1.962 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.764 1.809 -0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.579 1.435 1.490 1.00 0.00 H new ATOM 1389 N VAL A 92 -1.751 5.943 0.036 1.00 0.00 N ATOM 1390 CA VAL A 92 -1.441 7.366 0.102 1.00 0.00 C ATOM 1391 C VAL A 92 -2.170 8.138 -0.992 1.00 0.00 C ATOM 1392 O VAL A 92 -2.286 7.671 -2.125 1.00 0.00 O ATOM 1393 CB VAL A 92 0.073 7.618 -0.030 1.00 0.00 C ATOM 1394 CG1 VAL A 92 0.371 9.110 -0.002 1.00 0.00 C ATOM 1395 CG2 VAL A 92 0.830 6.895 1.073 1.00 0.00 C ATOM 0 H VAL A 92 -1.881 5.583 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.777 7.718 1.077 1.00 0.00 H new ATOM 0 HB VAL A 92 0.407 7.223 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.445 9.268 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.142 9.599 -0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.023 9.533 0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.898 7.083 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.494 7.259 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.642 5.824 1.002 1.00 0.00 H new ATOM 1405 N ALA A 93 -2.660 9.324 -0.646 1.00 0.00 N ATOM 1406 CA ALA A 93 -3.376 10.163 -1.599 1.00 0.00 C ATOM 1407 C ALA A 93 -2.446 11.192 -2.231 1.00 0.00 C ATOM 1408 O ALA A 93 -1.756 11.933 -1.531 1.00 0.00 O ATOM 1409 CB ALA A 93 -4.547 10.856 -0.917 1.00 0.00 C ATOM 0 H ALA A 93 -2.574 9.725 0.288 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.760 9.522 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.073 11.479 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.231 10.107 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.177 11.479 -0.103 1.00 0.00 H new ATOM 1415 N TYR A 94 -2.431 11.232 -3.559 1.00 0.00 N ATOM 1416 CA TYR A 94 -1.582 12.169 -4.286 1.00 0.00 C ATOM 1417 C TYR A 94 -2.424 13.146 -5.102 1.00 0.00 C ATOM 1418 O TYR A 94 -2.943 12.800 -6.162 1.00 0.00 O ATOM 1419 CB TYR A 94 -0.624 11.412 -5.206 1.00 0.00 C ATOM 1420 CG TYR A 94 0.675 11.020 -4.538 1.00 0.00 C ATOM 1421 CD1 TYR A 94 0.785 9.826 -3.836 1.00 0.00 C ATOM 1422 CD2 TYR A 94 1.791 11.845 -4.607 1.00 0.00 C ATOM 1423 CE1 TYR A 94 1.969 9.465 -3.223 1.00 0.00 C ATOM 1424 CE2 TYR A 94 2.980 11.490 -3.998 1.00 0.00 C ATOM 1425 CZ TYR A 94 3.063 10.300 -3.307 1.00 0.00 C ATOM 1426 OH TYR A 94 4.245 9.944 -2.698 1.00 0.00 O ATOM 0 H TYR A 94 -2.997 10.627 -4.154 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.003 12.737 -3.558 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.120 10.513 -5.573 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.403 12.031 -6.075 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.070 9.169 -3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.728 12.779 -5.145 1.00 0.00 H new ATOM 0 HE1 TYR A 94 2.037 8.534 -2.681 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.839 12.141 -4.063 1.00 0.00 H new ATOM 0 HH TYR A 94 4.916 10.641 -2.854 1.00 0.00 H new ATOM 1436 N ASN A 95 -2.553 14.369 -4.599 1.00 0.00 N ATOM 1437 CA ASN A 95 -3.331 15.398 -5.280 1.00 0.00 C ATOM 1438 C ASN A 95 -2.418 16.474 -5.861 1.00 0.00 C ATOM 1439 O ASN A 95 -1.196 16.397 -5.738 1.00 0.00 O ATOM 1440 CB ASN A 95 -4.334 16.031 -4.314 1.00 0.00 C ATOM 1441 CG ASN A 95 -3.758 17.230 -3.585 1.00 0.00 C ATOM 1442 OD1 ASN A 95 -3.861 18.363 -4.054 1.00 0.00 O ATOM 1443 ND2 ASN A 95 -3.148 16.984 -2.432 1.00 0.00 N ATOM 0 H ASN A 95 -2.129 14.672 -3.722 1.00 0.00 H new ATOM 0 HA ASN A 95 -3.874 14.926 -6.099 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.222 16.338 -4.866 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.653 15.285 -3.586 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.741 17.751 -1.897 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.086 16.028 -2.081 1.00 0.00 H new ATOM 1450 N GLU A 96 -3.022 17.476 -6.493 1.00 0.00 N ATOM 1451 CA GLU A 96 -2.264 18.567 -7.093 1.00 0.00 C ATOM 1452 C GLU A 96 -1.059 18.931 -6.230 1.00 0.00 C ATOM 1453 O GLU A 96 0.078 18.937 -6.703 1.00 0.00 O ATOM 1454 CB GLU A 96 -3.157 19.794 -7.283 1.00 0.00 C ATOM 1455 CG GLU A 96 -4.227 19.609 -8.346 1.00 0.00 C ATOM 1456 CD GLU A 96 -4.889 20.915 -8.742 1.00 0.00 C ATOM 1457 OE1 GLU A 96 -4.190 21.949 -8.771 1.00 0.00 O ATOM 1458 OE2 GLU A 96 -6.106 20.901 -9.023 1.00 0.00 O ATOM 0 H GLU A 96 -4.033 17.554 -6.602 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.905 18.233 -8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.637 20.034 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.535 20.648 -7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -3.781 19.150 -9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.986 18.919 -7.976 1.00 0.00 H new ATOM 1465 N TRP A 97 -1.316 19.233 -4.963 1.00 0.00 N ATOM 1466 CA TRP A 97 -0.253 19.599 -4.033 1.00 0.00 C ATOM 1467 C TRP A 97 0.777 18.481 -3.918 1.00 0.00 C ATOM 1468 O TRP A 97 1.932 18.644 -4.311 1.00 0.00 O ATOM 1469 CB TRP A 97 -0.838 19.915 -2.656 1.00 0.00 C ATOM 1470 CG TRP A 97 -1.879 20.992 -2.686 1.00 0.00 C ATOM 1471 CD1 TRP A 97 -3.173 20.893 -2.262 1.00 0.00 C ATOM 1472 CD2 TRP A 97 -1.713 22.331 -3.166 1.00 0.00 C ATOM 1473 NE1 TRP A 97 -3.823 22.089 -2.451 1.00 0.00 N ATOM 1474 CE2 TRP A 97 -2.949 22.988 -3.003 1.00 0.00 C ATOM 1475 CE3 TRP A 97 -0.641 23.039 -3.716 1.00 0.00 C ATOM 1476 CZ2 TRP A 97 -3.139 24.317 -3.371 1.00 0.00 C ATOM 1477 CZ3 TRP A 97 -0.832 24.358 -4.082 1.00 0.00 C ATOM 1478 CH2 TRP A 97 -2.072 24.986 -3.908 1.00 0.00 C ATOM 0 H TRP A 97 -2.251 19.232 -4.555 1.00 0.00 H new ATOM 0 HA TRP A 97 0.245 20.488 -4.420 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.276 19.008 -2.238 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.032 20.217 -1.987 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -3.620 20.005 -1.840 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -4.798 22.277 -2.218 1.00 0.00 H new ATOM 0 HE3 TRP A 97 0.319 22.564 -3.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -4.094 24.803 -3.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -0.011 24.914 -4.510 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.189 26.018 -4.203 1.00 0.00 H new ATOM 1489 N GLY A 98 0.352 17.344 -3.376 1.00 0.00 N ATOM 1490 CA GLY A 98 1.251 16.215 -3.218 1.00 0.00 C ATOM 1491 C GLY A 98 0.715 15.177 -2.253 1.00 0.00 C ATOM 1492 O GLY A 98 -0.481 15.124 -1.966 1.00 0.00 O ATOM 0 H GLY A 98 -0.599 17.184 -3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.420 15.750 -4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.218 16.572 -2.863 1.00 0.00 H new ATOM 1496 N PRO A 99 1.612 14.324 -1.736 1.00 0.00 N ATOM 1497 CA PRO A 99 1.245 13.266 -0.791 1.00 0.00 C ATOM 1498 C PRO A 99 0.840 13.819 0.571 1.00 0.00 C ATOM 1499 O PRO A 99 1.683 14.275 1.342 1.00 0.00 O ATOM 1500 CB PRO A 99 2.526 12.436 -0.672 1.00 0.00 C ATOM 1501 CG PRO A 99 3.624 13.385 -1.012 1.00 0.00 C ATOM 1502 CD PRO A 99 3.054 14.329 -2.034 1.00 0.00 C ATOM 0 HA PRO A 99 0.382 12.696 -1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.646 12.035 0.335 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.512 11.586 -1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.961 13.925 -0.127 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.489 12.855 -1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.480 15.328 -1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.256 13.990 -3.050 1.00 0.00 H new ATOM 1510 N GLY A 100 -0.457 13.776 0.861 1.00 0.00 N ATOM 1511 CA GLY A 100 -0.950 14.277 2.130 1.00 0.00 C ATOM 1512 C GLY A 100 -0.511 13.420 3.301 1.00 0.00 C ATOM 1513 O GLY A 100 0.682 13.199 3.504 1.00 0.00 O ATOM 0 H GLY A 100 -1.175 13.403 0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.595 15.297 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.039 14.319 2.102 1.00 0.00 H new ATOM 1517 N GLU A 101 -1.479 12.937 4.075 1.00 0.00 N ATOM 1518 CA GLU A 101 -1.185 12.102 5.233 1.00 0.00 C ATOM 1519 C GLU A 101 -1.034 10.639 4.825 1.00 0.00 C ATOM 1520 O GLU A 101 -1.603 10.201 3.825 1.00 0.00 O ATOM 1521 CB GLU A 101 -2.290 12.239 6.283 1.00 0.00 C ATOM 1522 CG GLU A 101 -2.015 13.316 7.318 1.00 0.00 C ATOM 1523 CD GLU A 101 -1.281 12.783 8.533 1.00 0.00 C ATOM 1524 OE1 GLU A 101 -1.954 12.319 9.477 1.00 0.00 O ATOM 1525 OE2 GLU A 101 -0.033 12.832 8.541 1.00 0.00 O ATOM 0 H GLU A 101 -2.472 13.110 3.921 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.242 12.441 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.231 12.461 5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.418 11.283 6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.425 14.111 6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.959 13.760 7.634 1.00 0.00 H new ATOM 1532 N SER A 102 -0.264 9.889 5.607 1.00 0.00 N ATOM 1533 CA SER A 102 -0.034 8.477 5.325 1.00 0.00 C ATOM 1534 C SER A 102 -0.871 7.596 6.247 1.00 0.00 C ATOM 1535 O SER A 102 -0.897 7.797 7.461 1.00 0.00 O ATOM 1536 CB SER A 102 1.449 8.138 5.485 1.00 0.00 C ATOM 1537 OG SER A 102 1.902 8.434 6.795 1.00 0.00 O ATOM 0 H SER A 102 0.211 10.236 6.441 1.00 0.00 H new ATOM 0 HA SER A 102 -0.334 8.284 4.295 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.609 7.081 5.272 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.034 8.702 4.758 1.00 0.00 H new ATOM 0 HG SER A 102 1.151 8.376 7.422 1.00 0.00 H new ATOM 1543 N SER A 103 -1.555 6.618 5.661 1.00 0.00 N ATOM 1544 CA SER A 103 -2.396 5.708 6.429 1.00 0.00 C ATOM 1545 C SER A 103 -1.546 4.718 7.220 1.00 0.00 C ATOM 1546 O SER A 103 -0.373 4.508 6.912 1.00 0.00 O ATOM 1547 CB SER A 103 -3.347 4.951 5.499 1.00 0.00 C ATOM 1548 OG SER A 103 -2.631 4.099 4.622 1.00 0.00 O ATOM 0 H SER A 103 -1.543 6.436 4.657 1.00 0.00 H new ATOM 0 HA SER A 103 -2.981 6.301 7.132 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.048 4.363 6.091 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.937 5.662 4.920 1.00 0.00 H new ATOM 0 HG SER A 103 -2.337 4.609 3.838 1.00 0.00 H new ATOM 1554 N GLN A 104 -2.147 4.114 8.239 1.00 0.00 N ATOM 1555 CA GLN A 104 -1.446 3.146 9.075 1.00 0.00 C ATOM 1556 C GLN A 104 -1.045 1.917 8.266 1.00 0.00 C ATOM 1557 O GLN A 104 -1.815 1.397 7.459 1.00 0.00 O ATOM 1558 CB GLN A 104 -2.323 2.730 10.257 1.00 0.00 C ATOM 1559 CG GLN A 104 -1.532 2.338 11.494 1.00 0.00 C ATOM 1560 CD GLN A 104 -2.370 2.368 12.757 1.00 0.00 C ATOM 1561 OE1 GLN A 104 -3.126 1.438 13.036 1.00 0.00 O ATOM 1562 NE2 GLN A 104 -2.241 3.441 13.528 1.00 0.00 N ATOM 0 H GLN A 104 -3.118 4.277 8.506 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.541 3.620 9.454 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -2.992 3.553 10.509 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -2.950 1.891 9.956 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.124 1.337 11.357 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.685 3.015 11.608 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.602 4.189 13.258 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.781 3.517 14.390 1.00 0.00 H new ATOM 1571 N PRO A 105 0.190 1.442 8.484 1.00 0.00 N ATOM 1572 CA PRO A 105 0.721 0.268 7.785 1.00 0.00 C ATOM 1573 C PRO A 105 0.040 -1.025 8.221 1.00 0.00 C ATOM 1574 O PRO A 105 0.000 -1.345 9.410 1.00 0.00 O ATOM 1575 CB PRO A 105 2.199 0.255 8.185 1.00 0.00 C ATOM 1576 CG PRO A 105 2.244 0.969 9.492 1.00 0.00 C ATOM 1577 CD PRO A 105 1.163 2.013 9.431 1.00 0.00 C ATOM 0 HA PRO A 105 0.557 0.326 6.709 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.575 -0.764 8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.816 0.756 7.439 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.075 0.280 10.319 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.220 1.427 9.653 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.716 2.187 10.410 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.549 2.971 9.082 1.00 0.00 H new ATOM 1585 N ILE A 106 -0.493 -1.763 7.254 1.00 0.00 N ATOM 1586 CA ILE A 106 -1.171 -3.021 7.540 1.00 0.00 C ATOM 1587 C ILE A 106 -0.334 -4.212 7.085 1.00 0.00 C ATOM 1588 O ILE A 106 0.480 -4.100 6.168 1.00 0.00 O ATOM 1589 CB ILE A 106 -2.549 -3.086 6.855 1.00 0.00 C ATOM 1590 CG1 ILE A 106 -2.387 -3.098 5.334 1.00 0.00 C ATOM 1591 CG2 ILE A 106 -3.413 -1.913 7.292 1.00 0.00 C ATOM 1592 CD1 ILE A 106 -3.575 -3.686 4.604 1.00 0.00 C ATOM 0 H ILE A 106 -0.469 -1.512 6.266 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.308 -3.067 8.620 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.045 -4.009 7.156 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.226 -2.078 4.986 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.494 -3.668 5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.384 -1.973 6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.552 -1.946 8.373 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.924 -0.979 7.017 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.390 -3.662 3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.724 -4.717 4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.467 -3.103 4.832 1.00 0.00 H new ATOM 1604 N LYS A 107 -0.539 -5.354 7.733 1.00 0.00 N ATOM 1605 CA LYS A 107 0.194 -6.568 7.395 1.00 0.00 C ATOM 1606 C LYS A 107 -0.756 -7.662 6.917 1.00 0.00 C ATOM 1607 O LYS A 107 -1.536 -8.206 7.700 1.00 0.00 O ATOM 1608 CB LYS A 107 0.990 -7.062 8.605 1.00 0.00 C ATOM 1609 CG LYS A 107 2.327 -6.363 8.779 1.00 0.00 C ATOM 1610 CD LYS A 107 3.127 -6.968 9.921 1.00 0.00 C ATOM 1611 CE LYS A 107 4.624 -6.848 9.676 1.00 0.00 C ATOM 1612 NZ LYS A 107 5.144 -5.507 10.063 1.00 0.00 N ATOM 0 H LYS A 107 -1.207 -5.464 8.496 1.00 0.00 H new ATOM 0 HA LYS A 107 0.885 -6.332 6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.394 -6.917 9.506 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.160 -8.134 8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.899 -6.435 7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.162 -5.303 8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.868 -6.467 10.854 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.859 -8.018 10.038 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.148 -7.618 10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.835 -7.029 8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.792 -5.161 9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.350 -4.843 10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.653 -5.580 10.967 1.00 0.00 H new ATOM 1626 N VAL A 108 -0.685 -7.981 5.629 1.00 0.00 N ATOM 1627 CA VAL A 108 -1.537 -9.012 5.048 1.00 0.00 C ATOM 1628 C VAL A 108 -0.711 -10.196 4.559 1.00 0.00 C ATOM 1629 O VAL A 108 0.229 -10.031 3.782 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.367 -8.459 3.874 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -3.274 -9.539 3.306 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.177 -7.250 4.318 1.00 0.00 C ATOM 0 H VAL A 108 -0.046 -7.540 4.967 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.213 -9.345 5.836 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.684 -8.141 3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.852 -9.130 2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.668 -10.372 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.952 -9.890 4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.757 -6.872 3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.852 -7.540 5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.503 -6.471 4.673 1.00 0.00 H new ATOM 1642 N ALA A 109 -1.068 -11.390 5.019 1.00 0.00 N ATOM 1643 CA ALA A 109 -0.362 -12.603 4.627 1.00 0.00 C ATOM 1644 C ALA A 109 -1.069 -13.300 3.469 1.00 0.00 C ATOM 1645 O ALA A 109 -2.190 -13.787 3.614 1.00 0.00 O ATOM 1646 CB ALA A 109 -0.234 -13.547 5.813 1.00 0.00 C ATOM 0 H ALA A 109 -1.843 -11.543 5.664 1.00 0.00 H new ATOM 0 HA ALA A 109 0.636 -12.320 4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.295 -14.449 5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.321 -13.055 6.611 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.227 -13.815 6.174 1.00 0.00 H new ATOM 1652 N THR A 110 -0.406 -13.344 2.317 1.00 0.00 N ATOM 1653 CA THR A 110 -0.971 -13.979 1.133 1.00 0.00 C ATOM 1654 C THR A 110 -1.517 -15.364 1.460 1.00 0.00 C ATOM 1655 O THR A 110 -1.325 -15.871 2.565 1.00 0.00 O ATOM 1656 CB THR A 110 0.074 -14.103 0.009 1.00 0.00 C ATOM 1657 OG1 THR A 110 1.315 -14.577 0.544 1.00 0.00 O ATOM 1658 CG2 THR A 110 0.292 -12.764 -0.679 1.00 0.00 C ATOM 0 H THR A 110 0.523 -12.947 2.179 1.00 0.00 H new ATOM 0 HA THR A 110 -1.786 -13.342 0.791 1.00 0.00 H new ATOM 0 HB THR A 110 -0.300 -14.815 -0.727 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.003 -14.552 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.034 -12.877 -1.469 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.648 -12.420 -1.111 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.646 -12.034 0.049 1.00 0.00 H new ATOM 1666 N GLN A 111 -2.197 -15.971 0.493 1.00 0.00 N ATOM 1667 CA GLN A 111 -2.770 -17.298 0.679 1.00 0.00 C ATOM 1668 C GLN A 111 -1.731 -18.382 0.411 1.00 0.00 C ATOM 1669 O GLN A 111 -0.788 -18.196 -0.358 1.00 0.00 O ATOM 1670 CB GLN A 111 -3.975 -17.491 -0.243 1.00 0.00 C ATOM 1671 CG GLN A 111 -5.050 -16.430 -0.070 1.00 0.00 C ATOM 1672 CD GLN A 111 -6.409 -16.891 -0.556 1.00 0.00 C ATOM 1673 OE1 GLN A 111 -6.847 -18.001 -0.250 1.00 0.00 O ATOM 1674 NE2 GLN A 111 -7.086 -16.040 -1.318 1.00 0.00 N ATOM 0 H GLN A 111 -2.364 -15.565 -0.427 1.00 0.00 H new ATOM 0 HA GLN A 111 -3.098 -17.382 1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -3.634 -17.486 -1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.411 -18.472 -0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -5.119 -16.156 0.983 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -4.759 -15.532 -0.615 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -6.685 -15.130 -1.547 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.007 -16.296 -1.674 1.00 0.00 H new ATOM 1683 N PRO A 112 -1.905 -19.543 1.061 1.00 0.00 N ATOM 1684 CA PRO A 112 -0.993 -20.680 0.909 1.00 0.00 C ATOM 1685 C PRO A 112 -1.094 -21.324 -0.470 1.00 0.00 C ATOM 1686 O PRO A 112 -0.496 -22.370 -0.721 1.00 0.00 O ATOM 1687 CB PRO A 112 -1.460 -21.657 1.990 1.00 0.00 C ATOM 1688 CG PRO A 112 -2.893 -21.318 2.214 1.00 0.00 C ATOM 1689 CD PRO A 112 -3.007 -19.835 1.993 1.00 0.00 C ATOM 0 HA PRO A 112 0.051 -20.381 1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.344 -22.691 1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -0.879 -21.543 2.905 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.536 -21.866 1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -3.205 -21.587 3.223 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -3.974 -19.565 1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.902 -19.281 2.926 1.00 0.00 H new