USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 832 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 Single : A 25 SER OG : rot 180:sc= -0.494 USER MOD Single : A 28 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.39) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= -0.0136 (180deg=-0.229) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 44 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-2.9!) USER MOD Single : A 52 GLN : amide:sc= -1.2 K(o=-1.2,f=-4!) USER MOD Single : A 53 CYS SG : rot -47:sc= 0.278 USER MOD Single : A 55 GLN : amide:sc= -0.773 K(o=-0.77,f=0) USER MOD Single : A 56 MET CE :methyl -112:sc= -2.42! (180deg=-5.24!) USER MOD Single : A 57 ASN : amide:sc= -1.76! X(o=-1.8!,f=-1.5) USER MOD Single : A 60 MET CE :methyl 174:sc= -0.174 (180deg=-0.209) USER MOD Single : A 65 LYS NZ :NH3+ 170:sc=-0.00226 (180deg=-0.0864) USER MOD Single : A 69 GLN : amide:sc= -1.02 K(o=-1,f=-1.6) USER MOD Single : A 71 SER OG : rot -120:sc= -0.362 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 84:sc= 0.843 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 126:sc= 1.21 USER MOD Single : A 90 SER OG : rot -53:sc= 0.247 USER MOD Single : A 91 SER OG : rot 36:sc= 0.466 USER MOD Single : A 94 THR OG1 : rot 132:sc= 1.06 USER MOD Single : A 99 LYS NZ :NH3+ 140:sc= -0.352 (180deg=-1.32!) USER MOD Single : A 100 ASN : amide:sc= -0.734 K(o=-0.73,f=-5.4!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 103 LYS NZ :NH3+ -123:sc= -0.881 (180deg=-2.93!) USER MOD Single : A 111 HIS : no HD1:sc= -3.11 K(o=-3.1,f=-0.64) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -151:sc= -1.53 (180deg=-1.67) USER MOD Single : A 118 LYS NZ :NH3+ 166:sc= -0.0544 (180deg=-0.167) USER MOD Single : A 120 GLN : amide:sc= -2.98 K(o=-3,f=-6.4!) USER MOD Single : A 122 HIS : no HE2:sc= -3.28! C(o=-3.3!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 201 N VAL A 20 -1.252 2.702 -9.319 1.00 0.00 N ATOM 202 CA VAL A 20 -2.514 2.733 -8.590 1.00 0.00 C ATOM 203 C VAL A 20 -3.690 2.948 -9.535 1.00 0.00 C ATOM 204 O VAL A 20 -3.638 3.798 -10.423 1.00 0.00 O ATOM 205 CB VAL A 20 -2.518 3.844 -7.523 1.00 0.00 C ATOM 206 CG1 VAL A 20 -3.853 3.879 -6.793 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.371 3.646 -6.544 1.00 0.00 C ATOM 0 HA VAL A 20 -2.619 1.766 -8.098 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.379 4.803 -8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.837 4.670 -6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.653 4.072 -7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.026 2.920 -6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.389 4.440 -5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.477 2.680 -6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.424 3.676 -7.082 1.00 0.00 H new ATOM 217 N GLU A 21 -4.751 2.170 -9.338 1.00 0.00 N ATOM 218 CA GLU A 21 -5.941 2.276 -10.174 1.00 0.00 C ATOM 219 C GLU A 21 -6.902 3.324 -9.623 1.00 0.00 C ATOM 220 O GLU A 21 -6.958 3.556 -8.415 1.00 0.00 O ATOM 221 CB GLU A 21 -6.645 0.921 -10.270 1.00 0.00 C ATOM 222 CG GLU A 21 -6.120 0.039 -11.390 1.00 0.00 C ATOM 223 CD GLU A 21 -6.763 0.349 -12.727 1.00 0.00 C ATOM 224 OE1 GLU A 21 -7.934 0.784 -12.735 1.00 0.00 O ATOM 225 OE2 GLU A 21 -6.097 0.155 -13.766 1.00 0.00 O ATOM 0 H GLU A 21 -4.810 1.461 -8.608 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.627 2.586 -11.171 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.533 0.395 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.712 1.086 -10.419 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.041 0.166 -11.472 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.299 -1.006 -11.139 1.00 0.00 H new ATOM 232 N GLU A 22 -7.658 3.955 -10.517 1.00 0.00 N ATOM 233 CA GLU A 22 -8.616 4.979 -10.119 1.00 0.00 C ATOM 234 C GLU A 22 -10.044 4.445 -10.187 1.00 0.00 C ATOM 235 O GLU A 22 -10.559 4.153 -11.267 1.00 0.00 O ATOM 236 CB GLU A 22 -8.479 6.212 -11.015 1.00 0.00 C ATOM 237 CG GLU A 22 -9.483 7.308 -10.700 1.00 0.00 C ATOM 238 CD GLU A 22 -9.232 7.960 -9.354 1.00 0.00 C ATOM 239 OE1 GLU A 22 -8.200 8.650 -9.211 1.00 0.00 O ATOM 240 OE2 GLU A 22 -10.067 7.781 -8.443 1.00 0.00 O ATOM 0 H GLU A 22 -7.625 3.775 -11.520 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.400 5.261 -9.088 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.471 6.614 -10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.598 5.910 -12.055 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.443 8.068 -11.481 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.489 6.889 -10.715 1.00 0.00 H new ATOM 247 N VAL A 23 -10.678 4.318 -9.026 1.00 0.00 N ATOM 248 CA VAL A 23 -12.046 3.819 -8.952 1.00 0.00 C ATOM 249 C VAL A 23 -13.041 4.964 -8.808 1.00 0.00 C ATOM 250 O VAL A 23 -13.089 5.633 -7.776 1.00 0.00 O ATOM 251 CB VAL A 23 -12.225 2.845 -7.772 1.00 0.00 C ATOM 252 CG1 VAL A 23 -13.657 2.335 -7.714 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.242 1.689 -7.882 1.00 0.00 C ATOM 0 H VAL A 23 -10.266 4.554 -8.123 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.241 3.288 -9.884 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.018 3.381 -6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.765 1.648 -6.874 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.338 3.176 -7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.896 1.814 -8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.382 1.011 -7.040 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.415 1.151 -8.814 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.223 2.076 -7.870 1.00 0.00 H new ATOM 263 N GLY A 24 -13.837 5.184 -9.850 1.00 0.00 N ATOM 264 CA GLY A 24 -14.822 6.250 -9.819 1.00 0.00 C ATOM 265 C GLY A 24 -16.240 5.732 -9.956 1.00 0.00 C ATOM 266 O GLY A 24 -17.083 6.369 -10.588 1.00 0.00 O ATOM 0 H GLY A 24 -13.818 4.643 -10.715 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.728 6.800 -8.883 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.616 6.954 -10.625 1.00 0.00 H new ATOM 270 N SER A 25 -16.505 4.573 -9.363 1.00 0.00 N ATOM 271 CA SER A 25 -17.830 3.967 -9.425 1.00 0.00 C ATOM 272 C SER A 25 -17.900 2.721 -8.547 1.00 0.00 C ATOM 273 O SER A 25 -16.944 1.950 -8.467 1.00 0.00 O ATOM 274 CB SER A 25 -18.181 3.606 -10.870 1.00 0.00 C ATOM 275 OG SER A 25 -17.306 2.612 -11.374 1.00 0.00 O ATOM 0 H SER A 25 -15.819 4.034 -8.834 1.00 0.00 H new ATOM 0 HA SER A 25 -18.552 4.693 -9.053 1.00 0.00 H new ATOM 0 HB2 SER A 25 -19.210 3.248 -10.919 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.123 4.497 -11.495 1.00 0.00 H new ATOM 0 HG SER A 25 -17.552 2.398 -12.298 1.00 0.00 H new ATOM 281 N ALA A 26 -19.039 2.532 -7.889 1.00 0.00 N ATOM 282 CA ALA A 26 -19.236 1.380 -7.018 1.00 0.00 C ATOM 283 C ALA A 26 -19.044 0.075 -7.782 1.00 0.00 C ATOM 284 O ALA A 26 -18.370 -0.839 -7.309 1.00 0.00 O ATOM 285 CB ALA A 26 -20.620 1.426 -6.387 1.00 0.00 C ATOM 0 H ALA A 26 -19.839 3.162 -7.943 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.487 1.421 -6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.753 0.560 -5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.722 2.338 -5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.378 1.413 -7.170 1.00 0.00 H new ATOM 291 N GLY A 27 -19.642 -0.006 -8.967 1.00 0.00 N ATOM 292 CA GLY A 27 -19.525 -1.204 -9.777 1.00 0.00 C ATOM 293 C GLY A 27 -18.083 -1.619 -9.993 1.00 0.00 C ATOM 294 O GLY A 27 -17.745 -2.796 -9.868 1.00 0.00 O ATOM 0 H GLY A 27 -20.205 0.737 -9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.066 -2.019 -9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.999 -1.033 -10.743 1.00 0.00 H new ATOM 298 N GLN A 28 -17.233 -0.652 -10.320 1.00 0.00 N ATOM 299 CA GLN A 28 -15.820 -0.924 -10.556 1.00 0.00 C ATOM 300 C GLN A 28 -15.174 -1.554 -9.327 1.00 0.00 C ATOM 301 O GLN A 28 -14.556 -2.615 -9.413 1.00 0.00 O ATOM 302 CB GLN A 28 -15.086 0.365 -10.929 1.00 0.00 C ATOM 303 CG GLN A 28 -13.720 0.128 -11.553 1.00 0.00 C ATOM 304 CD GLN A 28 -13.012 1.419 -11.917 1.00 0.00 C ATOM 305 OE1 GLN A 28 -13.566 2.268 -12.616 1.00 0.00 O ATOM 306 NE2 GLN A 28 -11.782 1.573 -11.442 1.00 0.00 N ATOM 0 H GLN A 28 -17.498 0.327 -10.428 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.745 -1.629 -11.384 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.701 0.935 -11.626 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.967 0.977 -10.035 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.100 -0.438 -10.857 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.835 -0.484 -12.448 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.362 0.843 -10.867 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.257 2.422 -11.652 1.00 0.00 H new ATOM 315 N PHE A 29 -15.321 -0.894 -8.183 1.00 0.00 N ATOM 316 CA PHE A 29 -14.751 -1.388 -6.936 1.00 0.00 C ATOM 317 C PHE A 29 -15.354 -2.739 -6.560 1.00 0.00 C ATOM 318 O PHE A 29 -14.647 -3.742 -6.471 1.00 0.00 O ATOM 319 CB PHE A 29 -14.985 -0.381 -5.808 1.00 0.00 C ATOM 320 CG PHE A 29 -14.620 -0.906 -4.449 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.309 -1.243 -4.151 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.587 -1.064 -3.470 1.00 0.00 C ATOM 323 CE1 PHE A 29 -12.969 -1.726 -2.902 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.253 -1.547 -2.219 1.00 0.00 C ATOM 325 CZ PHE A 29 -13.943 -1.879 -1.935 1.00 0.00 C ATOM 0 H PHE A 29 -15.831 -0.015 -8.094 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.678 -1.516 -7.082 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.404 0.519 -6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.035 -0.088 -5.805 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.544 -1.127 -4.904 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.613 -0.807 -3.687 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.943 -1.983 -2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.016 -1.665 -1.464 1.00 0.00 H new ATOM 0 HZ PHE A 29 -13.681 -2.258 -0.958 1.00 0.00 H new ATOM 335 N GLU A 30 -16.665 -2.754 -6.340 1.00 0.00 N ATOM 336 CA GLU A 30 -17.363 -3.981 -5.972 1.00 0.00 C ATOM 337 C GLU A 30 -17.012 -5.114 -6.931 1.00 0.00 C ATOM 338 O GLU A 30 -16.889 -6.269 -6.524 1.00 0.00 O ATOM 339 CB GLU A 30 -18.875 -3.751 -5.967 1.00 0.00 C ATOM 340 CG GLU A 30 -19.387 -3.092 -4.697 1.00 0.00 C ATOM 341 CD GLU A 30 -19.652 -4.090 -3.587 1.00 0.00 C ATOM 342 OE1 GLU A 30 -20.639 -4.848 -3.693 1.00 0.00 O ATOM 343 OE2 GLU A 30 -18.871 -4.114 -2.612 1.00 0.00 O ATOM 0 H GLU A 30 -17.265 -1.932 -6.410 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.043 -4.265 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.142 -3.130 -6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.380 -4.708 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.658 -2.358 -4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -20.306 -2.549 -4.919 1.00 0.00 H new ATOM 350 N GLU A 31 -16.855 -4.775 -8.207 1.00 0.00 N ATOM 351 CA GLU A 31 -16.520 -5.765 -9.224 1.00 0.00 C ATOM 352 C GLU A 31 -15.108 -6.304 -9.015 1.00 0.00 C ATOM 353 O GLU A 31 -14.892 -7.517 -8.988 1.00 0.00 O ATOM 354 CB GLU A 31 -16.643 -5.154 -10.621 1.00 0.00 C ATOM 355 CG GLU A 31 -16.020 -6.005 -11.715 1.00 0.00 C ATOM 356 CD GLU A 31 -14.557 -5.681 -11.945 1.00 0.00 C ATOM 357 OE1 GLU A 31 -14.054 -4.730 -11.310 1.00 0.00 O ATOM 358 OE2 GLU A 31 -13.915 -6.376 -12.760 1.00 0.00 O ATOM 0 H GLU A 31 -16.954 -3.823 -8.561 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.223 -6.593 -9.134 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.698 -4.999 -10.849 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.169 -4.172 -10.622 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.118 -7.058 -11.451 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.571 -5.857 -12.644 1.00 0.00 H new ATOM 365 N LEU A 32 -14.150 -5.396 -8.867 1.00 0.00 N ATOM 366 CA LEU A 32 -12.758 -5.779 -8.661 1.00 0.00 C ATOM 367 C LEU A 32 -12.616 -6.678 -7.437 1.00 0.00 C ATOM 368 O LEU A 32 -11.924 -7.696 -7.477 1.00 0.00 O ATOM 369 CB LEU A 32 -11.884 -4.534 -8.497 1.00 0.00 C ATOM 370 CG LEU A 32 -10.379 -4.745 -8.660 1.00 0.00 C ATOM 371 CD1 LEU A 32 -9.983 -4.657 -10.126 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.606 -3.726 -7.835 1.00 0.00 C ATOM 0 H LEU A 32 -14.312 -4.389 -8.886 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.427 -6.335 -9.538 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.207 -3.789 -9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.067 -4.114 -7.508 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.130 -5.742 -8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.908 -4.810 -10.222 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.511 -5.425 -10.692 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.246 -3.674 -10.516 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.536 -3.891 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.861 -2.720 -8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.867 -3.837 -6.783 1.00 0.00 H new ATOM 384 N LEU A 33 -13.278 -6.297 -6.349 1.00 0.00 N ATOM 385 CA LEU A 33 -13.228 -7.069 -5.113 1.00 0.00 C ATOM 386 C LEU A 33 -13.184 -8.565 -5.407 1.00 0.00 C ATOM 387 O LEU A 33 -12.404 -9.304 -4.806 1.00 0.00 O ATOM 388 CB LEU A 33 -14.439 -6.745 -4.237 1.00 0.00 C ATOM 389 CG LEU A 33 -14.265 -5.589 -3.252 1.00 0.00 C ATOM 390 CD1 LEU A 33 -15.618 -5.026 -2.845 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.485 -6.045 -2.027 1.00 0.00 C ATOM 0 H LEU A 33 -13.856 -5.458 -6.299 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.318 -6.796 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.283 -6.517 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.704 -7.639 -3.673 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.699 -4.799 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.474 -4.204 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.141 -4.661 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.210 -5.809 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.371 -5.209 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.024 -6.853 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.501 -6.400 -2.334 1.00 0.00 H new ATOM 403 N ARG A 34 -14.025 -9.005 -6.338 1.00 0.00 N ATOM 404 CA ARG A 34 -14.082 -10.413 -6.712 1.00 0.00 C ATOM 405 C ARG A 34 -12.755 -10.870 -7.311 1.00 0.00 C ATOM 406 O ARG A 34 -12.093 -11.759 -6.774 1.00 0.00 O ATOM 407 CB ARG A 34 -15.214 -10.651 -7.713 1.00 0.00 C ATOM 408 CG ARG A 34 -16.564 -10.896 -7.059 1.00 0.00 C ATOM 409 CD ARG A 34 -17.324 -9.596 -6.846 1.00 0.00 C ATOM 410 NE ARG A 34 -18.204 -9.660 -5.683 1.00 0.00 N ATOM 411 CZ ARG A 34 -19.280 -8.895 -5.532 1.00 0.00 C ATOM 412 NH1 ARG A 34 -19.607 -8.014 -6.466 1.00 0.00 N ATOM 413 NH2 ARG A 34 -20.031 -9.012 -4.444 1.00 0.00 N ATOM 0 H ARG A 34 -14.676 -8.407 -6.847 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.274 -10.995 -5.811 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.291 -9.787 -8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -14.961 -11.508 -8.337 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -17.155 -11.566 -7.683 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.420 -11.396 -6.101 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.615 -8.778 -6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.914 -9.371 -7.735 1.00 0.00 H new ATOM 0 HE ARG A 34 -17.981 -10.329 -4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.032 -7.922 -7.304 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -20.433 -7.428 -6.347 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -19.782 -9.689 -3.723 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -20.857 -8.424 -4.329 1.00 0.00 H new ATOM 427 N LEU A 35 -12.373 -10.257 -8.426 1.00 0.00 N ATOM 428 CA LEU A 35 -11.125 -10.601 -9.099 1.00 0.00 C ATOM 429 C LEU A 35 -9.958 -10.596 -8.117 1.00 0.00 C ATOM 430 O LEU A 35 -9.192 -11.557 -8.042 1.00 0.00 O ATOM 431 CB LEU A 35 -10.851 -9.620 -10.240 1.00 0.00 C ATOM 432 CG LEU A 35 -11.764 -9.737 -11.461 1.00 0.00 C ATOM 433 CD1 LEU A 35 -11.742 -8.450 -12.270 1.00 0.00 C ATOM 434 CD2 LEU A 35 -11.350 -10.920 -12.325 1.00 0.00 C ATOM 0 H LEU A 35 -12.909 -9.519 -8.883 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.226 -11.606 -9.509 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.931 -8.606 -9.848 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.820 -9.754 -10.568 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.783 -9.905 -11.114 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.398 -8.553 -13.135 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.087 -7.624 -11.649 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.725 -8.250 -12.607 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.011 -10.988 -13.189 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.323 -10.782 -12.663 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.420 -11.838 -11.742 1.00 0.00 H new ATOM 446 N LYS A 36 -9.829 -9.509 -7.365 1.00 0.00 N ATOM 447 CA LYS A 36 -8.758 -9.379 -6.384 1.00 0.00 C ATOM 448 C LYS A 36 -9.196 -9.915 -5.025 1.00 0.00 C ATOM 449 O LYS A 36 -8.894 -9.325 -3.988 1.00 0.00 O ATOM 450 CB LYS A 36 -8.333 -7.914 -6.254 1.00 0.00 C ATOM 451 CG LYS A 36 -7.889 -7.291 -7.566 1.00 0.00 C ATOM 452 CD LYS A 36 -6.656 -7.983 -8.124 1.00 0.00 C ATOM 453 CE LYS A 36 -6.332 -7.496 -9.528 1.00 0.00 C ATOM 454 NZ LYS A 36 -5.567 -8.511 -10.304 1.00 0.00 N ATOM 0 H LYS A 36 -10.453 -8.704 -7.416 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.909 -9.968 -6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.166 -7.337 -5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.518 -7.843 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.700 -7.351 -8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.676 -6.233 -7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.805 -7.798 -7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.818 -9.061 -8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.257 -7.259 -10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.755 -6.573 -9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.366 -8.141 -11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.672 -8.719 -9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.128 -9.383 -10.383 1.00 0.00 H new ATOM 468 N ALA A 37 -9.909 -11.037 -5.039 1.00 0.00 N ATOM 469 CA ALA A 37 -10.385 -11.653 -3.807 1.00 0.00 C ATOM 470 C ALA A 37 -9.270 -12.431 -3.115 1.00 0.00 C ATOM 471 O ALA A 37 -9.037 -12.268 -1.917 1.00 0.00 O ATOM 472 CB ALA A 37 -11.567 -12.567 -4.097 1.00 0.00 C ATOM 0 H ALA A 37 -10.169 -11.537 -5.889 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.709 -10.859 -3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.913 -13.021 -3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.376 -11.986 -4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.260 -13.350 -4.791 1.00 0.00 H new ATOM 478 N LYS A 38 -8.584 -13.276 -3.877 1.00 0.00 N ATOM 479 CA LYS A 38 -7.493 -14.079 -3.338 1.00 0.00 C ATOM 480 C LYS A 38 -6.361 -13.190 -2.833 1.00 0.00 C ATOM 481 O LYS A 38 -5.860 -13.376 -1.724 1.00 0.00 O ATOM 482 CB LYS A 38 -6.963 -15.039 -4.406 1.00 0.00 C ATOM 483 CG LYS A 38 -8.013 -16.002 -4.932 1.00 0.00 C ATOM 484 CD LYS A 38 -7.388 -17.303 -5.408 1.00 0.00 C ATOM 485 CE LYS A 38 -6.960 -18.176 -4.239 1.00 0.00 C ATOM 486 NZ LYS A 38 -8.129 -18.708 -3.486 1.00 0.00 N ATOM 0 H LYS A 38 -8.764 -13.422 -4.870 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.881 -14.656 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.564 -14.459 -5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.134 -15.611 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.740 -16.212 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.556 -15.536 -5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.102 -17.846 -6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.524 -17.085 -6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.357 -19.006 -4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.328 -17.597 -3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.820 -19.486 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.543 -17.950 -2.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.842 -19.060 -4.156 1.00 0.00 H new ATOM 500 N SER A 39 -5.964 -12.222 -3.653 1.00 0.00 N ATOM 501 CA SER A 39 -4.890 -11.305 -3.290 1.00 0.00 C ATOM 502 C SER A 39 -5.362 -10.304 -2.240 1.00 0.00 C ATOM 503 O SER A 39 -6.552 -10.223 -1.933 1.00 0.00 O ATOM 504 CB SER A 39 -4.384 -10.562 -4.528 1.00 0.00 C ATOM 505 OG SER A 39 -3.040 -10.146 -4.360 1.00 0.00 O ATOM 0 H SER A 39 -6.370 -12.053 -4.573 1.00 0.00 H new ATOM 0 HA SER A 39 -4.073 -11.891 -2.868 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.461 -11.210 -5.401 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.015 -9.694 -4.718 1.00 0.00 H new ATOM 0 HG SER A 39 -2.740 -9.675 -5.165 1.00 0.00 H new ATOM 511 N LEU A 40 -4.420 -9.544 -1.691 1.00 0.00 N ATOM 512 CA LEU A 40 -4.738 -8.547 -0.674 1.00 0.00 C ATOM 513 C LEU A 40 -5.061 -7.201 -1.314 1.00 0.00 C ATOM 514 O LEU A 40 -4.200 -6.572 -1.931 1.00 0.00 O ATOM 515 CB LEU A 40 -3.570 -8.394 0.301 1.00 0.00 C ATOM 516 CG LEU A 40 -3.613 -7.168 1.214 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.846 -7.209 2.104 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.348 -7.085 2.055 1.00 0.00 C ATOM 0 H LEU A 40 -3.431 -9.599 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.617 -8.889 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.525 -9.286 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.645 -8.361 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.670 -6.276 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.860 -6.329 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.742 -7.220 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.820 -8.108 2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.396 -6.207 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.260 -7.981 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.480 -7.008 1.400 1.00 0.00 H new ATOM 530 N LEU A 41 -6.306 -6.763 -1.161 1.00 0.00 N ATOM 531 CA LEU A 41 -6.743 -5.489 -1.722 1.00 0.00 C ATOM 532 C LEU A 41 -6.572 -4.361 -0.709 1.00 0.00 C ATOM 533 O LEU A 41 -6.752 -4.559 0.493 1.00 0.00 O ATOM 534 CB LEU A 41 -8.205 -5.577 -2.162 1.00 0.00 C ATOM 535 CG LEU A 41 -8.637 -4.601 -3.257 1.00 0.00 C ATOM 536 CD1 LEU A 41 -7.875 -4.873 -4.544 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.137 -4.695 -3.493 1.00 0.00 C ATOM 0 H LEU A 41 -7.030 -7.271 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.122 -5.271 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.398 -6.591 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.837 -5.415 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.404 -3.588 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.195 -4.169 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.806 -4.754 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.076 -5.891 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.427 -3.994 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.394 -5.709 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.666 -4.450 -2.572 1.00 0.00 H new ATOM 549 N VAL A 42 -6.225 -3.176 -1.203 1.00 0.00 N ATOM 550 CA VAL A 42 -6.033 -2.015 -0.342 1.00 0.00 C ATOM 551 C VAL A 42 -6.690 -0.775 -0.938 1.00 0.00 C ATOM 552 O VAL A 42 -6.202 -0.211 -1.918 1.00 0.00 O ATOM 553 CB VAL A 42 -4.538 -1.730 -0.110 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.358 -0.489 0.752 1.00 0.00 C ATOM 555 CG2 VAL A 42 -3.858 -2.933 0.526 1.00 0.00 C ATOM 0 H VAL A 42 -6.071 -2.995 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.503 -2.248 0.614 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.068 -1.544 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.295 -0.303 0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.808 0.369 0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.842 -0.643 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.802 -2.713 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.329 -3.153 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.955 -3.796 -0.132 1.00 0.00 H new ATOM 565 N VAL A 43 -7.799 -0.354 -0.339 1.00 0.00 N ATOM 566 CA VAL A 43 -8.523 0.821 -0.809 1.00 0.00 C ATOM 567 C VAL A 43 -8.041 2.083 -0.102 1.00 0.00 C ATOM 568 O VAL A 43 -7.829 2.085 1.112 1.00 0.00 O ATOM 569 CB VAL A 43 -10.040 0.671 -0.590 1.00 0.00 C ATOM 570 CG1 VAL A 43 -10.772 1.926 -1.040 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.565 -0.554 -1.324 1.00 0.00 C ATOM 0 H VAL A 43 -8.216 -0.809 0.473 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.325 0.908 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.224 0.535 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.843 1.801 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.415 2.781 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.584 2.097 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.639 -0.645 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.370 -0.450 -2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.063 -1.446 -0.949 1.00 0.00 H new ATOM 581 N HIS A 44 -7.870 3.155 -0.868 1.00 0.00 N ATOM 582 CA HIS A 44 -7.413 4.425 -0.314 1.00 0.00 C ATOM 583 C HIS A 44 -8.398 5.545 -0.638 1.00 0.00 C ATOM 584 O HIS A 44 -8.747 5.761 -1.799 1.00 0.00 O ATOM 585 CB HIS A 44 -6.028 4.775 -0.859 1.00 0.00 C ATOM 586 CG HIS A 44 -5.534 6.120 -0.422 1.00 0.00 C ATOM 587 ND1 HIS A 44 -4.819 6.963 -1.246 1.00 0.00 N ATOM 588 CD2 HIS A 44 -5.658 6.767 0.760 1.00 0.00 C ATOM 589 CE1 HIS A 44 -4.523 8.070 -0.589 1.00 0.00 C ATOM 590 NE2 HIS A 44 -5.021 7.977 0.631 1.00 0.00 N ATOM 0 H HIS A 44 -8.041 3.170 -1.873 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.353 4.320 0.769 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.317 4.014 -0.537 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -6.057 4.744 -1.948 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.559 6.763 -2.212 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -6.164 6.400 1.641 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.968 8.909 -0.982 1.00 0.00 H new ATOM 599 N PHE A 45 -8.842 6.253 0.394 1.00 0.00 N ATOM 600 CA PHE A 45 -9.788 7.349 0.220 1.00 0.00 C ATOM 601 C PHE A 45 -9.055 8.671 0.007 1.00 0.00 C ATOM 602 O PHE A 45 -8.406 9.186 0.917 1.00 0.00 O ATOM 603 CB PHE A 45 -10.710 7.454 1.436 1.00 0.00 C ATOM 604 CG PHE A 45 -11.918 6.566 1.350 1.00 0.00 C ATOM 605 CD1 PHE A 45 -11.840 5.231 1.712 1.00 0.00 C ATOM 606 CD2 PHE A 45 -13.132 7.067 0.908 1.00 0.00 C ATOM 607 CE1 PHE A 45 -12.951 4.411 1.635 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.246 6.252 0.829 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.155 4.922 1.192 1.00 0.00 C ATOM 0 H PHE A 45 -8.562 6.088 1.361 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.389 7.140 -0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.145 7.200 2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.036 8.488 1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.901 4.826 2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.209 8.106 0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.877 3.372 1.921 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.187 6.655 0.484 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.024 4.283 1.129 1.00 0.00 H new ATOM 619 N TRP A 46 -9.165 9.213 -1.200 1.00 0.00 N ATOM 620 CA TRP A 46 -8.513 10.474 -1.534 1.00 0.00 C ATOM 621 C TRP A 46 -9.544 11.560 -1.825 1.00 0.00 C ATOM 622 O TRP A 46 -10.515 11.329 -2.544 1.00 0.00 O ATOM 623 CB TRP A 46 -7.591 10.292 -2.740 1.00 0.00 C ATOM 624 CG TRP A 46 -8.326 10.229 -4.045 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.783 9.107 -4.675 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.685 11.335 -4.880 1.00 0.00 C ATOM 627 NE1 TRP A 46 -9.405 9.449 -5.851 1.00 0.00 N ATOM 628 CE2 TRP A 46 -9.359 10.810 -6.000 1.00 0.00 C ATOM 629 CE3 TRP A 46 -8.505 12.718 -4.791 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -9.851 11.620 -7.020 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -8.993 13.521 -5.804 1.00 0.00 C ATOM 632 CH2 TRP A 46 -9.661 12.970 -6.906 1.00 0.00 C ATOM 0 H TRP A 46 -9.699 8.799 -1.964 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.918 10.785 -0.675 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.879 11.117 -2.772 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.013 9.377 -2.612 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.672 8.099 -4.303 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.832 8.795 -6.507 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.993 13.152 -3.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -10.364 11.198 -7.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -8.857 14.591 -5.746 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -10.033 13.624 -7.681 1.00 0.00 H new ATOM 643 N ALA A 47 -9.325 12.743 -1.262 1.00 0.00 N ATOM 644 CA ALA A 47 -10.235 13.865 -1.464 1.00 0.00 C ATOM 645 C ALA A 47 -9.552 14.994 -2.228 1.00 0.00 C ATOM 646 O ALA A 47 -8.374 15.290 -2.024 1.00 0.00 O ATOM 647 CB ALA A 47 -10.756 14.369 -0.127 1.00 0.00 C ATOM 0 H ALA A 47 -8.526 12.950 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.077 13.515 -2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.434 15.206 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.289 13.566 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.919 14.697 0.490 1.00 0.00 H new ATOM 653 N PRO A 48 -10.306 15.641 -3.128 1.00 0.00 N ATOM 654 CA PRO A 48 -9.794 16.749 -3.941 1.00 0.00 C ATOM 655 C PRO A 48 -9.534 18.003 -3.113 1.00 0.00 C ATOM 656 O PRO A 48 -9.152 19.043 -3.649 1.00 0.00 O ATOM 657 CB PRO A 48 -10.918 16.998 -4.949 1.00 0.00 C ATOM 658 CG PRO A 48 -12.150 16.504 -4.274 1.00 0.00 C ATOM 659 CD PRO A 48 -11.718 15.342 -3.423 1.00 0.00 C ATOM 0 HA PRO A 48 -8.836 16.508 -4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.000 18.056 -5.197 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.738 16.465 -5.883 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.602 17.287 -3.665 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.898 16.196 -5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.312 15.268 -2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.826 14.395 -3.951 1.00 0.00 H new ATOM 667 N TRP A 49 -9.742 17.897 -1.806 1.00 0.00 N ATOM 668 CA TRP A 49 -9.529 19.023 -0.904 1.00 0.00 C ATOM 669 C TRP A 49 -8.475 18.688 0.146 1.00 0.00 C ATOM 670 O TRP A 49 -7.597 19.499 0.438 1.00 0.00 O ATOM 671 CB TRP A 49 -10.841 19.412 -0.221 1.00 0.00 C ATOM 672 CG TRP A 49 -11.647 18.232 0.232 1.00 0.00 C ATOM 673 CD1 TRP A 49 -12.534 17.510 -0.514 1.00 0.00 C ATOM 674 CD2 TRP A 49 -11.642 17.641 1.536 1.00 0.00 C ATOM 675 NE1 TRP A 49 -13.079 16.505 0.247 1.00 0.00 N ATOM 676 CE2 TRP A 49 -12.548 16.563 1.508 1.00 0.00 C ATOM 677 CE3 TRP A 49 -10.958 17.915 2.723 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -12.787 15.763 2.622 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -11.196 17.120 3.828 1.00 0.00 C ATOM 680 CH2 TRP A 49 -12.104 16.054 3.771 1.00 0.00 C ATOM 0 H TRP A 49 -10.058 17.043 -1.347 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.171 19.866 -1.495 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.621 20.045 0.639 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.439 20.008 -0.911 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.772 17.701 -1.550 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.768 15.825 -0.075 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.256 18.734 2.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.487 14.942 2.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.673 17.324 4.751 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -12.268 15.450 4.651 1.00 0.00 H new ATOM 691 N ALA A 50 -8.568 17.488 0.710 1.00 0.00 N ATOM 692 CA ALA A 50 -7.621 17.046 1.726 1.00 0.00 C ATOM 693 C ALA A 50 -6.219 16.904 1.144 1.00 0.00 C ATOM 694 O ALA A 50 -5.946 16.024 0.327 1.00 0.00 O ATOM 695 CB ALA A 50 -8.078 15.729 2.335 1.00 0.00 C ATOM 0 H ALA A 50 -9.290 16.805 0.480 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.586 17.803 2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.362 15.410 3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.057 15.861 2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.143 14.970 1.555 1.00 0.00 H new ATOM 701 N PRO A 51 -5.307 17.789 1.573 1.00 0.00 N ATOM 702 CA PRO A 51 -3.917 17.783 1.107 1.00 0.00 C ATOM 703 C PRO A 51 -3.137 16.580 1.627 1.00 0.00 C ATOM 704 O PRO A 51 -1.958 16.414 1.318 1.00 0.00 O ATOM 705 CB PRO A 51 -3.345 19.081 1.681 1.00 0.00 C ATOM 706 CG PRO A 51 -4.186 19.370 2.877 1.00 0.00 C ATOM 707 CD PRO A 51 -5.563 18.865 2.545 1.00 0.00 C ATOM 0 HA PRO A 51 -3.851 17.716 0.021 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.296 18.965 1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.398 19.892 0.955 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.790 18.872 3.762 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.203 20.438 3.093 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.079 18.492 3.430 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.187 19.651 2.119 1.00 0.00 H new ATOM 715 N GLN A 52 -3.804 15.745 2.417 1.00 0.00 N ATOM 716 CA GLN A 52 -3.172 14.557 2.979 1.00 0.00 C ATOM 717 C GLN A 52 -3.129 13.427 1.956 1.00 0.00 C ATOM 718 O GLN A 52 -2.111 12.750 1.808 1.00 0.00 O ATOM 719 CB GLN A 52 -3.921 14.099 4.232 1.00 0.00 C ATOM 720 CG GLN A 52 -3.428 14.757 5.510 1.00 0.00 C ATOM 721 CD GLN A 52 -3.834 16.214 5.611 1.00 0.00 C ATOM 722 OE1 GLN A 52 -3.275 17.075 4.931 1.00 0.00 O ATOM 723 NE2 GLN A 52 -4.812 16.499 6.463 1.00 0.00 N ATOM 0 H GLN A 52 -4.781 15.869 2.682 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.148 14.815 3.250 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.983 14.313 4.109 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.823 13.018 4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.822 14.214 6.369 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.342 14.683 5.557 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.248 15.754 7.007 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.127 17.463 6.573 1.00 0.00 H new ATOM 732 N CYS A 53 -4.239 13.229 1.254 1.00 0.00 N ATOM 733 CA CYS A 53 -4.328 12.179 0.246 1.00 0.00 C ATOM 734 C CYS A 53 -3.176 12.281 -0.749 1.00 0.00 C ATOM 735 O CYS A 53 -2.856 11.318 -1.444 1.00 0.00 O ATOM 736 CB CYS A 53 -5.665 12.265 -0.493 1.00 0.00 C ATOM 737 SG CYS A 53 -5.906 13.807 -1.405 1.00 0.00 S ATOM 0 H CYS A 53 -5.089 13.781 1.364 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.262 11.216 0.753 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.738 11.429 -1.188 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.474 12.151 0.228 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.587 14.814 -0.647 1.00 0.00 H new ATOM 743 N ALA A 54 -2.558 13.456 -0.812 1.00 0.00 N ATOM 744 CA ALA A 54 -1.442 13.684 -1.721 1.00 0.00 C ATOM 745 C ALA A 54 -0.223 12.865 -1.310 1.00 0.00 C ATOM 746 O ALA A 54 0.160 11.919 -1.998 1.00 0.00 O ATOM 747 CB ALA A 54 -1.094 15.165 -1.768 1.00 0.00 C ATOM 0 H ALA A 54 -2.812 14.265 -0.244 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.745 13.361 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.259 15.321 -2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.958 15.731 -2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.816 15.505 -0.771 1.00 0.00 H new ATOM 753 N GLN A 55 0.382 13.236 -0.187 1.00 0.00 N ATOM 754 CA GLN A 55 1.559 12.536 0.314 1.00 0.00 C ATOM 755 C GLN A 55 1.298 11.037 0.416 1.00 0.00 C ATOM 756 O GLN A 55 2.173 10.223 0.123 1.00 0.00 O ATOM 757 CB GLN A 55 1.964 13.089 1.681 1.00 0.00 C ATOM 758 CG GLN A 55 1.011 12.704 2.800 1.00 0.00 C ATOM 759 CD GLN A 55 1.076 13.658 3.977 1.00 0.00 C ATOM 760 OE1 GLN A 55 0.125 13.774 4.750 1.00 0.00 O ATOM 761 NE2 GLN A 55 2.202 14.347 4.118 1.00 0.00 N ATOM 0 H GLN A 55 0.077 14.017 0.393 1.00 0.00 H new ATOM 0 HA GLN A 55 2.374 12.697 -0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.964 12.730 1.927 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.021 14.176 1.622 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.007 12.680 2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.246 11.696 3.141 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.965 14.219 3.453 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.304 15.004 4.891 1.00 0.00 H new ATOM 770 N MET A 56 0.088 10.679 0.833 1.00 0.00 N ATOM 771 CA MET A 56 -0.289 9.277 0.973 1.00 0.00 C ATOM 772 C MET A 56 -0.286 8.576 -0.382 1.00 0.00 C ATOM 773 O MET A 56 0.256 7.480 -0.523 1.00 0.00 O ATOM 774 CB MET A 56 -1.671 9.159 1.618 1.00 0.00 C ATOM 775 CG MET A 56 -1.724 9.690 3.041 1.00 0.00 C ATOM 776 SD MET A 56 -1.347 8.425 4.269 1.00 0.00 S ATOM 777 CE MET A 56 0.434 8.319 4.110 1.00 0.00 C ATOM 0 H MET A 56 -0.648 11.340 1.080 1.00 0.00 H new ATOM 0 HA MET A 56 0.446 8.792 1.616 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.395 9.701 1.009 1.00 0.00 H new ATOM 0 HB3 MET A 56 -1.975 8.112 1.618 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.017 10.513 3.144 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.716 10.096 3.236 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.705 7.352 3.686 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.789 9.114 3.454 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.894 8.426 5.092 1.00 0.00 H new ATOM 787 N ASN A 57 -0.894 9.215 -1.376 1.00 0.00 N ATOM 788 CA ASN A 57 -0.962 8.652 -2.719 1.00 0.00 C ATOM 789 C ASN A 57 0.432 8.300 -3.233 1.00 0.00 C ATOM 790 O ASN A 57 0.634 7.246 -3.834 1.00 0.00 O ATOM 791 CB ASN A 57 -1.635 9.638 -3.675 1.00 0.00 C ATOM 792 CG ASN A 57 -3.138 9.445 -3.741 1.00 0.00 C ATOM 793 OD1 ASN A 57 -3.623 8.340 -3.985 1.00 0.00 O ATOM 794 ND2 ASN A 57 -3.883 10.522 -3.523 1.00 0.00 N ATOM 0 H ASN A 57 -1.347 10.124 -1.276 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.555 7.739 -2.673 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.416 10.657 -3.355 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.212 9.519 -4.672 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.900 10.453 -3.554 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.438 11.418 -3.324 1.00 0.00 H new ATOM 801 N GLU A 58 1.388 9.190 -2.989 1.00 0.00 N ATOM 802 CA GLU A 58 2.762 8.974 -3.427 1.00 0.00 C ATOM 803 C GLU A 58 3.342 7.711 -2.795 1.00 0.00 C ATOM 804 O GLU A 58 3.921 6.869 -3.482 1.00 0.00 O ATOM 805 CB GLU A 58 3.631 10.181 -3.070 1.00 0.00 C ATOM 806 CG GLU A 58 3.594 11.287 -4.112 1.00 0.00 C ATOM 807 CD GLU A 58 4.724 12.284 -3.944 1.00 0.00 C ATOM 808 OE1 GLU A 58 5.832 12.018 -4.455 1.00 0.00 O ATOM 809 OE2 GLU A 58 4.499 13.332 -3.302 1.00 0.00 O ATOM 0 H GLU A 58 1.237 10.067 -2.491 1.00 0.00 H new ATOM 0 HA GLU A 58 2.755 8.848 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.302 10.584 -2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.661 9.850 -2.940 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.649 10.846 -5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.640 11.810 -4.047 1.00 0.00 H new ATOM 816 N VAL A 59 3.182 7.587 -1.482 1.00 0.00 N ATOM 817 CA VAL A 59 3.688 6.428 -0.756 1.00 0.00 C ATOM 818 C VAL A 59 3.175 5.130 -1.368 1.00 0.00 C ATOM 819 O VAL A 59 3.941 4.192 -1.590 1.00 0.00 O ATOM 820 CB VAL A 59 3.286 6.477 0.730 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.770 5.231 1.455 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.833 7.734 1.389 1.00 0.00 C ATOM 0 H VAL A 59 2.706 8.275 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 59 4.775 6.457 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 59 2.198 6.506 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.477 5.283 2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.325 4.348 0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.856 5.168 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.539 7.752 2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.921 7.739 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.432 8.613 0.885 1.00 0.00 H new ATOM 832 N MET A 60 1.875 5.083 -1.639 1.00 0.00 N ATOM 833 CA MET A 60 1.260 3.899 -2.228 1.00 0.00 C ATOM 834 C MET A 60 2.051 3.422 -3.442 1.00 0.00 C ATOM 835 O MET A 60 2.554 2.299 -3.465 1.00 0.00 O ATOM 836 CB MET A 60 -0.186 4.196 -2.630 1.00 0.00 C ATOM 837 CG MET A 60 -1.162 4.154 -1.466 1.00 0.00 C ATOM 838 SD MET A 60 -2.782 4.818 -1.894 1.00 0.00 S ATOM 839 CE MET A 60 -3.449 3.478 -2.877 1.00 0.00 C ATOM 0 H MET A 60 1.227 5.850 -1.460 1.00 0.00 H new ATOM 0 HA MET A 60 1.266 3.107 -1.480 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.230 5.181 -3.095 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.501 3.474 -3.383 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.274 3.124 -1.128 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.750 4.721 -0.631 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.488 3.692 -3.127 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.869 3.376 -3.794 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.397 2.549 -2.309 1.00 0.00 H new ATOM 849 N ALA A 61 2.155 4.282 -4.450 1.00 0.00 N ATOM 850 CA ALA A 61 2.886 3.949 -5.666 1.00 0.00 C ATOM 851 C ALA A 61 4.194 3.234 -5.343 1.00 0.00 C ATOM 852 O ALA A 61 4.492 2.183 -5.907 1.00 0.00 O ATOM 853 CB ALA A 61 3.157 5.206 -6.480 1.00 0.00 C ATOM 0 H ALA A 61 1.742 5.215 -4.448 1.00 0.00 H new ATOM 0 HA ALA A 61 2.269 3.272 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.704 4.942 -7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.211 5.675 -6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.751 5.902 -5.888 1.00 0.00 H new ATOM 859 N GLU A 62 4.969 3.813 -4.431 1.00 0.00 N ATOM 860 CA GLU A 62 6.246 3.230 -4.035 1.00 0.00 C ATOM 861 C GLU A 62 6.058 1.804 -3.525 1.00 0.00 C ATOM 862 O GLU A 62 6.935 0.954 -3.688 1.00 0.00 O ATOM 863 CB GLU A 62 6.909 4.087 -2.954 1.00 0.00 C ATOM 864 CG GLU A 62 7.489 5.389 -3.480 1.00 0.00 C ATOM 865 CD GLU A 62 8.255 6.157 -2.421 1.00 0.00 C ATOM 866 OE1 GLU A 62 7.863 6.085 -1.237 1.00 0.00 O ATOM 867 OE2 GLU A 62 9.246 6.830 -2.775 1.00 0.00 O ATOM 0 H GLU A 62 4.736 4.683 -3.953 1.00 0.00 H new ATOM 0 HA GLU A 62 6.892 3.201 -4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.175 4.312 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.704 3.510 -2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.152 5.175 -4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.682 6.013 -3.863 1.00 0.00 H new ATOM 874 N LEU A 63 4.911 1.550 -2.906 1.00 0.00 N ATOM 875 CA LEU A 63 4.607 0.227 -2.371 1.00 0.00 C ATOM 876 C LEU A 63 4.139 -0.713 -3.477 1.00 0.00 C ATOM 877 O LEU A 63 4.543 -1.874 -3.530 1.00 0.00 O ATOM 878 CB LEU A 63 3.534 0.329 -1.285 1.00 0.00 C ATOM 879 CG LEU A 63 3.956 1.019 0.013 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.736 1.401 0.835 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.884 0.121 0.817 1.00 0.00 C ATOM 0 H LEU A 63 4.176 2.242 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 63 5.519 -0.180 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.679 0.865 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.193 -0.678 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 63 4.497 1.931 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.056 1.891 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.109 2.082 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.167 0.504 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.174 0.628 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.369 -0.808 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.775 -0.101 0.229 1.00 0.00 H new ATOM 893 N ALA A 64 3.287 -0.203 -4.360 1.00 0.00 N ATOM 894 CA ALA A 64 2.768 -0.996 -5.467 1.00 0.00 C ATOM 895 C ALA A 64 3.840 -1.922 -6.029 1.00 0.00 C ATOM 896 O ALA A 64 3.710 -3.145 -5.976 1.00 0.00 O ATOM 897 CB ALA A 64 2.228 -0.085 -6.561 1.00 0.00 C ATOM 0 H ALA A 64 2.942 0.756 -4.330 1.00 0.00 H new ATOM 0 HA ALA A 64 1.954 -1.614 -5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.843 -0.690 -7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.425 0.531 -6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.029 0.557 -6.928 1.00 0.00 H new ATOM 903 N LYS A 65 4.902 -1.332 -6.569 1.00 0.00 N ATOM 904 CA LYS A 65 5.998 -2.104 -7.141 1.00 0.00 C ATOM 905 C LYS A 65 6.676 -2.959 -6.075 1.00 0.00 C ATOM 906 O LYS A 65 6.987 -4.127 -6.309 1.00 0.00 O ATOM 907 CB LYS A 65 7.023 -1.170 -7.788 1.00 0.00 C ATOM 908 CG LYS A 65 7.578 -0.123 -6.837 1.00 0.00 C ATOM 909 CD LYS A 65 8.492 0.855 -7.556 1.00 0.00 C ATOM 910 CE LYS A 65 9.080 1.877 -6.596 1.00 0.00 C ATOM 911 NZ LYS A 65 10.052 1.258 -5.653 1.00 0.00 N ATOM 0 H LYS A 65 5.026 -0.321 -6.622 1.00 0.00 H new ATOM 0 HA LYS A 65 5.585 -2.765 -7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.847 -1.765 -8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.559 -0.668 -8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.755 0.421 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.128 -0.614 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.298 0.309 -8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.933 1.369 -8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.576 2.665 -7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.276 2.349 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.554 2.005 -5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.544 0.649 -4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.738 0.687 -6.187 1.00 0.00 H new ATOM 925 N GLU A 66 6.900 -2.371 -4.904 1.00 0.00 N ATOM 926 CA GLU A 66 7.540 -3.080 -3.803 1.00 0.00 C ATOM 927 C GLU A 66 6.832 -4.403 -3.524 1.00 0.00 C ATOM 928 O GLU A 66 7.473 -5.411 -3.221 1.00 0.00 O ATOM 929 CB GLU A 66 7.541 -2.214 -2.541 1.00 0.00 C ATOM 930 CG GLU A 66 8.132 -2.910 -1.327 1.00 0.00 C ATOM 931 CD GLU A 66 9.614 -3.193 -1.480 1.00 0.00 C ATOM 932 OE1 GLU A 66 10.418 -2.252 -1.313 1.00 0.00 O ATOM 933 OE2 GLU A 66 9.970 -4.355 -1.768 1.00 0.00 O ATOM 0 H GLU A 66 6.648 -1.405 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 66 8.570 -3.292 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.105 -1.302 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.518 -1.914 -2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.974 -2.290 -0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.603 -3.848 -1.157 1.00 0.00 H new ATOM 940 N LEU A 67 5.508 -4.393 -3.628 1.00 0.00 N ATOM 941 CA LEU A 67 4.712 -5.591 -3.387 1.00 0.00 C ATOM 942 C LEU A 67 3.793 -5.882 -4.569 1.00 0.00 C ATOM 943 O LEU A 67 2.664 -5.397 -4.642 1.00 0.00 O ATOM 944 CB LEU A 67 3.884 -5.429 -2.110 1.00 0.00 C ATOM 945 CG LEU A 67 4.660 -5.040 -0.852 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.719 -4.480 0.204 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.426 -6.236 -0.306 1.00 0.00 C ATOM 0 H LEU A 67 4.963 -3.568 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 67 5.395 -6.432 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.120 -4.673 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.364 -6.367 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 67 5.378 -4.264 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.289 -4.209 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.216 -3.596 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.976 -5.234 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.972 -5.940 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.726 -7.034 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.129 -6.592 -1.059 1.00 0.00 H new ATOM 959 N PRO A 68 4.286 -6.693 -5.517 1.00 0.00 N ATOM 960 CA PRO A 68 3.525 -7.068 -6.712 1.00 0.00 C ATOM 961 C PRO A 68 2.358 -7.995 -6.388 1.00 0.00 C ATOM 962 O PRO A 68 1.459 -8.184 -7.207 1.00 0.00 O ATOM 963 CB PRO A 68 4.558 -7.793 -7.577 1.00 0.00 C ATOM 964 CG PRO A 68 5.566 -8.312 -6.610 1.00 0.00 C ATOM 965 CD PRO A 68 5.625 -7.306 -5.494 1.00 0.00 C ATOM 0 HA PRO A 68 3.075 -6.202 -7.197 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.100 -8.603 -8.144 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.014 -7.116 -8.299 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.278 -9.294 -6.235 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.540 -8.425 -7.085 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.833 -7.781 -4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.408 -6.567 -5.660 1.00 0.00 H new ATOM 973 N GLN A 69 2.378 -8.568 -5.189 1.00 0.00 N ATOM 974 CA GLN A 69 1.321 -9.475 -4.758 1.00 0.00 C ATOM 975 C GLN A 69 0.202 -8.713 -4.057 1.00 0.00 C ATOM 976 O GLN A 69 -0.613 -9.300 -3.346 1.00 0.00 O ATOM 977 CB GLN A 69 1.888 -10.546 -3.824 1.00 0.00 C ATOM 978 CG GLN A 69 2.413 -9.991 -2.510 1.00 0.00 C ATOM 979 CD GLN A 69 2.744 -11.079 -1.508 1.00 0.00 C ATOM 980 OE1 GLN A 69 2.406 -12.246 -1.707 1.00 0.00 O ATOM 981 NE2 GLN A 69 3.409 -10.701 -0.422 1.00 0.00 N ATOM 0 H GLN A 69 3.114 -8.420 -4.499 1.00 0.00 H new ATOM 0 HA GLN A 69 0.908 -9.957 -5.644 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.111 -11.281 -3.614 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.695 -11.072 -4.335 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.306 -9.396 -2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.669 -9.320 -2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.669 -9.723 -0.298 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.660 -11.389 0.288 1.00 0.00 H new ATOM 990 N VAL A 70 0.168 -7.400 -4.263 1.00 0.00 N ATOM 991 CA VAL A 70 -0.852 -6.556 -3.651 1.00 0.00 C ATOM 992 C VAL A 70 -1.532 -5.674 -4.691 1.00 0.00 C ATOM 993 O VAL A 70 -0.963 -5.388 -5.745 1.00 0.00 O ATOM 994 CB VAL A 70 -0.253 -5.663 -2.548 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.307 -4.711 -2.002 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.337 -6.514 -1.434 1.00 0.00 C ATOM 0 H VAL A 70 0.835 -6.898 -4.849 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.591 -7.223 -3.207 1.00 0.00 H new ATOM 0 HB VAL A 70 0.550 -5.068 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.866 -4.088 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.677 -4.077 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.133 -5.285 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.755 -5.866 -0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.445 -7.137 -0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.124 -7.150 -1.840 1.00 0.00 H new ATOM 1006 N SER A 71 -2.753 -5.245 -4.388 1.00 0.00 N ATOM 1007 CA SER A 71 -3.513 -4.397 -5.299 1.00 0.00 C ATOM 1008 C SER A 71 -3.894 -3.082 -4.626 1.00 0.00 C ATOM 1009 O SER A 71 -4.741 -3.051 -3.733 1.00 0.00 O ATOM 1010 CB SER A 71 -4.772 -5.123 -5.775 1.00 0.00 C ATOM 1011 OG SER A 71 -4.514 -5.877 -6.947 1.00 0.00 O ATOM 0 H SER A 71 -3.237 -5.471 -3.519 1.00 0.00 H new ATOM 0 HA SER A 71 -2.883 -4.175 -6.160 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.135 -5.783 -4.987 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.561 -4.398 -5.972 1.00 0.00 H new ATOM 0 HG SER A 71 -5.090 -5.560 -7.673 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.263 -1.997 -5.062 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.534 -0.678 -4.503 1.00 0.00 C ATOM 1019 C PHE A 72 -4.551 0.076 -5.355 1.00 0.00 C ATOM 1020 O PHE A 72 -4.270 0.445 -6.495 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.240 0.131 -4.398 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.299 -0.376 -3.342 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -1.393 0.078 -2.037 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -0.322 -1.306 -3.656 1.00 0.00 C ATOM 1025 CE1 PHE A 72 -0.529 -0.387 -1.063 1.00 0.00 C ATOM 1026 CE2 PHE A 72 0.544 -1.775 -2.686 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.441 -1.314 -1.388 1.00 0.00 C ATOM 0 H PHE A 72 -2.560 -2.005 -5.801 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.952 -0.813 -3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.733 0.116 -5.363 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.487 1.171 -4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.150 0.803 -1.777 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.236 -1.669 -4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.613 -0.025 -0.049 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.301 -2.501 -2.943 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.118 -1.678 -0.629 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.734 0.301 -4.793 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.794 1.011 -5.499 1.00 0.00 C ATOM 1039 C VAL A 73 -7.245 2.242 -4.720 1.00 0.00 C ATOM 1040 O VAL A 73 -7.582 2.154 -3.539 1.00 0.00 O ATOM 1041 CB VAL A 73 -8.010 0.100 -5.749 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.655 -1.009 -6.727 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.521 -0.477 -4.437 1.00 0.00 C ATOM 0 H VAL A 73 -5.983 0.002 -3.850 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.381 1.324 -6.458 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.806 0.699 -6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.527 -1.642 -6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.341 -0.572 -7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.843 -1.609 -6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.381 -1.118 -4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.732 -1.062 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.817 0.335 -3.773 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.251 3.390 -5.389 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.663 4.640 -4.762 1.00 0.00 C ATOM 1055 C LYS A 74 -9.043 5.066 -5.253 1.00 0.00 C ATOM 1056 O LYS A 74 -9.329 5.018 -6.450 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.643 5.742 -5.054 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.505 6.066 -6.532 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.471 7.154 -6.770 1.00 0.00 C ATOM 1060 CE LYS A 74 -5.700 7.860 -8.097 1.00 0.00 C ATOM 1061 NZ LYS A 74 -4.433 8.399 -8.665 1.00 0.00 N ATOM 0 H LYS A 74 -6.975 3.480 -6.367 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.714 4.478 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.933 6.646 -4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.671 5.439 -4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.220 5.166 -7.078 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.469 6.386 -6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.512 7.880 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.472 6.717 -6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.149 7.164 -8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.411 8.675 -7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.632 8.873 -9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.018 9.082 -8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.764 7.619 -8.823 1.00 0.00 H new ATOM 1075 N LEU A 75 -9.893 5.484 -4.322 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.244 5.921 -4.661 1.00 0.00 C ATOM 1077 C LEU A 75 -11.546 7.284 -4.044 1.00 0.00 C ATOM 1078 O LEU A 75 -11.233 7.531 -2.880 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.269 4.893 -4.181 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.715 5.382 -4.083 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.681 4.211 -4.173 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -13.930 6.155 -2.791 1.00 0.00 C ATOM 0 H LEU A 75 -9.672 5.530 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.309 6.011 -5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.241 4.038 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.961 4.533 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.910 6.052 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.705 4.578 -4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.545 3.699 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.487 3.516 -3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.964 6.495 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.717 5.508 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.263 7.017 -2.767 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.157 8.162 -4.833 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.502 9.498 -4.362 1.00 0.00 C ATOM 1096 C GLU A 76 -13.828 9.483 -3.606 1.00 0.00 C ATOM 1097 O GLU A 76 -14.881 9.218 -4.184 1.00 0.00 O ATOM 1098 CB GLU A 76 -12.586 10.472 -5.540 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.669 11.930 -5.120 1.00 0.00 C ATOM 1100 CD GLU A 76 -13.134 12.835 -6.244 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -12.658 12.656 -7.385 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -13.973 13.723 -5.983 1.00 0.00 O ATOM 0 H GLU A 76 -12.423 7.973 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.718 9.829 -3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.712 10.335 -6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.460 10.226 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.354 12.023 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.690 12.261 -4.774 1.00 0.00 H new ATOM 1109 N ALA A 77 -13.766 9.770 -2.310 1.00 0.00 N ATOM 1110 CA ALA A 77 -14.960 9.791 -1.474 1.00 0.00 C ATOM 1111 C ALA A 77 -16.104 10.522 -2.169 1.00 0.00 C ATOM 1112 O ALA A 77 -17.204 9.988 -2.302 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.654 10.440 -0.133 1.00 0.00 C ATOM 0 H ALA A 77 -12.901 9.991 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.272 8.761 -1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.555 10.449 0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.874 9.874 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.314 11.463 -0.293 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.835 11.747 -2.610 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.844 12.552 -3.290 1.00 0.00 C ATOM 1121 C GLU A 78 -17.166 11.972 -4.665 1.00 0.00 C ATOM 1122 O GLU A 78 -18.214 12.259 -5.242 1.00 0.00 O ATOM 1123 CB GLU A 78 -16.364 13.997 -3.434 1.00 0.00 C ATOM 1124 CG GLU A 78 -16.294 14.749 -2.115 1.00 0.00 C ATOM 1125 CD GLU A 78 -17.659 14.955 -1.488 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -18.466 15.718 -2.058 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -17.920 14.352 -0.426 1.00 0.00 O ATOM 0 H GLU A 78 -14.928 12.203 -2.509 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.751 12.537 -2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.377 13.999 -3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.034 14.528 -4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.659 14.199 -1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.823 15.718 -2.278 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.255 11.154 -5.184 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.459 10.548 -6.487 1.00 0.00 C ATOM 1136 C GLY A 79 -17.416 9.373 -6.436 1.00 0.00 C ATOM 1137 O GLY A 79 -18.307 9.253 -7.276 1.00 0.00 O ATOM 0 H GLY A 79 -15.380 10.900 -4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.846 11.298 -7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.500 10.215 -6.884 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.230 8.503 -5.448 1.00 0.00 N ATOM 1142 CA VAL A 80 -18.084 7.332 -5.291 1.00 0.00 C ATOM 1143 C VAL A 80 -18.794 7.346 -3.942 1.00 0.00 C ATOM 1144 O VAL A 80 -18.362 6.713 -2.979 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.275 6.027 -5.420 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.191 4.818 -5.308 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.507 6.004 -6.732 1.00 0.00 C ATOM 0 H VAL A 80 -16.496 8.587 -4.745 1.00 0.00 H new ATOM 0 HA VAL A 80 -18.826 7.372 -6.089 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.555 5.984 -4.603 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.602 3.905 -5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.692 4.829 -4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -18.937 4.852 -6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -15.941 5.075 -6.806 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.207 6.070 -7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.821 6.850 -6.767 1.00 0.00 H new ATOM 1157 N PRO A 81 -19.911 8.085 -3.869 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.706 8.199 -2.643 1.00 0.00 C ATOM 1159 C PRO A 81 -21.425 6.900 -2.296 1.00 0.00 C ATOM 1160 O PRO A 81 -21.712 6.632 -1.129 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.718 9.297 -2.977 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.839 9.262 -4.461 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.484 8.866 -4.978 1.00 0.00 C ATOM 0 HA PRO A 81 -20.086 8.422 -1.775 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.678 9.109 -2.497 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.374 10.271 -2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.600 8.547 -4.774 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -22.136 10.235 -4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.559 8.274 -5.890 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.873 9.738 -5.213 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.713 6.097 -3.316 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.400 4.826 -3.116 1.00 0.00 C ATOM 1173 C GLU A 82 -21.646 3.951 -2.118 1.00 0.00 C ATOM 1174 O GLU A 82 -22.226 3.444 -1.158 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.548 4.087 -4.448 1.00 0.00 C ATOM 1176 CG GLU A 82 -23.160 2.703 -4.311 1.00 0.00 C ATOM 1177 CD GLU A 82 -24.670 2.744 -4.171 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -25.339 3.239 -5.101 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -25.181 2.279 -3.130 1.00 0.00 O ATOM 0 H GLU A 82 -21.482 6.304 -4.288 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.390 5.037 -2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -23.166 4.684 -5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.567 3.997 -4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -22.896 2.105 -5.183 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -22.732 2.205 -3.441 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.349 3.778 -2.353 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.515 2.966 -1.476 1.00 0.00 C ATOM 1188 C VAL A 83 -19.269 3.669 -0.145 1.00 0.00 C ATOM 1189 O VAL A 83 -19.512 3.104 0.921 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.159 2.642 -2.131 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.274 1.863 -1.171 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.365 1.870 -3.426 1.00 0.00 C ATOM 0 H VAL A 83 -19.853 4.190 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 83 -20.055 2.036 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.657 3.580 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.321 1.643 -1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.100 2.457 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.766 0.930 -0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.397 1.649 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.888 0.937 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.958 2.470 -4.117 1.00 0.00 H new ATOM 1202 N SER A 84 -18.786 4.905 -0.216 1.00 0.00 N ATOM 1203 CA SER A 84 -18.503 5.685 0.983 1.00 0.00 C ATOM 1204 C SER A 84 -19.657 5.590 1.977 1.00 0.00 C ATOM 1205 O SER A 84 -19.442 5.499 3.185 1.00 0.00 O ATOM 1206 CB SER A 84 -18.250 7.149 0.617 1.00 0.00 C ATOM 1207 OG SER A 84 -17.268 7.258 -0.399 1.00 0.00 O ATOM 0 H SER A 84 -18.582 5.388 -1.091 1.00 0.00 H new ATOM 0 HA SER A 84 -17.608 5.275 1.451 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.179 7.609 0.280 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.925 7.697 1.501 1.00 0.00 H new ATOM 0 HG SER A 84 -17.690 7.143 -1.276 1.00 0.00 H new ATOM 1213 N GLU A 85 -20.880 5.612 1.458 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.068 5.529 2.300 1.00 0.00 C ATOM 1215 C GLU A 85 -22.107 4.205 3.058 1.00 0.00 C ATOM 1216 O GLU A 85 -22.177 4.181 4.287 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.333 5.682 1.453 1.00 0.00 C ATOM 1218 CG GLU A 85 -24.595 5.885 2.274 1.00 0.00 C ATOM 1219 CD GLU A 85 -25.108 4.595 2.884 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -25.183 3.583 2.156 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -25.435 4.599 4.089 1.00 0.00 O ATOM 0 H GLU A 85 -21.075 5.687 0.460 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.025 6.342 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.208 6.529 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -23.453 4.795 0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -24.395 6.604 3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -25.370 6.317 1.641 1.00 0.00 H new ATOM 1228 N LYS A 86 -22.060 3.104 2.315 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.089 1.775 2.914 1.00 0.00 C ATOM 1230 C LYS A 86 -21.145 1.697 4.110 1.00 0.00 C ATOM 1231 O LYS A 86 -21.568 1.406 5.229 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.704 0.718 1.877 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.813 -0.707 2.392 1.00 0.00 C ATOM 1234 CD LYS A 86 -20.884 -1.645 1.640 1.00 0.00 C ATOM 1235 CE LYS A 86 -20.502 -2.849 2.487 1.00 0.00 C ATOM 1236 NZ LYS A 86 -21.504 -3.945 2.376 1.00 0.00 N ATOM 0 H LYS A 86 -22.002 3.106 1.297 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.104 1.582 3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.344 0.829 1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.681 0.899 1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.572 -0.730 3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.841 -1.054 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -21.369 -1.982 0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.984 -1.107 1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -19.525 -3.217 2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.410 -2.545 3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -21.208 -4.747 2.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -22.431 -3.601 2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -21.574 -4.253 1.385 1.00 0.00 H new ATOM 1250 N TYR A 87 -19.866 1.959 3.866 1.00 0.00 N ATOM 1251 CA TYR A 87 -18.862 1.917 4.923 1.00 0.00 C ATOM 1252 C TYR A 87 -18.920 3.178 5.780 1.00 0.00 C ATOM 1253 O TYR A 87 -18.329 3.237 6.857 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.465 1.759 4.322 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.276 0.466 3.561 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -17.565 0.386 2.205 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -16.807 -0.676 4.199 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -17.395 -0.793 1.506 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -16.632 -1.859 3.508 1.00 0.00 C ATOM 1260 CZ TYR A 87 -16.928 -1.913 2.162 1.00 0.00 C ATOM 1261 OH TYR A 87 -16.755 -3.089 1.469 1.00 0.00 O ATOM 0 H TYR A 87 -19.500 2.203 2.946 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.076 1.058 5.559 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.270 2.597 3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.726 1.811 5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -17.929 1.261 1.688 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -16.575 -0.638 5.253 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -17.626 -0.838 0.452 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -16.265 -2.737 4.019 1.00 0.00 H new ATOM 0 HH TYR A 87 -15.838 -3.412 1.596 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.637 4.185 5.291 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.772 5.446 6.011 1.00 0.00 C ATOM 1273 C GLU A 88 -18.416 6.125 6.178 1.00 0.00 C ATOM 1274 O GLU A 88 -18.108 6.667 7.240 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.409 5.210 7.382 1.00 0.00 C ATOM 1276 CG GLU A 88 -21.877 4.822 7.313 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.425 4.373 8.653 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -22.329 5.152 9.625 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -22.951 3.243 8.730 1.00 0.00 O ATOM 0 H GLU A 88 -20.133 4.152 4.400 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.417 6.102 5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.858 4.424 7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.309 6.116 7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.457 5.672 6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -22.003 4.020 6.586 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.610 6.092 5.122 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.288 6.704 5.151 1.00 0.00 C ATOM 1288 C ILE A 89 -16.379 8.218 4.993 1.00 0.00 C ATOM 1289 O ILE A 89 -16.229 8.748 3.892 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.380 6.138 4.043 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.159 4.638 4.252 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.051 6.876 4.018 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.287 4.317 5.446 1.00 0.00 C ATOM 0 H ILE A 89 -17.850 5.648 4.236 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.853 6.467 6.122 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.872 6.284 3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.126 4.150 4.377 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.703 4.218 3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.421 6.464 3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.226 7.935 3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.552 6.759 4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.173 3.236 5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.307 4.776 5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.752 4.707 6.351 1.00 0.00 H new ATOM 1305 N SER A 90 -16.625 8.910 6.101 1.00 0.00 N ATOM 1306 CA SER A 90 -16.739 10.363 6.086 1.00 0.00 C ATOM 1307 C SER A 90 -15.480 11.013 6.654 1.00 0.00 C ATOM 1308 O SER A 90 -15.553 12.006 7.376 1.00 0.00 O ATOM 1309 CB SER A 90 -17.963 10.809 6.889 1.00 0.00 C ATOM 1310 OG SER A 90 -18.263 12.172 6.645 1.00 0.00 O ATOM 0 H SER A 90 -16.749 8.487 7.021 1.00 0.00 H new ATOM 0 HA SER A 90 -16.857 10.682 5.050 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.821 10.191 6.624 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.779 10.659 7.953 1.00 0.00 H new ATOM 0 HG SER A 90 -17.465 12.717 6.807 1.00 0.00 H new ATOM 1316 N SER A 91 -14.326 10.443 6.321 1.00 0.00 N ATOM 1317 CA SER A 91 -13.051 10.963 6.800 1.00 0.00 C ATOM 1318 C SER A 91 -11.907 10.512 5.896 1.00 0.00 C ATOM 1319 O SER A 91 -11.867 9.366 5.450 1.00 0.00 O ATOM 1320 CB SER A 91 -12.794 10.500 8.235 1.00 0.00 C ATOM 1321 OG SER A 91 -13.320 11.425 9.171 1.00 0.00 O ATOM 0 H SER A 91 -14.248 9.621 5.722 1.00 0.00 H new ATOM 0 HA SER A 91 -13.100 12.052 6.780 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.248 9.521 8.392 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.722 10.384 8.397 1.00 0.00 H new ATOM 0 HG SER A 91 -14.152 11.807 8.821 1.00 0.00 H new ATOM 1327 N VAL A 92 -10.977 11.424 5.630 1.00 0.00 N ATOM 1328 CA VAL A 92 -9.831 11.123 4.781 1.00 0.00 C ATOM 1329 C VAL A 92 -8.583 11.855 5.261 1.00 0.00 C ATOM 1330 O VAL A 92 -8.655 12.931 5.855 1.00 0.00 O ATOM 1331 CB VAL A 92 -10.104 11.504 3.313 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -11.216 10.641 2.736 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.452 12.981 3.203 1.00 0.00 C ATOM 0 H VAL A 92 -10.995 12.378 5.991 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.664 10.048 4.845 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.199 11.323 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.395 10.924 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.923 9.592 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.128 10.788 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.642 13.233 2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.343 13.190 3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.621 13.579 3.576 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.410 11.261 4.997 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.313 9.980 4.291 1.00 0.00 C ATOM 1345 C PRO A 93 -7.826 8.815 5.130 1.00 0.00 C ATOM 1346 O PRO A 93 -7.941 8.918 6.351 1.00 0.00 O ATOM 1347 CB PRO A 93 -5.811 9.832 4.032 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.161 10.641 5.099 1.00 0.00 C ATOM 1349 CD PRO A 93 -6.089 11.793 5.369 1.00 0.00 C ATOM 0 HA PRO A 93 -7.920 9.966 3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.502 8.788 4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.543 10.196 3.040 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.005 10.046 5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.182 10.996 4.778 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.058 12.097 6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.826 12.668 4.775 1.00 0.00 H new ATOM 1357 N THR A 94 -8.135 7.705 4.466 1.00 0.00 N ATOM 1358 CA THR A 94 -8.637 6.520 5.151 1.00 0.00 C ATOM 1359 C THR A 94 -8.473 5.275 4.286 1.00 0.00 C ATOM 1360 O THR A 94 -9.053 5.177 3.205 1.00 0.00 O ATOM 1361 CB THR A 94 -10.122 6.677 5.529 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.258 7.618 6.600 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.719 5.340 5.942 1.00 0.00 C ATOM 0 H THR A 94 -8.046 7.602 3.455 1.00 0.00 H new ATOM 0 HA THR A 94 -8.048 6.407 6.061 1.00 0.00 H new ATOM 0 HB THR A 94 -10.661 7.043 4.655 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.963 8.263 6.381 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.768 5.476 6.205 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.640 4.635 5.114 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.177 4.950 6.804 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.680 4.325 4.770 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.440 3.085 4.041 1.00 0.00 C ATOM 1373 C PHE A 95 -8.383 1.983 4.516 1.00 0.00 C ATOM 1374 O PHE A 95 -8.813 1.973 5.670 1.00 0.00 O ATOM 1375 CB PHE A 95 -5.987 2.639 4.217 1.00 0.00 C ATOM 1376 CG PHE A 95 -4.986 3.704 3.869 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.624 4.663 4.801 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.409 3.746 2.611 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -3.703 5.644 4.485 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.487 4.725 2.289 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.135 5.676 3.226 1.00 0.00 C ATOM 0 H PHE A 95 -7.193 4.390 5.664 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.631 3.271 2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.833 2.331 5.251 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.806 1.764 3.593 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.067 4.644 5.786 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.682 3.006 1.873 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.428 6.385 5.221 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.042 4.746 1.305 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.417 6.443 2.975 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.700 1.058 3.618 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.593 -0.049 3.943 1.00 0.00 C ATOM 1393 C LEU A 96 -9.074 -1.358 3.356 1.00 0.00 C ATOM 1394 O LEU A 96 -9.140 -1.578 2.146 1.00 0.00 O ATOM 1395 CB LEU A 96 -11.002 0.235 3.419 1.00 0.00 C ATOM 1396 CG LEU A 96 -11.896 1.082 4.324 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.194 1.434 3.614 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -12.182 0.351 5.628 1.00 0.00 C ATOM 0 H LEU A 96 -8.352 1.052 2.659 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.629 -0.148 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.915 0.737 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.500 -0.718 3.239 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.370 2.008 4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.818 2.037 4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -12.972 1.999 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.724 0.519 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.820 0.969 6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.687 -0.591 5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.244 0.150 6.146 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.559 -2.226 4.221 1.00 0.00 N ATOM 1411 CA PHE A 97 -8.030 -3.514 3.789 1.00 0.00 C ATOM 1412 C PHE A 97 -9.159 -4.511 3.543 1.00 0.00 C ATOM 1413 O PHE A 97 -9.986 -4.758 4.420 1.00 0.00 O ATOM 1414 CB PHE A 97 -7.063 -4.070 4.836 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.953 -3.122 5.190 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -6.128 -2.167 6.179 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.735 -3.185 4.533 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -5.108 -1.294 6.507 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.712 -2.314 4.857 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.899 -1.367 5.844 1.00 0.00 C ATOM 0 H PHE A 97 -8.497 -2.060 5.226 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.493 -3.362 2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.621 -4.317 5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.632 -4.999 4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.072 -2.104 6.699 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.583 -3.923 3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.256 -0.556 7.281 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.767 -2.374 4.338 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.101 -0.685 6.097 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.187 -5.079 2.342 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.214 -6.048 1.978 1.00 0.00 C ATOM 1432 C PHE A 98 -9.587 -7.369 1.543 1.00 0.00 C ATOM 1433 O PHE A 98 -8.833 -7.422 0.571 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.093 -5.494 0.855 1.00 0.00 C ATOM 1435 CG PHE A 98 -11.903 -4.296 1.263 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -13.064 -4.448 2.004 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.503 -3.019 0.906 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -13.811 -3.348 2.381 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.245 -1.915 1.281 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.402 -2.080 2.018 1.00 0.00 C ATOM 0 H PHE A 98 -8.510 -4.885 1.604 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.832 -6.232 2.857 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.461 -5.224 0.009 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.767 -6.279 0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.389 -5.437 2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -10.601 -2.884 0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.714 -3.480 2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -11.921 -0.924 0.998 1.00 0.00 H new ATOM 0 HZ PHE A 98 -13.985 -1.219 2.310 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.903 -8.435 2.271 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.372 -9.758 1.962 1.00 0.00 C ATOM 1452 C LYS A 99 -10.493 -10.717 1.573 1.00 0.00 C ATOM 1453 O LYS A 99 -11.371 -11.019 2.380 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.603 -10.314 3.162 1.00 0.00 C ATOM 1455 CG LYS A 99 -7.127 -9.959 3.157 1.00 0.00 C ATOM 1456 CD LYS A 99 -6.300 -11.024 2.456 1.00 0.00 C ATOM 1457 CE LYS A 99 -4.862 -11.031 2.953 1.00 0.00 C ATOM 1458 NZ LYS A 99 -4.789 -11.132 4.437 1.00 0.00 N ATOM 0 H LYS A 99 -10.524 -8.409 3.079 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.692 -9.661 1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.056 -9.937 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.707 -11.399 3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.984 -9.000 2.659 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.777 -9.841 4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.749 -12.003 2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.313 -10.847 1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.327 -11.868 2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.360 -10.120 2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.010 -11.767 4.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.620 -10.189 4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.686 -11.511 4.804 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.455 -11.192 0.333 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.468 -12.118 -0.162 1.00 0.00 C ATOM 1474 C ASN A 100 -12.864 -11.518 -0.030 1.00 0.00 C ATOM 1475 O ASN A 100 -13.810 -12.203 0.360 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.395 -13.442 0.602 1.00 0.00 C ATOM 1477 CG ASN A 100 -11.864 -14.618 -0.233 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -12.234 -14.459 -1.396 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -11.852 -15.806 0.359 1.00 0.00 N ATOM 0 H ASN A 100 -9.734 -10.952 -0.348 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.270 -12.304 -1.218 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.369 -13.616 0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.005 -13.373 1.502 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -12.158 -16.634 -0.153 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -11.537 -15.891 1.325 1.00 0.00 H new ATOM 1486 N SER A 101 -12.985 -10.236 -0.357 1.00 0.00 N ATOM 1487 CA SER A 101 -14.265 -9.542 -0.272 1.00 0.00 C ATOM 1488 C SER A 101 -14.755 -9.481 1.171 1.00 0.00 C ATOM 1489 O SER A 101 -15.949 -9.608 1.438 1.00 0.00 O ATOM 1490 CB SER A 101 -15.307 -10.242 -1.147 1.00 0.00 C ATOM 1491 OG SER A 101 -14.899 -10.270 -2.504 1.00 0.00 O ATOM 0 H SER A 101 -12.212 -9.656 -0.683 1.00 0.00 H new ATOM 0 HA SER A 101 -14.123 -8.523 -0.632 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.462 -11.260 -0.790 1.00 0.00 H new ATOM 0 HB3 SER A 101 -16.263 -9.726 -1.062 1.00 0.00 H new ATOM 0 HG SER A 101 -15.581 -10.724 -3.041 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.822 -9.284 2.098 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.158 -9.206 3.515 1.00 0.00 C ATOM 1499 C GLN A 102 -13.150 -8.344 4.267 1.00 0.00 C ATOM 1500 O GLN A 102 -12.009 -8.752 4.485 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.206 -10.607 4.127 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.185 -11.541 3.433 1.00 0.00 C ATOM 1503 CD GLN A 102 -15.060 -12.975 3.909 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -14.356 -13.261 4.878 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -15.746 -13.886 3.229 1.00 0.00 N ATOM 0 H GLN A 102 -12.829 -9.176 1.893 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.141 -8.744 3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.209 -11.046 4.089 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.478 -10.526 5.179 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.202 -11.191 3.609 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.017 -11.503 2.357 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -16.317 -13.604 2.432 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -15.702 -14.867 3.504 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.578 -7.149 4.660 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.713 -6.228 5.389 1.00 0.00 C ATOM 1516 C LYS A 103 -12.174 -6.878 6.659 1.00 0.00 C ATOM 1517 O LYS A 103 -12.941 -7.301 7.525 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.478 -4.950 5.742 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.612 -3.884 6.390 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.440 -2.692 6.842 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.290 -3.032 8.056 1.00 0.00 C ATOM 1522 NZ LYS A 103 -15.602 -3.621 7.668 1.00 0.00 N ATOM 0 H LYS A 103 -14.519 -6.795 4.486 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.870 -5.974 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.925 -4.542 4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.297 -5.201 6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.088 -4.310 7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.851 -3.553 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.779 -1.859 7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.084 -2.365 6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -13.751 -3.734 8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.457 -2.131 8.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.372 -3.050 8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.685 -3.631 6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.666 -4.594 8.030 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.852 -6.952 6.764 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.211 -7.548 7.930 1.00 0.00 C ATOM 1538 C ILE A 104 -9.439 -6.503 8.728 1.00 0.00 C ATOM 1539 O ILE A 104 -9.241 -6.649 9.934 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.250 -8.682 7.527 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.206 -8.166 6.534 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -10.026 -9.847 6.931 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -6.979 -9.045 6.436 1.00 0.00 C ATOM 0 H ILE A 104 -10.204 -6.607 6.056 1.00 0.00 H new ATOM 0 HA ILE A 104 -11.007 -7.960 8.550 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.732 -9.034 8.419 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.664 -8.084 5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.901 -7.162 6.829 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -9.333 -10.640 6.651 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.734 -10.227 7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.567 -9.509 6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.283 -8.618 5.714 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.497 -9.108 7.412 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.272 -10.043 6.111 1.00 0.00 H new ATOM 1555 N ASP A 105 -9.007 -5.447 8.047 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.259 -4.374 8.692 1.00 0.00 C ATOM 1557 C ASP A 105 -8.686 -3.013 8.151 1.00 0.00 C ATOM 1558 O ASP A 105 -9.386 -2.927 7.143 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.757 -4.573 8.482 1.00 0.00 C ATOM 1560 CG ASP A 105 -5.926 -3.596 9.289 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -5.886 -3.734 10.529 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -5.315 -2.692 8.681 1.00 0.00 O ATOM 0 H ASP A 105 -9.162 -5.311 7.048 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.475 -4.404 9.760 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.486 -5.592 8.759 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.522 -4.458 7.424 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.259 -1.953 8.829 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.599 -0.596 8.418 1.00 0.00 C ATOM 1569 C ARG A 106 -7.674 0.421 9.082 1.00 0.00 C ATOM 1570 O ARG A 106 -7.347 0.300 10.263 1.00 0.00 O ATOM 1571 CB ARG A 106 -10.054 -0.283 8.769 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.362 1.205 8.820 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.771 1.464 9.329 1.00 0.00 C ATOM 1574 NE ARG A 106 -12.332 2.698 8.784 1.00 0.00 N ATOM 1575 CZ ARG A 106 -12.119 3.898 9.313 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -11.363 4.025 10.395 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -12.664 4.974 8.759 1.00 0.00 N ATOM 0 H ARG A 106 -7.677 -2.007 9.665 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.471 -0.528 7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.706 -0.755 8.034 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.289 -0.727 9.736 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.642 1.705 9.468 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.248 1.636 7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.413 0.625 9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.758 1.521 10.417 1.00 0.00 H new ATOM 0 HE ARG A 106 -12.919 2.635 7.952 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.943 3.200 10.823 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -11.201 4.948 10.799 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.246 4.880 7.927 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -12.500 5.895 9.165 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.256 1.422 8.315 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.369 2.460 8.828 1.00 0.00 C ATOM 1593 C LEU A 107 -6.949 3.847 8.572 1.00 0.00 C ATOM 1594 O LEU A 107 -7.297 4.186 7.441 1.00 0.00 O ATOM 1595 CB LEU A 107 -4.988 2.344 8.180 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.805 2.796 9.036 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.491 2.488 8.336 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -3.910 4.282 9.349 1.00 0.00 C ATOM 0 H LEU A 107 -7.517 1.537 7.336 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.271 2.321 9.905 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.828 1.304 7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.990 2.929 7.260 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.830 2.245 9.976 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.660 2.817 8.960 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.413 1.414 8.164 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.456 3.012 7.381 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.060 4.586 9.959 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.911 4.851 8.419 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.834 4.475 9.893 1.00 0.00 H new ATOM 1610 N ASP A 108 -7.048 4.645 9.629 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.583 5.998 9.518 1.00 0.00 C ATOM 1612 C ASP A 108 -6.516 7.033 9.860 1.00 0.00 C ATOM 1613 O ASP A 108 -5.784 6.886 10.837 1.00 0.00 O ATOM 1614 CB ASP A 108 -8.790 6.169 10.441 1.00 0.00 C ATOM 1615 CG ASP A 108 -8.601 5.476 11.777 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -7.437 5.282 12.185 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -9.618 5.130 12.414 1.00 0.00 O ATOM 0 H ASP A 108 -6.765 4.379 10.572 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.899 6.154 8.487 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -8.968 7.231 10.608 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.678 5.770 9.951 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.433 8.081 9.045 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.451 9.125 9.276 1.00 0.00 C ATOM 1624 C GLY A 109 -4.223 8.971 8.401 1.00 0.00 C ATOM 1625 O GLY A 109 -3.765 7.856 8.155 1.00 0.00 O ATOM 0 H GLY A 109 -7.028 8.225 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.908 10.097 9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.151 9.111 10.324 1.00 0.00 H new ATOM 1629 N ALA A 110 -3.690 10.093 7.929 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.508 10.077 7.077 1.00 0.00 C ATOM 1631 C ALA A 110 -1.308 9.491 7.813 1.00 0.00 C ATOM 1632 O ALA A 110 -0.603 10.198 8.533 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.193 11.483 6.586 1.00 0.00 C ATOM 0 H ALA A 110 -4.058 11.024 8.122 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.719 9.442 6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.308 11.457 5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.038 11.867 6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.007 12.134 7.440 1.00 0.00 H new ATOM 1639 N HIS A 111 -1.083 8.194 7.628 1.00 0.00 N ATOM 1640 CA HIS A 111 0.033 7.512 8.276 1.00 0.00 C ATOM 1641 C HIS A 111 0.943 6.857 7.241 1.00 0.00 C ATOM 1642 O HIS A 111 0.557 5.889 6.586 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.485 6.460 9.256 1.00 0.00 C ATOM 1644 CG HIS A 111 -1.320 7.030 10.362 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -0.784 7.709 11.436 1.00 0.00 N ATOM 1646 CD2 HIS A 111 -2.660 7.021 10.555 1.00 0.00 C ATOM 1647 CE1 HIS A 111 -1.758 8.092 12.242 1.00 0.00 C ATOM 1648 NE2 HIS A 111 -2.906 7.687 11.730 1.00 0.00 N ATOM 0 H HIS A 111 -1.657 7.594 7.036 1.00 0.00 H new ATOM 0 HA HIS A 111 0.612 8.255 8.825 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.075 5.725 8.709 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.363 5.930 9.689 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.398 6.573 9.906 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.636 8.643 13.163 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.826 7.844 12.141 1.00 0.00 H new ATOM 1657 N ALA A 112 2.152 7.391 7.101 1.00 0.00 N ATOM 1658 CA ALA A 112 3.116 6.857 6.148 1.00 0.00 C ATOM 1659 C ALA A 112 3.625 5.489 6.590 1.00 0.00 C ATOM 1660 O ALA A 112 3.486 4.490 5.883 1.00 0.00 O ATOM 1661 CB ALA A 112 4.278 7.824 5.975 1.00 0.00 C ATOM 0 H ALA A 112 2.487 8.193 7.636 1.00 0.00 H new ATOM 0 HA ALA A 112 2.613 6.736 5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.991 7.412 5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.905 8.779 5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.772 7.974 6.935 1.00 0.00 H new ATOM 1667 N PRO A 113 4.231 5.440 7.786 1.00 0.00 N ATOM 1668 CA PRO A 113 4.773 4.200 8.348 1.00 0.00 C ATOM 1669 C PRO A 113 3.677 3.219 8.753 1.00 0.00 C ATOM 1670 O PRO A 113 3.713 2.047 8.380 1.00 0.00 O ATOM 1671 CB PRO A 113 5.545 4.677 9.580 1.00 0.00 C ATOM 1672 CG PRO A 113 4.890 5.958 9.966 1.00 0.00 C ATOM 1673 CD PRO A 113 4.432 6.591 8.681 1.00 0.00 C ATOM 0 HA PRO A 113 5.386 3.659 7.627 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.492 3.947 10.387 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.601 4.825 9.353 1.00 0.00 H new ATOM 0 HG2 PRO A 113 4.048 5.780 10.635 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.586 6.609 10.495 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.512 7.159 8.818 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.177 7.282 8.286 1.00 0.00 H new ATOM 1681 N GLU A 114 2.706 3.707 9.517 1.00 0.00 N ATOM 1682 CA GLU A 114 1.600 2.872 9.972 1.00 0.00 C ATOM 1683 C GLU A 114 0.998 2.086 8.811 1.00 0.00 C ATOM 1684 O GLU A 114 0.733 0.889 8.928 1.00 0.00 O ATOM 1685 CB GLU A 114 0.521 3.732 10.634 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.235 3.014 11.740 1.00 0.00 C ATOM 1687 CD GLU A 114 0.556 2.932 13.030 1.00 0.00 C ATOM 1688 OE1 GLU A 114 0.851 3.996 13.614 1.00 0.00 O ATOM 1689 OE2 GLU A 114 0.881 1.805 13.457 1.00 0.00 O ATOM 0 H GLU A 114 2.662 4.675 9.834 1.00 0.00 H new ATOM 0 HA GLU A 114 1.990 2.164 10.704 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.984 4.629 11.045 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.188 4.059 9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.175 3.532 11.927 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.487 2.007 11.408 1.00 0.00 H new ATOM 1696 N LEU A 115 0.785 2.767 7.691 1.00 0.00 N ATOM 1697 CA LEU A 115 0.214 2.134 6.507 1.00 0.00 C ATOM 1698 C LEU A 115 1.029 0.912 6.097 1.00 0.00 C ATOM 1699 O LEU A 115 0.506 -0.201 6.023 1.00 0.00 O ATOM 1700 CB LEU A 115 0.153 3.133 5.350 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.326 2.577 4.009 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -1.804 2.225 4.074 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.064 3.577 2.892 1.00 0.00 C ATOM 0 H LEU A 115 0.999 3.758 7.577 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.797 1.808 6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.506 3.952 5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.147 3.558 5.210 1.00 0.00 H new ATOM 0 HG LEU A 115 0.235 1.667 3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.127 1.831 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.965 1.473 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.381 3.119 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.411 3.164 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.598 4.504 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.005 3.780 2.829 1.00 0.00 H new ATOM 1715 N THR A 116 2.314 1.125 5.833 1.00 0.00 N ATOM 1716 CA THR A 116 3.202 0.041 5.431 1.00 0.00 C ATOM 1717 C THR A 116 3.023 -1.178 6.329 1.00 0.00 C ATOM 1718 O THR A 116 2.605 -2.242 5.873 1.00 0.00 O ATOM 1719 CB THR A 116 4.678 0.480 5.469 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.859 1.660 4.677 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.585 -0.627 4.955 1.00 0.00 C ATOM 0 H THR A 116 2.763 2.039 5.890 1.00 0.00 H new ATOM 0 HA THR A 116 2.935 -0.223 4.407 1.00 0.00 H new ATOM 0 HB THR A 116 4.944 0.694 6.504 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.800 1.934 4.708 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.622 -0.294 4.991 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.467 -1.513 5.578 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.317 -0.868 3.926 1.00 0.00 H new ATOM 1729 N LYS A 117 3.341 -1.016 7.609 1.00 0.00 N ATOM 1730 CA LYS A 117 3.214 -2.102 8.573 1.00 0.00 C ATOM 1731 C LYS A 117 1.995 -2.964 8.263 1.00 0.00 C ATOM 1732 O LYS A 117 2.120 -4.155 7.976 1.00 0.00 O ATOM 1733 CB LYS A 117 3.107 -1.541 9.993 1.00 0.00 C ATOM 1734 CG LYS A 117 4.385 -0.883 10.484 1.00 0.00 C ATOM 1735 CD LYS A 117 4.132 -0.024 11.712 1.00 0.00 C ATOM 1736 CE LYS A 117 5.408 0.653 12.191 1.00 0.00 C ATOM 1737 NZ LYS A 117 5.699 1.895 11.423 1.00 0.00 N ATOM 0 H LYS A 117 3.689 -0.142 8.003 1.00 0.00 H new ATOM 0 HA LYS A 117 4.106 -2.725 8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.297 -0.813 10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.839 -2.348 10.675 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.123 -1.650 10.721 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.808 -0.268 9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.382 0.733 11.480 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.724 -0.642 12.512 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.316 0.894 13.250 1.00 0.00 H new ATOM 0 HE3 LYS A 117 6.245 -0.039 12.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.726 2.055 11.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.341 1.794 10.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 5.233 2.704 11.882 1.00 0.00 H new ATOM 1751 N LYS A 118 0.815 -2.356 8.320 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.428 -3.067 8.043 1.00 0.00 C ATOM 1753 C LYS A 118 -0.380 -3.731 6.671 1.00 0.00 C ATOM 1754 O LYS A 118 -0.643 -4.926 6.539 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.616 -2.105 8.115 1.00 0.00 C ATOM 1756 CG LYS A 118 -2.077 -1.812 9.532 1.00 0.00 C ATOM 1757 CD LYS A 118 -3.026 -0.626 9.576 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.635 -0.451 10.959 1.00 0.00 C ATOM 1759 NZ LYS A 118 -4.796 -1.358 11.173 1.00 0.00 N ATOM 0 H LYS A 118 0.693 -1.371 8.556 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.550 -3.843 8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.344 -1.168 7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.448 -2.526 7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.573 -2.691 9.943 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -1.211 -1.610 10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.490 0.281 9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.820 -0.767 8.843 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -2.877 -0.647 11.717 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.954 0.583 11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.033 -1.385 12.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.614 -1.008 10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.553 -2.316 10.849 1.00 0.00 H new ATOM 1773 N VAL A 119 -0.040 -2.949 5.651 1.00 0.00 N ATOM 1774 CA VAL A 119 0.045 -3.462 4.289 1.00 0.00 C ATOM 1775 C VAL A 119 0.870 -4.743 4.235 1.00 0.00 C ATOM 1776 O VAL A 119 0.355 -5.811 3.907 1.00 0.00 O ATOM 1777 CB VAL A 119 0.665 -2.424 3.336 1.00 0.00 C ATOM 1778 CG1 VAL A 119 0.778 -2.990 1.929 1.00 0.00 C ATOM 1779 CG2 VAL A 119 -0.153 -1.142 3.339 1.00 0.00 C ATOM 0 H VAL A 119 0.181 -1.957 5.742 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.974 -3.676 3.967 1.00 0.00 H new ATOM 0 HB VAL A 119 1.669 -2.188 3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.218 -2.242 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.410 -3.878 1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.214 -3.257 1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.300 -0.420 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.170 -1.359 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.176 -0.727 4.347 1.00 0.00 H new ATOM 1789 N GLN A 120 2.154 -4.627 4.560 1.00 0.00 N ATOM 1790 CA GLN A 120 3.051 -5.777 4.548 1.00 0.00 C ATOM 1791 C GLN A 120 2.510 -6.898 5.428 1.00 0.00 C ATOM 1792 O GLN A 120 2.392 -8.043 4.990 1.00 0.00 O ATOM 1793 CB GLN A 120 4.446 -5.367 5.024 1.00 0.00 C ATOM 1794 CG GLN A 120 5.028 -4.190 4.258 1.00 0.00 C ATOM 1795 CD GLN A 120 5.826 -4.622 3.043 1.00 0.00 C ATOM 1796 OE1 GLN A 120 6.079 -5.811 2.843 1.00 0.00 O ATOM 1797 NE2 GLN A 120 6.228 -3.657 2.224 1.00 0.00 N ATOM 0 H GLN A 120 2.596 -3.750 4.834 1.00 0.00 H new ATOM 0 HA GLN A 120 3.117 -6.144 3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.400 -5.113 6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.118 -6.220 4.930 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.219 -3.532 3.941 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.669 -3.610 4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 120 5.996 -2.685 2.428 1.00 0.00 H new ATOM 0 HE22 GLN A 120 6.769 -3.888 1.391 1.00 0.00 H new ATOM 1806 N ARG A 121 2.182 -6.563 6.672 1.00 0.00 N ATOM 1807 CA ARG A 121 1.655 -7.542 7.614 1.00 0.00 C ATOM 1808 C ARG A 121 0.570 -8.394 6.962 1.00 0.00 C ATOM 1809 O ARG A 121 0.642 -9.624 6.971 1.00 0.00 O ATOM 1810 CB ARG A 121 1.093 -6.840 8.851 1.00 0.00 C ATOM 1811 CG ARG A 121 0.375 -7.777 9.810 1.00 0.00 C ATOM 1812 CD ARG A 121 -0.576 -7.018 10.722 1.00 0.00 C ATOM 1813 NE ARG A 121 -0.886 -7.770 11.935 1.00 0.00 N ATOM 1814 CZ ARG A 121 -0.029 -7.936 12.937 1.00 0.00 C ATOM 1815 NH1 ARG A 121 1.184 -7.406 12.870 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -0.386 -8.633 14.008 1.00 0.00 N ATOM 0 H ARG A 121 2.272 -5.620 7.050 1.00 0.00 H new ATOM 0 HA ARG A 121 2.473 -8.195 7.916 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.908 -6.347 9.380 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.402 -6.060 8.533 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.181 -8.524 9.243 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.107 -8.314 10.412 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.132 -6.060 10.993 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.499 -6.801 10.184 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.811 -8.191 12.018 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.461 -6.869 12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.840 -7.535 13.640 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.319 -9.042 14.063 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.272 -8.760 14.777 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.435 -7.733 6.398 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.536 -8.430 5.742 1.00 0.00 C ATOM 1832 C HIS A 122 -1.077 -9.054 4.428 1.00 0.00 C ATOM 1833 O HIS A 122 -1.668 -10.021 3.949 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.696 -7.467 5.485 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.123 -6.706 6.702 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.504 -7.318 7.877 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.227 -5.374 6.922 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -3.826 -6.396 8.767 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.665 -5.208 8.213 1.00 0.00 N ATOM 0 H HIS A 122 -0.510 -6.716 6.382 1.00 0.00 H new ATOM 0 HA HIS A 122 -1.875 -9.227 6.404 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.405 -6.760 4.708 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.547 -8.030 5.102 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -3.533 -8.325 8.035 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -3.007 -4.589 6.214 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.163 -6.582 9.776 1.00 0.00 H new ATOM 1848 N ALA A 123 -0.020 -8.494 3.849 1.00 0.00 N ATOM 1849 CA ALA A 123 0.519 -8.996 2.592 1.00 0.00 C ATOM 1850 C ALA A 123 1.535 -10.107 2.834 1.00 0.00 C ATOM 1851 O ALA A 123 2.382 -10.383 1.985 1.00 0.00 O ATOM 1852 CB ALA A 123 1.153 -7.863 1.798 1.00 0.00 C ATOM 0 H ALA A 123 0.480 -7.692 4.231 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.306 -9.413 2.014 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.551 -8.253 0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.401 -7.104 1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 123 1.961 -7.419 2.379 1.00 0.00 H new