USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 676 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 14 LYS NZ :NH3+ -166:sc= -0.0186 (180deg=-0.183) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00464 USER MOD Single : A 17 GLN : amide:sc= -2.7 K(o=-2.7,f=-3.6!) USER MOD Single : A 18 SER OG : rot 36:sc= 0.387 USER MOD Single : A 20 HIS : no HE2:sc= -2.47 K(o=-2.5,f=-4!) USER MOD Single : A 23 LYS NZ :NH3+ -116:sc= 0.103 (180deg=-6.84!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 90:sc= -0.575 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 158:sc= 1.19 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 43:sc= 0.0774 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -2.76! C(o=-2.8!,f=-5.9!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0863 USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0143) USER MOD Single : A 54 THR OG1 : rot 9:sc= 0.49 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -1.36 K(o=-1.4,f=-4!) USER MOD Single : A 73 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.0037) USER MOD Single : A 80 ASN : amide:sc= -0.945 X(o=-0.94,f=-1.3) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 154:sc= -0.0546 (180deg=-1.08) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0939 K(o=-0.094,f=-1.4!) USER MOD Single : A 92 SER OG : rot 32:sc= 0.0669 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 14 -18.054 -4.059 -13.924 1.00 0.00 N ATOM 160 CA LYS A 14 -16.930 -3.188 -13.603 1.00 0.00 C ATOM 161 C LYS A 14 -15.720 -3.519 -14.471 1.00 0.00 C ATOM 162 O LYS A 14 -15.463 -4.683 -14.777 1.00 0.00 O ATOM 163 CB LYS A 14 -16.561 -3.319 -12.124 1.00 0.00 C ATOM 164 CG LYS A 14 -17.509 -2.583 -11.193 1.00 0.00 C ATOM 165 CD LYS A 14 -16.943 -2.482 -9.787 1.00 0.00 C ATOM 166 CE LYS A 14 -16.930 -3.835 -9.093 1.00 0.00 C ATOM 167 NZ LYS A 14 -18.306 -4.316 -8.787 1.00 0.00 N ATOM 0 HA LYS A 14 -17.231 -2.160 -13.806 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.547 -4.375 -11.854 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.551 -2.938 -11.975 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.699 -1.583 -11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -18.467 -3.101 -11.164 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.929 -2.084 -9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.537 -1.779 -9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.424 -4.563 -9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.357 -3.763 -8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.255 -5.109 -8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.859 -3.542 -8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.766 -4.634 -9.664 1.00 0.00 H new ATOM 181 N VAL A 15 -14.979 -2.488 -14.864 1.00 0.00 N ATOM 182 CA VAL A 15 -13.794 -2.670 -15.694 1.00 0.00 C ATOM 183 C VAL A 15 -12.527 -2.295 -14.934 1.00 0.00 C ATOM 184 O VAL A 15 -12.557 -1.464 -14.026 1.00 0.00 O ATOM 185 CB VAL A 15 -13.876 -1.827 -16.981 1.00 0.00 C ATOM 186 CG1 VAL A 15 -15.051 -2.272 -17.838 1.00 0.00 C ATOM 187 CG2 VAL A 15 -13.982 -0.348 -16.642 1.00 0.00 C ATOM 0 H VAL A 15 -15.178 -1.518 -14.621 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.754 -3.726 -15.961 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.962 -1.981 -17.554 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.092 -1.665 -18.742 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.927 -3.320 -18.110 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -15.977 -2.150 -17.277 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.039 0.233 -17.562 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.879 -0.174 -16.047 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.104 -0.041 -16.073 1.00 0.00 H new ATOM 197 N THR A 16 -11.413 -2.915 -15.310 1.00 0.00 N ATOM 198 CA THR A 16 -10.134 -2.648 -14.663 1.00 0.00 C ATOM 199 C THR A 16 -9.400 -1.501 -15.349 1.00 0.00 C ATOM 200 O THR A 16 -9.349 -1.431 -16.576 1.00 0.00 O ATOM 201 CB THR A 16 -9.231 -3.895 -14.667 1.00 0.00 C ATOM 202 OG1 THR A 16 -9.169 -4.451 -15.985 1.00 0.00 O ATOM 203 CG2 THR A 16 -9.750 -4.943 -13.694 1.00 0.00 C ATOM 0 H THR A 16 -11.370 -3.606 -16.059 1.00 0.00 H new ATOM 0 HA THR A 16 -10.353 -2.371 -13.632 1.00 0.00 H new ATOM 0 HB THR A 16 -8.232 -3.593 -14.353 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.591 -5.243 -15.979 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.096 -5.814 -13.715 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.768 -4.527 -12.687 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.758 -5.240 -13.982 1.00 0.00 H new ATOM 211 N GLN A 17 -8.834 -0.604 -14.548 1.00 0.00 N ATOM 212 CA GLN A 17 -8.102 0.540 -15.079 1.00 0.00 C ATOM 213 C GLN A 17 -6.715 0.638 -14.453 1.00 0.00 C ATOM 214 O GLN A 17 -6.580 0.759 -13.235 1.00 0.00 O ATOM 215 CB GLN A 17 -8.881 1.832 -14.826 1.00 0.00 C ATOM 216 CG GLN A 17 -9.081 2.143 -13.352 1.00 0.00 C ATOM 217 CD GLN A 17 -10.003 3.325 -13.124 1.00 0.00 C ATOM 218 OE1 GLN A 17 -10.746 3.728 -14.019 1.00 0.00 O ATOM 219 NE2 GLN A 17 -9.958 3.888 -11.923 1.00 0.00 N ATOM 0 H GLN A 17 -8.868 -0.647 -13.529 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.986 0.398 -16.153 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.354 2.662 -15.296 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.855 1.759 -15.309 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.491 1.266 -12.852 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.114 2.348 -12.893 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.327 3.521 -11.211 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.555 4.688 -11.712 1.00 0.00 H new ATOM 228 N SER A 18 -5.687 0.583 -15.293 1.00 0.00 N ATOM 229 CA SER A 18 -4.309 0.661 -14.822 1.00 0.00 C ATOM 230 C SER A 18 -3.892 2.112 -14.600 1.00 0.00 C ATOM 231 O SER A 18 -3.774 2.887 -15.550 1.00 0.00 O ATOM 232 CB SER A 18 -3.366 -0.005 -15.825 1.00 0.00 C ATOM 233 OG SER A 18 -3.508 0.565 -17.115 1.00 0.00 O ATOM 0 H SER A 18 -5.782 0.485 -16.304 1.00 0.00 H new ATOM 0 HA SER A 18 -4.246 0.133 -13.870 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.335 0.104 -15.487 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.575 -1.074 -15.871 1.00 0.00 H new ATOM 0 HG SER A 18 -3.678 1.526 -17.031 1.00 0.00 H new ATOM 239 N ILE A 19 -3.671 2.471 -13.340 1.00 0.00 N ATOM 240 CA ILE A 19 -3.266 3.828 -12.994 1.00 0.00 C ATOM 241 C ILE A 19 -1.800 3.875 -12.578 1.00 0.00 C ATOM 242 O ILE A 19 -1.436 3.423 -11.492 1.00 0.00 O ATOM 243 CB ILE A 19 -4.129 4.399 -11.853 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.593 4.493 -12.290 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.609 5.763 -11.427 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.574 4.383 -11.144 1.00 0.00 C ATOM 0 H ILE A 19 -3.765 1.842 -12.543 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.408 4.437 -13.887 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.067 3.726 -10.998 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.750 5.442 -12.803 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.800 3.703 -13.012 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.229 6.153 -10.620 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.580 5.668 -11.080 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.644 6.447 -12.275 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.592 4.458 -11.528 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.444 3.423 -10.645 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.394 5.189 -10.433 1.00 0.00 H new ATOM 258 N HIS A 20 -0.961 4.427 -13.450 1.00 0.00 N ATOM 259 CA HIS A 20 0.467 4.536 -13.173 1.00 0.00 C ATOM 260 C HIS A 20 0.831 5.954 -12.744 1.00 0.00 C ATOM 261 O HIS A 20 0.708 6.899 -13.524 1.00 0.00 O ATOM 262 CB HIS A 20 1.279 4.140 -14.406 1.00 0.00 C ATOM 263 CG HIS A 20 1.186 5.129 -15.527 1.00 0.00 C ATOM 264 ND1 HIS A 20 2.282 5.785 -16.045 1.00 0.00 N ATOM 265 CD2 HIS A 20 0.118 5.570 -16.232 1.00 0.00 C ATOM 266 CE1 HIS A 20 1.892 6.589 -17.018 1.00 0.00 C ATOM 267 NE2 HIS A 20 0.583 6.477 -17.152 1.00 0.00 N ATOM 0 H HIS A 20 -1.246 4.805 -14.354 1.00 0.00 H new ATOM 0 HA HIS A 20 0.706 3.855 -12.356 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.325 4.024 -14.121 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.936 3.168 -14.760 1.00 0.00 H new ATOM 0 HD1 HIS A 20 3.244 5.668 -15.727 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.909 5.265 -16.096 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.535 7.229 -17.604 1.00 0.00 H new ATOM 276 N ILE A 21 1.276 6.095 -11.500 1.00 0.00 N ATOM 277 CA ILE A 21 1.658 7.398 -10.968 1.00 0.00 C ATOM 278 C ILE A 21 3.168 7.599 -11.038 1.00 0.00 C ATOM 279 O ILE A 21 3.937 6.766 -10.560 1.00 0.00 O ATOM 280 CB ILE A 21 1.195 7.568 -9.509 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.302 7.273 -9.389 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.505 8.973 -9.016 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.708 6.758 -8.026 1.00 0.00 C ATOM 0 H ILE A 21 1.381 5.323 -10.841 1.00 0.00 H new ATOM 0 HA ILE A 21 1.165 8.148 -11.586 1.00 0.00 H new ATOM 0 HB ILE A 21 1.737 6.857 -8.885 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.862 8.182 -9.607 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.581 6.538 -10.144 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.172 9.078 -7.983 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.579 9.149 -9.070 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.986 9.700 -9.640 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.782 6.570 -8.013 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.175 5.831 -7.814 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.460 7.501 -7.268 1.00 0.00 H new ATOM 295 N GLU A 22 3.584 8.712 -11.634 1.00 0.00 N ATOM 296 CA GLU A 22 5.003 9.023 -11.765 1.00 0.00 C ATOM 297 C GLU A 22 5.323 10.375 -11.134 1.00 0.00 C ATOM 298 O GLU A 22 4.699 11.387 -11.455 1.00 0.00 O ATOM 299 CB GLU A 22 5.414 9.024 -13.238 1.00 0.00 C ATOM 300 CG GLU A 22 5.104 7.722 -13.958 1.00 0.00 C ATOM 301 CD GLU A 22 5.213 7.849 -15.465 1.00 0.00 C ATOM 302 OE1 GLU A 22 6.043 8.655 -15.934 1.00 0.00 O ATOM 303 OE2 GLU A 22 4.468 7.142 -16.175 1.00 0.00 O ATOM 0 H GLU A 22 2.960 9.413 -12.033 1.00 0.00 H new ATOM 0 HA GLU A 22 5.568 8.253 -11.239 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.904 9.842 -13.748 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.484 9.222 -13.308 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.789 6.948 -13.612 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.097 7.397 -13.696 1.00 0.00 H new ATOM 310 N LYS A 23 6.301 10.385 -10.235 1.00 0.00 N ATOM 311 CA LYS A 23 6.707 11.611 -9.558 1.00 0.00 C ATOM 312 C LYS A 23 7.919 12.235 -10.243 1.00 0.00 C ATOM 313 O LYS A 23 8.847 11.532 -10.644 1.00 0.00 O ATOM 314 CB LYS A 23 7.028 11.326 -8.090 1.00 0.00 C ATOM 315 CG LYS A 23 5.898 10.640 -7.342 1.00 0.00 C ATOM 316 CD LYS A 23 5.928 10.972 -5.860 1.00 0.00 C ATOM 317 CE LYS A 23 5.186 12.267 -5.564 1.00 0.00 C ATOM 318 NZ LYS A 23 3.746 12.027 -5.270 1.00 0.00 N ATOM 0 H LYS A 23 6.828 9.557 -9.958 1.00 0.00 H new ATOM 0 HA LYS A 23 5.878 12.317 -9.611 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.920 10.701 -8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.266 12.265 -7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.941 10.947 -7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.974 9.561 -7.476 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.478 10.156 -5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.962 11.059 -5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.652 12.766 -4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.275 12.940 -6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.162 12.480 -6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.559 11.004 -5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.510 12.429 -4.340 1.00 0.00 H new ATOM 332 N SER A 24 7.904 13.558 -10.373 1.00 0.00 N ATOM 333 CA SER A 24 9.002 14.275 -11.011 1.00 0.00 C ATOM 334 C SER A 24 10.215 14.345 -10.089 1.00 0.00 C ATOM 335 O SER A 24 11.312 13.924 -10.455 1.00 0.00 O ATOM 336 CB SER A 24 8.559 15.688 -11.398 1.00 0.00 C ATOM 337 OG SER A 24 9.421 16.243 -12.376 1.00 0.00 O ATOM 0 H SER A 24 7.144 14.155 -10.045 1.00 0.00 H new ATOM 0 HA SER A 24 9.284 13.730 -11.912 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.539 15.660 -11.781 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.550 16.325 -10.513 1.00 0.00 H new ATOM 0 HG SER A 24 9.115 17.145 -12.607 1.00 0.00 H new ATOM 343 N ASP A 25 10.009 14.879 -8.890 1.00 0.00 N ATOM 344 CA ASP A 25 11.084 15.004 -7.914 1.00 0.00 C ATOM 345 C ASP A 25 10.782 14.182 -6.665 1.00 0.00 C ATOM 346 O ASP A 25 10.243 14.696 -5.684 1.00 0.00 O ATOM 347 CB ASP A 25 11.291 16.472 -7.535 1.00 0.00 C ATOM 348 CG ASP A 25 11.979 17.261 -8.632 1.00 0.00 C ATOM 349 OD1 ASP A 25 11.676 17.016 -9.818 1.00 0.00 O ATOM 350 OD2 ASP A 25 12.822 18.122 -8.303 1.00 0.00 O ATOM 0 H ASP A 25 9.107 15.232 -8.571 1.00 0.00 H new ATOM 0 HA ASP A 25 11.999 14.622 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.325 16.927 -7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.885 16.529 -6.623 1.00 0.00 H new ATOM 355 N THR A 26 11.132 12.900 -6.707 1.00 0.00 N ATOM 356 CA THR A 26 10.897 12.006 -5.581 1.00 0.00 C ATOM 357 C THR A 26 11.599 12.507 -4.324 1.00 0.00 C ATOM 358 O THR A 26 11.050 12.438 -3.225 1.00 0.00 O ATOM 359 CB THR A 26 11.379 10.575 -5.889 1.00 0.00 C ATOM 360 OG1 THR A 26 10.862 10.146 -7.153 1.00 0.00 O ATOM 361 CG2 THR A 26 10.937 9.609 -4.800 1.00 0.00 C ATOM 0 H THR A 26 11.580 12.458 -7.510 1.00 0.00 H new ATOM 0 HA THR A 26 9.821 11.990 -5.410 1.00 0.00 H new ATOM 0 HB THR A 26 12.468 10.582 -5.926 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.490 10.392 -7.864 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.289 8.605 -5.039 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.356 9.922 -3.844 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.849 9.606 -4.736 1.00 0.00 H new ATOM 369 N ALA A 27 12.817 13.012 -4.494 1.00 0.00 N ATOM 370 CA ALA A 27 13.593 13.527 -3.374 1.00 0.00 C ATOM 371 C ALA A 27 12.689 14.177 -2.332 1.00 0.00 C ATOM 372 O ALA A 27 12.756 13.850 -1.147 1.00 0.00 O ATOM 373 CB ALA A 27 14.634 14.523 -3.866 1.00 0.00 C ATOM 0 H ALA A 27 13.287 13.075 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 27 14.103 12.687 -2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.206 14.900 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.307 14.030 -4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.135 15.354 -4.365 1.00 0.00 H new ATOM 379 N ALA A 28 11.844 15.099 -2.781 1.00 0.00 N ATOM 380 CA ALA A 28 10.925 15.793 -1.887 1.00 0.00 C ATOM 381 C ALA A 28 9.493 15.308 -2.086 1.00 0.00 C ATOM 382 O ALA A 28 8.875 14.773 -1.166 1.00 0.00 O ATOM 383 CB ALA A 28 11.010 17.296 -2.107 1.00 0.00 C ATOM 0 H ALA A 28 11.777 15.383 -3.758 1.00 0.00 H new ATOM 0 HA ALA A 28 11.217 15.569 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.319 17.802 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.026 17.636 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.746 17.528 -3.139 1.00 0.00 H new ATOM 389 N ASP A 29 8.972 15.498 -3.293 1.00 0.00 N ATOM 390 CA ASP A 29 7.612 15.078 -3.613 1.00 0.00 C ATOM 391 C ASP A 29 7.420 13.592 -3.328 1.00 0.00 C ATOM 392 O ASP A 29 8.232 12.760 -3.736 1.00 0.00 O ATOM 393 CB ASP A 29 7.297 15.374 -5.081 1.00 0.00 C ATOM 394 CG ASP A 29 7.690 16.780 -5.486 1.00 0.00 C ATOM 395 OD1 ASP A 29 7.599 17.691 -4.636 1.00 0.00 O ATOM 396 OD2 ASP A 29 8.091 16.971 -6.653 1.00 0.00 O ATOM 0 H ASP A 29 9.470 15.940 -4.066 1.00 0.00 H new ATOM 0 HA ASP A 29 6.926 15.641 -2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.821 14.657 -5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.230 15.234 -5.256 1.00 0.00 H new ATOM 401 N THR A 30 6.341 13.264 -2.624 1.00 0.00 N ATOM 402 CA THR A 30 6.044 11.879 -2.281 1.00 0.00 C ATOM 403 C THR A 30 4.542 11.657 -2.148 1.00 0.00 C ATOM 404 O THR A 30 3.851 12.411 -1.462 1.00 0.00 O ATOM 405 CB THR A 30 6.732 11.465 -0.967 1.00 0.00 C ATOM 406 OG1 THR A 30 6.341 10.135 -0.607 1.00 0.00 O ATOM 407 CG2 THR A 30 6.374 12.426 0.157 1.00 0.00 C ATOM 0 H THR A 30 5.658 13.939 -2.280 1.00 0.00 H new ATOM 0 HA THR A 30 6.430 11.262 -3.093 1.00 0.00 H new ATOM 0 HB THR A 30 7.811 11.497 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.784 9.879 0.229 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.871 12.113 1.075 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.699 13.432 -0.107 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.295 12.422 0.310 1.00 0.00 H new ATOM 415 N TYR A 31 4.041 10.617 -2.806 1.00 0.00 N ATOM 416 CA TYR A 31 2.620 10.296 -2.761 1.00 0.00 C ATOM 417 C TYR A 31 2.046 10.557 -1.372 1.00 0.00 C ATOM 418 O TYR A 31 2.748 10.450 -0.367 1.00 0.00 O ATOM 419 CB TYR A 31 2.393 8.835 -3.153 1.00 0.00 C ATOM 420 CG TYR A 31 3.231 8.386 -4.328 1.00 0.00 C ATOM 421 CD1 TYR A 31 3.058 8.951 -5.586 1.00 0.00 C ATOM 422 CD2 TYR A 31 4.196 7.397 -4.182 1.00 0.00 C ATOM 423 CE1 TYR A 31 3.820 8.543 -6.663 1.00 0.00 C ATOM 424 CE2 TYR A 31 4.964 6.984 -5.253 1.00 0.00 C ATOM 425 CZ TYR A 31 4.773 7.560 -6.492 1.00 0.00 C ATOM 426 OH TYR A 31 5.535 7.152 -7.562 1.00 0.00 O ATOM 0 H TYR A 31 4.599 9.982 -3.377 1.00 0.00 H new ATOM 0 HA TYR A 31 2.105 10.940 -3.474 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.614 8.199 -2.296 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.339 8.692 -3.393 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.315 9.722 -5.724 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.348 6.943 -3.214 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.671 8.991 -7.634 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.710 6.214 -5.121 1.00 0.00 H new ATOM 0 HH TYR A 31 6.362 6.739 -7.236 1.00 0.00 H new ATOM 436 N GLY A 32 0.762 10.900 -1.324 1.00 0.00 N ATOM 437 CA GLY A 32 0.113 11.171 -0.054 1.00 0.00 C ATOM 438 C GLY A 32 -1.110 10.304 0.168 1.00 0.00 C ATOM 439 O GLY A 32 -2.033 10.692 0.886 1.00 0.00 O ATOM 0 H GLY A 32 0.160 10.995 -2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.823 11.006 0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.178 12.221 -0.015 1.00 0.00 H new ATOM 443 N PHE A 33 -1.121 9.128 -0.450 1.00 0.00 N ATOM 444 CA PHE A 33 -2.242 8.205 -0.318 1.00 0.00 C ATOM 445 C PHE A 33 -1.862 7.008 0.549 1.00 0.00 C ATOM 446 O PHE A 33 -0.831 6.371 0.331 1.00 0.00 O ATOM 447 CB PHE A 33 -2.700 7.725 -1.697 1.00 0.00 C ATOM 448 CG PHE A 33 -2.000 6.480 -2.161 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.638 6.489 -2.415 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.703 5.300 -2.343 1.00 0.00 C ATOM 451 CE1 PHE A 33 0.009 5.344 -2.843 1.00 0.00 C ATOM 452 CE2 PHE A 33 -2.062 4.152 -2.770 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.704 4.175 -3.020 1.00 0.00 C ATOM 0 H PHE A 33 -0.366 8.791 -1.047 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.062 8.736 0.165 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.774 7.540 -1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.531 8.519 -2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.075 7.400 -2.277 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.765 5.277 -2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.071 5.364 -3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.622 3.239 -2.908 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.200 3.280 -3.354 1.00 0.00 H new ATOM 463 N SER A 34 -2.703 6.708 1.534 1.00 0.00 N ATOM 464 CA SER A 34 -2.454 5.592 2.438 1.00 0.00 C ATOM 465 C SER A 34 -3.261 4.366 2.022 1.00 0.00 C ATOM 466 O SER A 34 -4.098 4.436 1.121 1.00 0.00 O ATOM 467 CB SER A 34 -2.804 5.983 3.875 1.00 0.00 C ATOM 468 OG SER A 34 -1.919 6.976 4.363 1.00 0.00 O ATOM 0 H SER A 34 -3.563 7.222 1.726 1.00 0.00 H new ATOM 0 HA SER A 34 -1.394 5.344 2.385 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.829 6.353 3.915 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.757 5.103 4.516 1.00 0.00 H new ATOM 0 HG SER A 34 -2.165 7.210 5.282 1.00 0.00 H new ATOM 474 N LEU A 35 -3.005 3.243 2.684 1.00 0.00 N ATOM 475 CA LEU A 35 -3.707 2.000 2.385 1.00 0.00 C ATOM 476 C LEU A 35 -4.029 1.235 3.664 1.00 0.00 C ATOM 477 O LEU A 35 -3.179 1.088 4.542 1.00 0.00 O ATOM 478 CB LEU A 35 -2.864 1.127 1.453 1.00 0.00 C ATOM 479 CG LEU A 35 -2.831 1.551 -0.016 1.00 0.00 C ATOM 480 CD1 LEU A 35 -1.676 0.877 -0.740 1.00 0.00 C ATOM 481 CD2 LEU A 35 -4.153 1.225 -0.696 1.00 0.00 C ATOM 0 H LEU A 35 -2.316 3.168 3.432 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.644 2.251 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.841 1.111 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.239 0.105 1.507 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.680 2.630 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.668 1.191 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.735 1.162 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.795 -0.205 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.111 1.534 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.335 0.152 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.961 1.756 -0.193 1.00 0.00 H new ATOM 493 N SER A 36 -5.262 0.747 3.761 1.00 0.00 N ATOM 494 CA SER A 36 -5.697 -0.003 4.934 1.00 0.00 C ATOM 495 C SER A 36 -5.776 -1.495 4.626 1.00 0.00 C ATOM 496 O SER A 36 -6.192 -1.895 3.539 1.00 0.00 O ATOM 497 CB SER A 36 -7.059 0.503 5.412 1.00 0.00 C ATOM 498 OG SER A 36 -7.576 -0.320 6.443 1.00 0.00 O ATOM 0 H SER A 36 -5.977 0.857 3.042 1.00 0.00 H new ATOM 0 HA SER A 36 -4.963 0.149 5.725 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.964 1.527 5.773 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.757 0.524 4.575 1.00 0.00 H new ATOM 0 HG SER A 36 -8.446 0.026 6.732 1.00 0.00 H new ATOM 504 N SER A 37 -5.373 -2.314 5.592 1.00 0.00 N ATOM 505 CA SER A 37 -5.394 -3.762 5.425 1.00 0.00 C ATOM 506 C SER A 37 -6.612 -4.371 6.112 1.00 0.00 C ATOM 507 O SER A 37 -6.769 -4.269 7.329 1.00 0.00 O ATOM 508 CB SER A 37 -4.113 -4.381 5.989 1.00 0.00 C ATOM 509 OG SER A 37 -3.800 -3.834 7.259 1.00 0.00 O ATOM 0 H SER A 37 -5.028 -1.999 6.499 1.00 0.00 H new ATOM 0 HA SER A 37 -5.454 -3.979 4.358 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.234 -5.461 6.074 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.287 -4.206 5.300 1.00 0.00 H new ATOM 0 HG SER A 37 -4.617 -3.766 7.796 1.00 0.00 H new ATOM 515 N VAL A 38 -7.473 -5.006 5.323 1.00 0.00 N ATOM 516 CA VAL A 38 -8.678 -5.633 5.854 1.00 0.00 C ATOM 517 C VAL A 38 -8.680 -7.134 5.585 1.00 0.00 C ATOM 518 O VAL A 38 -8.682 -7.567 4.434 1.00 0.00 O ATOM 519 CB VAL A 38 -9.949 -5.012 5.246 1.00 0.00 C ATOM 520 CG1 VAL A 38 -11.194 -5.660 5.833 1.00 0.00 C ATOM 521 CG2 VAL A 38 -9.965 -3.507 5.470 1.00 0.00 C ATOM 0 H VAL A 38 -7.359 -5.100 4.314 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.677 -5.459 6.930 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.945 -5.197 4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.082 -5.208 5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.185 -6.728 5.617 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.209 -5.509 6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.870 -3.084 5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.945 -3.298 6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.091 -3.059 4.997 1.00 0.00 H new ATOM 531 N GLU A 39 -8.681 -7.922 6.656 1.00 0.00 N ATOM 532 CA GLU A 39 -8.683 -9.375 6.534 1.00 0.00 C ATOM 533 C GLU A 39 -10.107 -9.922 6.572 1.00 0.00 C ATOM 534 O GLU A 39 -10.907 -9.539 7.425 1.00 0.00 O ATOM 535 CB GLU A 39 -7.854 -10.004 7.656 1.00 0.00 C ATOM 536 CG GLU A 39 -7.200 -11.319 7.265 1.00 0.00 C ATOM 537 CD GLU A 39 -7.026 -12.256 8.444 1.00 0.00 C ATOM 538 OE1 GLU A 39 -6.179 -11.963 9.314 1.00 0.00 O ATOM 539 OE2 GLU A 39 -7.735 -13.283 8.497 1.00 0.00 O ATOM 0 H GLU A 39 -8.680 -7.579 7.617 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.238 -9.634 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.080 -9.300 7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.496 -10.170 8.521 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.805 -11.809 6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.226 -11.118 6.819 1.00 0.00 H new ATOM 546 N GLU A 40 -10.415 -10.818 5.640 1.00 0.00 N ATOM 547 CA GLU A 40 -11.743 -11.417 5.566 1.00 0.00 C ATOM 548 C GLU A 40 -11.659 -12.875 5.125 1.00 0.00 C ATOM 549 O GLU A 40 -11.298 -13.170 3.985 1.00 0.00 O ATOM 550 CB GLU A 40 -12.628 -10.630 4.597 1.00 0.00 C ATOM 551 CG GLU A 40 -13.264 -9.397 5.217 1.00 0.00 C ATOM 552 CD GLU A 40 -14.445 -8.884 4.417 1.00 0.00 C ATOM 553 OE1 GLU A 40 -15.235 -9.716 3.924 1.00 0.00 O ATOM 554 OE2 GLU A 40 -14.580 -7.650 4.285 1.00 0.00 O ATOM 0 H GLU A 40 -9.764 -11.145 4.926 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.185 -11.382 6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.030 -10.327 3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.415 -11.285 4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.591 -9.632 6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.515 -8.609 5.298 1.00 0.00 H new ATOM 561 N ASP A 41 -11.994 -13.783 6.035 1.00 0.00 N ATOM 562 CA ASP A 41 -11.957 -15.210 5.741 1.00 0.00 C ATOM 563 C ASP A 41 -10.546 -15.651 5.364 1.00 0.00 C ATOM 564 O ASP A 41 -10.363 -16.526 4.519 1.00 0.00 O ATOM 565 CB ASP A 41 -12.928 -15.545 4.608 1.00 0.00 C ATOM 566 CG ASP A 41 -14.378 -15.382 5.022 1.00 0.00 C ATOM 567 OD1 ASP A 41 -14.703 -15.707 6.182 1.00 0.00 O ATOM 568 OD2 ASP A 41 -15.187 -14.930 4.184 1.00 0.00 O ATOM 0 H ASP A 41 -12.294 -13.556 6.983 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.259 -15.748 6.639 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.722 -14.900 3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.760 -16.571 4.280 1.00 0.00 H new ATOM 573 N GLY A 42 -9.550 -15.038 5.998 1.00 0.00 N ATOM 574 CA GLY A 42 -8.169 -15.380 5.715 1.00 0.00 C ATOM 575 C GLY A 42 -7.587 -14.554 4.584 1.00 0.00 C ATOM 576 O GLY A 42 -6.374 -14.353 4.514 1.00 0.00 O ATOM 0 H GLY A 42 -9.676 -14.311 6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.570 -15.233 6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.105 -16.438 5.459 1.00 0.00 H new ATOM 580 N ILE A 43 -8.453 -14.076 3.697 1.00 0.00 N ATOM 581 CA ILE A 43 -8.017 -13.268 2.564 1.00 0.00 C ATOM 582 C ILE A 43 -7.899 -11.797 2.951 1.00 0.00 C ATOM 583 O ILE A 43 -8.883 -11.166 3.340 1.00 0.00 O ATOM 584 CB ILE A 43 -8.986 -13.398 1.375 1.00 0.00 C ATOM 585 CG1 ILE A 43 -9.354 -14.865 1.147 1.00 0.00 C ATOM 586 CG2 ILE A 43 -8.368 -12.800 0.120 1.00 0.00 C ATOM 587 CD1 ILE A 43 -10.723 -15.057 0.532 1.00 0.00 C ATOM 0 H ILE A 43 -9.460 -14.234 3.741 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.038 -13.643 2.267 1.00 0.00 H new ATOM 0 HB ILE A 43 -9.897 -12.846 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.606 -15.322 0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.316 -15.393 2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.065 -12.900 -0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.152 -11.745 0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.443 -13.326 -0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -10.916 -16.121 0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -11.480 -14.630 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.760 -14.558 -0.436 1.00 0.00 H new ATOM 599 N ARG A 44 -6.690 -11.257 2.840 1.00 0.00 N ATOM 600 CA ARG A 44 -6.444 -9.860 3.177 1.00 0.00 C ATOM 601 C ARG A 44 -6.515 -8.980 1.933 1.00 0.00 C ATOM 602 O ARG A 44 -5.904 -9.285 0.909 1.00 0.00 O ATOM 603 CB ARG A 44 -5.075 -9.709 3.844 1.00 0.00 C ATOM 604 CG ARG A 44 -4.640 -8.263 4.020 1.00 0.00 C ATOM 605 CD ARG A 44 -3.858 -7.766 2.814 1.00 0.00 C ATOM 606 NE ARG A 44 -2.438 -8.097 2.909 1.00 0.00 N ATOM 607 CZ ARG A 44 -1.608 -7.529 3.776 1.00 0.00 C ATOM 608 NH1 ARG A 44 -2.053 -6.607 4.619 1.00 0.00 N ATOM 609 NH2 ARG A 44 -0.329 -7.883 3.801 1.00 0.00 N ATOM 0 H ARG A 44 -5.866 -11.765 2.519 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.218 -9.538 3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.100 -10.193 4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.329 -10.234 3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.517 -7.634 4.171 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.025 -8.173 4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.273 -8.205 1.907 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.974 -6.686 2.727 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.064 -8.803 2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.035 -6.332 4.603 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.413 -6.172 5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.017 -8.592 3.154 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.308 -7.446 4.467 1.00 0.00 H new ATOM 623 N ARG A 45 -7.266 -7.888 2.030 1.00 0.00 N ATOM 624 CA ARG A 45 -7.419 -6.964 0.912 1.00 0.00 C ATOM 625 C ARG A 45 -6.910 -5.574 1.282 1.00 0.00 C ATOM 626 O ARG A 45 -6.700 -5.270 2.457 1.00 0.00 O ATOM 627 CB ARG A 45 -8.886 -6.885 0.485 1.00 0.00 C ATOM 628 CG ARG A 45 -9.269 -7.912 -0.568 1.00 0.00 C ATOM 629 CD ARG A 45 -9.371 -9.308 0.026 1.00 0.00 C ATOM 630 NE ARG A 45 -9.976 -10.256 -0.905 1.00 0.00 N ATOM 631 CZ ARG A 45 -9.380 -10.679 -2.014 1.00 0.00 C ATOM 632 NH1 ARG A 45 -8.169 -10.240 -2.329 1.00 0.00 N ATOM 633 NH2 ARG A 45 -9.995 -11.543 -2.811 1.00 0.00 N ATOM 0 H ARG A 45 -7.778 -7.621 2.871 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.825 -7.340 0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.519 -7.022 1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.090 -5.887 0.098 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.223 -7.636 -1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.528 -7.909 -1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.377 -9.657 0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.963 -9.270 0.941 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.907 -10.613 -0.692 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.693 -9.576 -1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.714 -10.567 -3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.927 -11.883 -2.572 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.536 -11.867 -3.662 1.00 0.00 H new ATOM 647 N LEU A 46 -6.714 -4.733 0.272 1.00 0.00 N ATOM 648 CA LEU A 46 -6.229 -3.375 0.491 1.00 0.00 C ATOM 649 C LEU A 46 -7.271 -2.349 0.057 1.00 0.00 C ATOM 650 O LEU A 46 -8.048 -2.590 -0.867 1.00 0.00 O ATOM 651 CB LEU A 46 -4.925 -3.148 -0.275 1.00 0.00 C ATOM 652 CG LEU A 46 -3.642 -3.562 0.448 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.346 -2.610 1.596 1.00 0.00 C ATOM 654 CD2 LEU A 46 -3.752 -4.993 0.953 1.00 0.00 C ATOM 0 H LEU A 46 -6.883 -4.968 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.043 -3.250 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.980 -3.694 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.853 -2.089 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.815 -3.511 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.430 -2.920 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.223 -1.599 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.173 -2.628 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.830 -5.270 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.589 -5.071 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.915 -5.665 0.110 1.00 0.00 H new ATOM 666 N TYR A 47 -7.281 -1.203 0.729 1.00 0.00 N ATOM 667 CA TYR A 47 -8.227 -0.139 0.413 1.00 0.00 C ATOM 668 C TYR A 47 -7.610 1.233 0.668 1.00 0.00 C ATOM 669 O TYR A 47 -7.004 1.469 1.713 1.00 0.00 O ATOM 670 CB TYR A 47 -9.502 -0.300 1.243 1.00 0.00 C ATOM 671 CG TYR A 47 -10.241 -1.591 0.975 1.00 0.00 C ATOM 672 CD1 TYR A 47 -9.941 -2.747 1.686 1.00 0.00 C ATOM 673 CD2 TYR A 47 -11.238 -1.656 0.010 1.00 0.00 C ATOM 674 CE1 TYR A 47 -10.612 -3.929 1.443 1.00 0.00 C ATOM 675 CE2 TYR A 47 -11.917 -2.834 -0.238 1.00 0.00 C ATOM 676 CZ TYR A 47 -11.600 -3.968 0.481 1.00 0.00 C ATOM 677 OH TYR A 47 -12.272 -5.143 0.236 1.00 0.00 O ATOM 0 H TYR A 47 -6.645 -0.987 1.496 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.478 -0.213 -0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.245 -0.251 2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.167 0.539 1.038 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.170 -2.720 2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.487 -0.771 -0.556 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.365 -4.819 2.003 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.691 -2.867 -0.990 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.936 -4.999 -0.470 1.00 0.00 H new ATOM 687 N VAL A 48 -7.770 2.134 -0.296 1.00 0.00 N ATOM 688 CA VAL A 48 -7.231 3.484 -0.177 1.00 0.00 C ATOM 689 C VAL A 48 -7.908 4.248 0.955 1.00 0.00 C ATOM 690 O VAL A 48 -9.084 4.597 0.866 1.00 0.00 O ATOM 691 CB VAL A 48 -7.401 4.273 -1.488 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.763 5.649 -1.370 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.808 3.500 -2.656 1.00 0.00 C ATOM 0 H VAL A 48 -8.268 1.954 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.168 3.383 0.042 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.466 4.408 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.893 6.192 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.239 6.202 -0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.699 5.540 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.937 4.073 -3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.746 3.332 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.316 2.540 -2.752 1.00 0.00 H new ATOM 703 N ASN A 49 -7.156 4.505 2.021 1.00 0.00 N ATOM 704 CA ASN A 49 -7.684 5.229 3.172 1.00 0.00 C ATOM 705 C ASN A 49 -7.636 6.735 2.936 1.00 0.00 C ATOM 706 O ASN A 49 -8.573 7.457 3.275 1.00 0.00 O ATOM 707 CB ASN A 49 -6.891 4.873 4.431 1.00 0.00 C ATOM 708 CG ASN A 49 -7.315 5.695 5.633 1.00 0.00 C ATOM 709 OD1 ASN A 49 -7.830 6.804 5.490 1.00 0.00 O ATOM 710 ND2 ASN A 49 -7.100 5.153 6.826 1.00 0.00 N ATOM 0 H ASN A 49 -6.180 4.223 2.111 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.724 4.934 3.310 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.024 3.814 4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.829 5.029 4.244 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.365 5.659 7.671 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.670 4.231 6.897 1.00 0.00 H new ATOM 717 N SER A 50 -6.537 7.203 2.352 1.00 0.00 N ATOM 718 CA SER A 50 -6.364 8.624 2.074 1.00 0.00 C ATOM 719 C SER A 50 -5.781 8.837 0.680 1.00 0.00 C ATOM 720 O SER A 50 -5.227 7.917 0.079 1.00 0.00 O ATOM 721 CB SER A 50 -5.454 9.264 3.123 1.00 0.00 C ATOM 722 OG SER A 50 -5.313 10.656 2.895 1.00 0.00 O ATOM 0 H SER A 50 -5.753 6.618 2.062 1.00 0.00 H new ATOM 0 HA SER A 50 -7.344 9.099 2.116 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.866 9.095 4.118 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.474 8.787 3.099 1.00 0.00 H new ATOM 0 HG SER A 50 -4.728 11.042 3.580 1.00 0.00 H new ATOM 728 N VAL A 51 -5.912 10.058 0.172 1.00 0.00 N ATOM 729 CA VAL A 51 -5.398 10.395 -1.151 1.00 0.00 C ATOM 730 C VAL A 51 -4.745 11.773 -1.152 1.00 0.00 C ATOM 731 O VAL A 51 -5.217 12.696 -0.488 1.00 0.00 O ATOM 732 CB VAL A 51 -6.514 10.366 -2.211 1.00 0.00 C ATOM 733 CG1 VAL A 51 -5.990 10.857 -3.552 1.00 0.00 C ATOM 734 CG2 VAL A 51 -7.094 8.966 -2.336 1.00 0.00 C ATOM 0 H VAL A 51 -6.370 10.831 0.656 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.651 9.642 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.311 11.037 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.793 10.829 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.627 11.880 -3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.174 10.214 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.881 8.964 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.308 8.271 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.509 8.657 -1.377 1.00 0.00 H new ATOM 744 N LYS A 52 -3.657 11.906 -1.904 1.00 0.00 N ATOM 745 CA LYS A 52 -2.940 13.171 -1.995 1.00 0.00 C ATOM 746 C LYS A 52 -3.813 14.248 -2.632 1.00 0.00 C ATOM 747 O LYS A 52 -4.189 14.143 -3.799 1.00 0.00 O ATOM 748 CB LYS A 52 -1.655 12.995 -2.807 1.00 0.00 C ATOM 749 CG LYS A 52 -0.543 13.947 -2.400 1.00 0.00 C ATOM 750 CD LYS A 52 0.613 13.907 -3.386 1.00 0.00 C ATOM 751 CE LYS A 52 1.907 14.389 -2.747 1.00 0.00 C ATOM 752 NZ LYS A 52 1.813 15.808 -2.305 1.00 0.00 N ATOM 0 H LYS A 52 -3.253 11.152 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.684 13.488 -0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.303 11.969 -2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.880 13.142 -3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.936 14.962 -2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.183 13.684 -1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.744 12.889 -3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.378 14.530 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.147 13.757 -1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.725 14.284 -3.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.743 16.129 -1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.510 16.401 -3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.120 15.886 -1.533 1.00 0.00 H new ATOM 766 N GLU A 53 -4.129 15.281 -1.858 1.00 0.00 N ATOM 767 CA GLU A 53 -4.957 16.376 -2.349 1.00 0.00 C ATOM 768 C GLU A 53 -4.262 17.116 -3.488 1.00 0.00 C ATOM 769 O GLU A 53 -3.117 17.549 -3.356 1.00 0.00 O ATOM 770 CB GLU A 53 -5.278 17.351 -1.214 1.00 0.00 C ATOM 771 CG GLU A 53 -6.391 18.330 -1.548 1.00 0.00 C ATOM 772 CD GLU A 53 -6.865 19.110 -0.337 1.00 0.00 C ATOM 773 OE1 GLU A 53 -7.495 18.500 0.552 1.00 0.00 O ATOM 774 OE2 GLU A 53 -6.606 20.330 -0.279 1.00 0.00 O ATOM 0 H GLU A 53 -3.825 15.383 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.887 15.952 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.559 16.783 -0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.377 17.911 -0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.041 19.027 -2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.232 17.785 -1.977 1.00 0.00 H new ATOM 781 N THR A 54 -4.963 17.258 -4.609 1.00 0.00 N ATOM 782 CA THR A 54 -4.414 17.943 -5.773 1.00 0.00 C ATOM 783 C THR A 54 -3.018 17.430 -6.105 1.00 0.00 C ATOM 784 O THR A 54 -2.161 18.185 -6.562 1.00 0.00 O ATOM 785 CB THR A 54 -4.350 19.466 -5.549 1.00 0.00 C ATOM 786 OG1 THR A 54 -3.446 19.766 -4.480 1.00 0.00 O ATOM 787 CG2 THR A 54 -5.728 20.024 -5.228 1.00 0.00 C ATOM 0 H THR A 54 -5.913 16.907 -4.735 1.00 0.00 H new ATOM 0 HA THR A 54 -5.082 17.734 -6.608 1.00 0.00 H new ATOM 0 HB THR A 54 -3.993 19.932 -6.467 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.962 18.953 -4.223 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.658 21.101 -5.074 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.405 19.820 -6.057 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.110 19.552 -4.323 1.00 0.00 H new ATOM 795 N GLY A 55 -2.795 16.140 -5.872 1.00 0.00 N ATOM 796 CA GLY A 55 -1.500 15.548 -6.153 1.00 0.00 C ATOM 797 C GLY A 55 -1.482 14.788 -7.464 1.00 0.00 C ATOM 798 O GLY A 55 -1.933 15.298 -8.492 1.00 0.00 O ATOM 0 H GLY A 55 -3.488 15.494 -5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.744 16.332 -6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.229 14.873 -5.341 1.00 0.00 H new ATOM 802 N LEU A 56 -0.960 13.568 -7.432 1.00 0.00 N ATOM 803 CA LEU A 56 -0.883 12.736 -8.629 1.00 0.00 C ATOM 804 C LEU A 56 -1.942 11.640 -8.598 1.00 0.00 C ATOM 805 O LEU A 56 -2.718 11.486 -9.542 1.00 0.00 O ATOM 806 CB LEU A 56 0.509 12.114 -8.752 1.00 0.00 C ATOM 807 CG LEU A 56 1.690 13.063 -8.545 1.00 0.00 C ATOM 808 CD1 LEU A 56 3.002 12.295 -8.571 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.688 14.156 -9.604 1.00 0.00 C ATOM 0 H LEU A 56 -0.583 13.132 -6.591 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.068 13.370 -9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.588 11.304 -8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.598 11.666 -9.741 1.00 0.00 H new ATOM 0 HG LEU A 56 1.587 13.533 -7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.831 12.986 -8.422 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.003 11.550 -7.775 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.113 11.797 -9.534 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.535 14.822 -9.441 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.766 13.705 -10.593 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.761 14.725 -9.537 1.00 0.00 H new ATOM 821 N ALA A 57 -1.971 10.881 -7.508 1.00 0.00 N ATOM 822 CA ALA A 57 -2.938 9.802 -7.353 1.00 0.00 C ATOM 823 C ALA A 57 -4.339 10.259 -7.744 1.00 0.00 C ATOM 824 O ALA A 57 -4.972 9.671 -8.621 1.00 0.00 O ATOM 825 CB ALA A 57 -2.929 9.287 -5.921 1.00 0.00 C ATOM 0 H ALA A 57 -1.335 10.994 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.650 8.991 -8.021 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.656 8.481 -5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.935 8.912 -5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.189 10.098 -5.241 1.00 0.00 H new ATOM 831 N SER A 58 -4.817 11.312 -7.088 1.00 0.00 N ATOM 832 CA SER A 58 -6.146 11.846 -7.365 1.00 0.00 C ATOM 833 C SER A 58 -6.317 12.131 -8.854 1.00 0.00 C ATOM 834 O SER A 58 -7.077 11.451 -9.545 1.00 0.00 O ATOM 835 CB SER A 58 -6.383 13.124 -6.558 1.00 0.00 C ATOM 836 OG SER A 58 -7.620 13.722 -6.904 1.00 0.00 O ATOM 0 H SER A 58 -4.304 11.812 -6.362 1.00 0.00 H new ATOM 0 HA SER A 58 -6.881 11.097 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.372 12.893 -5.493 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.571 13.828 -6.739 1.00 0.00 H new ATOM 0 HG SER A 58 -7.750 14.536 -6.374 1.00 0.00 H new ATOM 842 N LYS A 59 -5.606 13.141 -9.342 1.00 0.00 N ATOM 843 CA LYS A 59 -5.677 13.518 -10.749 1.00 0.00 C ATOM 844 C LYS A 59 -5.839 12.287 -11.634 1.00 0.00 C ATOM 845 O LYS A 59 -6.792 12.187 -12.408 1.00 0.00 O ATOM 846 CB LYS A 59 -4.419 14.290 -11.155 1.00 0.00 C ATOM 847 CG LYS A 59 -4.294 15.647 -10.484 1.00 0.00 C ATOM 848 CD LYS A 59 -3.247 16.512 -11.165 1.00 0.00 C ATOM 849 CE LYS A 59 -3.225 17.919 -10.587 1.00 0.00 C ATOM 850 NZ LYS A 59 -2.095 18.723 -11.128 1.00 0.00 N ATOM 0 H LYS A 59 -4.973 13.714 -8.784 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.549 14.158 -10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.541 13.691 -10.911 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.421 14.428 -12.236 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.258 16.155 -10.507 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.030 15.512 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.264 16.055 -11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.453 16.560 -12.234 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.167 18.419 -10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.145 17.864 -9.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.115 19.675 -10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.195 18.260 -10.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.185 18.797 -12.161 1.00 0.00 H new ATOM 864 N LYS A 60 -4.904 11.351 -11.515 1.00 0.00 N ATOM 865 CA LYS A 60 -4.944 10.124 -12.303 1.00 0.00 C ATOM 866 C LYS A 60 -6.299 9.437 -12.170 1.00 0.00 C ATOM 867 O LYS A 60 -6.988 9.206 -13.163 1.00 0.00 O ATOM 868 CB LYS A 60 -3.831 9.172 -11.858 1.00 0.00 C ATOM 869 CG LYS A 60 -2.433 9.716 -12.097 1.00 0.00 C ATOM 870 CD LYS A 60 -2.029 9.594 -13.556 1.00 0.00 C ATOM 871 CE LYS A 60 -0.550 9.890 -13.752 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.177 9.928 -15.193 1.00 0.00 N ATOM 0 H LYS A 60 -4.109 11.418 -10.880 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.791 10.388 -13.350 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.951 8.957 -10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.939 8.226 -12.389 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.392 10.762 -11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.720 9.175 -11.475 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.250 8.588 -13.913 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.622 10.283 -14.158 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.307 10.846 -13.289 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.043 9.130 -13.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.839 10.132 -15.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.385 9.007 -15.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.724 10.671 -15.674 1.00 0.00 H new ATOM 886 N GLY A 61 -6.676 9.114 -10.937 1.00 0.00 N ATOM 887 CA GLY A 61 -7.948 8.457 -10.698 1.00 0.00 C ATOM 888 C GLY A 61 -7.952 7.650 -9.415 1.00 0.00 C ATOM 889 O GLY A 61 -8.170 6.438 -9.435 1.00 0.00 O ATOM 0 H GLY A 61 -6.123 9.295 -10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.738 9.207 -10.654 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.178 7.800 -11.537 1.00 0.00 H new ATOM 893 N LEU A 62 -7.708 8.322 -8.295 1.00 0.00 N ATOM 894 CA LEU A 62 -7.682 7.659 -6.996 1.00 0.00 C ATOM 895 C LEU A 62 -8.495 8.442 -5.969 1.00 0.00 C ATOM 896 O LEU A 62 -8.683 9.652 -6.102 1.00 0.00 O ATOM 897 CB LEU A 62 -6.241 7.502 -6.509 1.00 0.00 C ATOM 898 CG LEU A 62 -5.496 6.263 -7.006 1.00 0.00 C ATOM 899 CD1 LEU A 62 -3.999 6.527 -7.064 1.00 0.00 C ATOM 900 CD2 LEU A 62 -5.795 5.067 -6.114 1.00 0.00 C ATOM 0 H LEU A 62 -7.525 9.325 -8.260 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.129 6.672 -7.111 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.678 8.385 -6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.247 7.485 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.843 6.034 -8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.486 5.634 -7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.802 7.355 -7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.636 6.782 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.256 4.194 -6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.477 5.285 -5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.866 4.864 -6.125 1.00 0.00 H new ATOM 912 N LYS A 63 -8.973 7.745 -4.944 1.00 0.00 N ATOM 913 CA LYS A 63 -9.762 8.374 -3.892 1.00 0.00 C ATOM 914 C LYS A 63 -9.906 7.445 -2.691 1.00 0.00 C ATOM 915 O LYS A 63 -9.709 6.236 -2.802 1.00 0.00 O ATOM 916 CB LYS A 63 -11.146 8.756 -4.423 1.00 0.00 C ATOM 917 CG LYS A 63 -11.889 9.738 -3.534 1.00 0.00 C ATOM 918 CD LYS A 63 -13.002 10.444 -4.290 1.00 0.00 C ATOM 919 CE LYS A 63 -14.189 9.522 -4.522 1.00 0.00 C ATOM 920 NZ LYS A 63 -15.032 9.979 -5.662 1.00 0.00 N ATOM 0 H LYS A 63 -8.827 6.743 -4.820 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.241 9.276 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.037 9.189 -5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.746 7.853 -4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.308 9.210 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.189 10.476 -3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.325 11.321 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.624 10.800 -5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.831 8.511 -4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.795 9.476 -3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.830 9.324 -5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.395 10.934 -5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.460 9.999 -6.531 1.00 0.00 H new ATOM 934 N ALA A 64 -10.253 8.019 -1.543 1.00 0.00 N ATOM 935 CA ALA A 64 -10.427 7.241 -0.322 1.00 0.00 C ATOM 936 C ALA A 64 -11.677 6.371 -0.399 1.00 0.00 C ATOM 937 O ALA A 64 -12.776 6.817 -0.074 1.00 0.00 O ATOM 938 CB ALA A 64 -10.497 8.164 0.886 1.00 0.00 C ATOM 0 H ALA A 64 -10.419 9.019 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.565 6.583 -0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.627 7.570 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.574 8.739 0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.341 8.845 0.775 1.00 0.00 H new ATOM 944 N GLY A 65 -11.500 5.127 -0.832 1.00 0.00 N ATOM 945 CA GLY A 65 -12.623 4.214 -0.945 1.00 0.00 C ATOM 946 C GLY A 65 -12.512 3.303 -2.151 1.00 0.00 C ATOM 947 O GLY A 65 -13.520 2.934 -2.754 1.00 0.00 O ATOM 0 H GLY A 65 -10.599 4.735 -1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.687 3.608 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.548 4.787 -1.011 1.00 0.00 H new ATOM 951 N ASP A 66 -11.284 2.942 -2.506 1.00 0.00 N ATOM 952 CA ASP A 66 -11.044 2.069 -3.649 1.00 0.00 C ATOM 953 C ASP A 66 -10.384 0.766 -3.209 1.00 0.00 C ATOM 954 O ASP A 66 -9.901 0.654 -2.083 1.00 0.00 O ATOM 955 CB ASP A 66 -10.165 2.776 -4.682 1.00 0.00 C ATOM 956 CG ASP A 66 -10.436 2.299 -6.096 1.00 0.00 C ATOM 957 OD1 ASP A 66 -11.452 1.603 -6.303 1.00 0.00 O ATOM 958 OD2 ASP A 66 -9.632 2.622 -6.995 1.00 0.00 O ATOM 0 H ASP A 66 -10.439 3.240 -2.019 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.007 1.833 -4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.336 3.851 -4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.116 2.607 -4.439 1.00 0.00 H new ATOM 963 N GLU A 67 -10.369 -0.216 -4.105 1.00 0.00 N ATOM 964 CA GLU A 67 -9.770 -1.512 -3.807 1.00 0.00 C ATOM 965 C GLU A 67 -8.644 -1.829 -4.787 1.00 0.00 C ATOM 966 O GLU A 67 -8.867 -1.925 -5.994 1.00 0.00 O ATOM 967 CB GLU A 67 -10.831 -2.613 -3.858 1.00 0.00 C ATOM 968 CG GLU A 67 -10.256 -4.017 -3.773 1.00 0.00 C ATOM 969 CD GLU A 67 -9.288 -4.182 -2.618 1.00 0.00 C ATOM 970 OE1 GLU A 67 -9.747 -4.199 -1.457 1.00 0.00 O ATOM 971 OE2 GLU A 67 -8.071 -4.294 -2.875 1.00 0.00 O ATOM 0 H GLU A 67 -10.764 -0.139 -5.042 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.351 -1.468 -2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.534 -2.467 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.398 -2.517 -4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.071 -4.733 -3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.746 -4.254 -4.707 1.00 0.00 H new ATOM 978 N ILE A 68 -7.435 -1.990 -4.259 1.00 0.00 N ATOM 979 CA ILE A 68 -6.275 -2.296 -5.086 1.00 0.00 C ATOM 980 C ILE A 68 -6.183 -3.792 -5.371 1.00 0.00 C ATOM 981 O ILE A 68 -6.029 -4.601 -4.455 1.00 0.00 O ATOM 982 CB ILE A 68 -4.968 -1.830 -4.418 1.00 0.00 C ATOM 983 CG1 ILE A 68 -5.091 -0.373 -3.969 1.00 0.00 C ATOM 984 CG2 ILE A 68 -3.796 -2.000 -5.372 1.00 0.00 C ATOM 985 CD1 ILE A 68 -4.912 0.623 -5.094 1.00 0.00 C ATOM 0 H ILE A 68 -7.234 -1.913 -3.262 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.405 -1.757 -6.024 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.786 -2.447 -3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.070 -0.223 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.347 -0.175 -3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.879 -1.666 -4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.700 -3.051 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.968 -1.405 -6.269 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.012 1.635 -4.703 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.923 0.500 -5.535 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.672 0.452 -5.856 1.00 0.00 H new ATOM 997 N LEU A 69 -6.275 -4.152 -6.646 1.00 0.00 N ATOM 998 CA LEU A 69 -6.200 -5.551 -7.053 1.00 0.00 C ATOM 999 C LEU A 69 -4.749 -6.007 -7.169 1.00 0.00 C ATOM 1000 O LEU A 69 -4.404 -7.119 -6.769 1.00 0.00 O ATOM 1001 CB LEU A 69 -6.919 -5.754 -8.388 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.374 -5.288 -8.444 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -8.747 -4.874 -9.859 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.305 -6.383 -7.944 1.00 0.00 C ATOM 0 H LEU A 69 -6.402 -3.495 -7.416 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.691 -6.153 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.360 -5.229 -9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.888 -6.815 -8.637 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.483 -4.421 -7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.786 -4.545 -9.880 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.101 -4.057 -10.181 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.621 -5.723 -10.531 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.336 -6.033 -7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.193 -7.269 -8.569 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.053 -6.632 -6.913 1.00 0.00 H new ATOM 1016 N GLU A 70 -3.904 -5.140 -7.717 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.489 -5.454 -7.884 1.00 0.00 C ATOM 1018 C GLU A 70 -1.645 -4.183 -7.876 1.00 0.00 C ATOM 1019 O GLU A 70 -2.153 -3.087 -8.115 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.265 -6.220 -9.189 1.00 0.00 C ATOM 1021 CG GLU A 70 -2.440 -7.723 -9.050 1.00 0.00 C ATOM 1022 CD GLU A 70 -2.060 -8.474 -10.311 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -0.847 -8.617 -10.573 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -2.974 -8.918 -11.037 1.00 0.00 O ATOM 0 H GLU A 70 -4.174 -4.215 -8.053 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.180 -6.079 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.961 -5.850 -9.942 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.259 -6.012 -9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.830 -8.081 -8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.478 -7.942 -8.800 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.355 -4.338 -7.598 1.00 0.00 N ATOM 1032 CA ILE A 71 0.560 -3.204 -7.560 1.00 0.00 C ATOM 1033 C ILE A 71 1.881 -3.540 -8.243 1.00 0.00 C ATOM 1034 O ILE A 71 2.710 -4.263 -7.693 1.00 0.00 O ATOM 1035 CB ILE A 71 0.842 -2.758 -6.113 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.461 -2.363 -5.415 1.00 0.00 C ATOM 1037 CG2 ILE A 71 1.829 -1.600 -6.099 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.368 -2.385 -3.905 1.00 0.00 C ATOM 0 H ILE A 71 0.080 -5.238 -7.396 1.00 0.00 H new ATOM 0 HA ILE A 71 0.075 -2.388 -8.096 1.00 0.00 H new ATOM 0 HB ILE A 71 1.284 -3.593 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.748 -1.363 -5.739 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.254 -3.041 -5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.018 -1.296 -5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.764 -1.913 -6.563 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.412 -0.760 -6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.327 -2.094 -3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.111 -3.390 -3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.402 -1.686 -3.578 1.00 0.00 H new ATOM 1050 N ASN A 72 2.070 -3.007 -9.446 1.00 0.00 N ATOM 1051 CA ASN A 72 3.292 -3.249 -10.205 1.00 0.00 C ATOM 1052 C ASN A 72 3.445 -4.731 -10.532 1.00 0.00 C ATOM 1053 O ASN A 72 4.504 -5.319 -10.317 1.00 0.00 O ATOM 1054 CB ASN A 72 4.511 -2.760 -9.419 1.00 0.00 C ATOM 1055 CG ASN A 72 4.759 -1.276 -9.602 1.00 0.00 C ATOM 1056 OD1 ASN A 72 4.276 -0.667 -10.557 1.00 0.00 O ATOM 1057 ND2 ASN A 72 5.517 -0.686 -8.685 1.00 0.00 N ATOM 0 H ASN A 72 1.393 -2.405 -9.916 1.00 0.00 H new ATOM 0 HA ASN A 72 3.225 -2.694 -11.141 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.367 -2.974 -8.360 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.393 -3.315 -9.739 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.720 0.311 -8.756 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.896 -1.230 -7.910 1.00 0.00 H new ATOM 1064 N ASN A 73 2.378 -5.329 -11.054 1.00 0.00 N ATOM 1065 CA ASN A 73 2.394 -6.743 -11.412 1.00 0.00 C ATOM 1066 C ASN A 73 2.623 -7.613 -10.180 1.00 0.00 C ATOM 1067 O ASN A 73 3.355 -8.601 -10.232 1.00 0.00 O ATOM 1068 CB ASN A 73 3.482 -7.016 -12.452 1.00 0.00 C ATOM 1069 CG ASN A 73 3.039 -6.662 -13.858 1.00 0.00 C ATOM 1070 OD1 ASN A 73 3.672 -5.852 -14.535 1.00 0.00 O ATOM 1071 ND2 ASN A 73 1.946 -7.270 -14.305 1.00 0.00 N ATOM 0 H ASN A 73 1.493 -4.857 -11.238 1.00 0.00 H new ATOM 0 HA ASN A 73 1.423 -6.995 -11.838 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.374 -6.443 -12.200 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.759 -8.069 -12.416 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.600 -7.072 -15.244 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.452 -7.935 -13.709 1.00 0.00 H new ATOM 1078 N ARG A 74 1.991 -7.239 -9.072 1.00 0.00 N ATOM 1079 CA ARG A 74 2.126 -7.984 -7.826 1.00 0.00 C ATOM 1080 C ARG A 74 0.803 -8.017 -7.066 1.00 0.00 C ATOM 1081 O ARG A 74 0.098 -7.011 -6.983 1.00 0.00 O ATOM 1082 CB ARG A 74 3.215 -7.362 -6.950 1.00 0.00 C ATOM 1083 CG ARG A 74 4.606 -7.447 -7.556 1.00 0.00 C ATOM 1084 CD ARG A 74 5.149 -8.867 -7.506 1.00 0.00 C ATOM 1085 NE ARG A 74 6.224 -9.076 -8.473 1.00 0.00 N ATOM 1086 CZ ARG A 74 7.429 -8.527 -8.363 1.00 0.00 C ATOM 1087 NH1 ARG A 74 7.711 -7.741 -7.333 1.00 0.00 N ATOM 1088 NH2 ARG A 74 8.354 -8.765 -9.283 1.00 0.00 N ATOM 0 H ARG A 74 1.380 -6.424 -9.012 1.00 0.00 H new ATOM 0 HA ARG A 74 2.409 -9.007 -8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.970 -6.315 -6.769 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.219 -7.861 -5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.575 -7.104 -8.590 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.280 -6.779 -7.019 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.518 -9.079 -6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.341 -9.571 -7.704 1.00 0.00 H new ATOM 0 HE ARG A 74 6.039 -9.676 -9.277 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.002 -7.557 -6.623 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.637 -7.321 -7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.141 -9.370 -10.076 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.279 -8.343 -9.198 1.00 0.00 H new ATOM 1102 N ALA A 75 0.473 -9.179 -6.513 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.764 -9.343 -5.759 1.00 0.00 C ATOM 1104 C ALA A 75 -0.743 -8.507 -4.483 1.00 0.00 C ATOM 1105 O ALA A 75 0.247 -8.497 -3.753 1.00 0.00 O ATOM 1106 CB ALA A 75 -0.990 -10.810 -5.427 1.00 0.00 C ATOM 0 H ALA A 75 1.045 -10.021 -6.573 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.588 -8.992 -6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.917 -10.917 -4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.058 -11.386 -6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.157 -11.180 -4.829 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.842 -7.807 -4.222 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.950 -6.969 -3.034 1.00 0.00 C ATOM 1114 C ALA A 76 -1.675 -7.774 -1.769 1.00 0.00 C ATOM 1115 O ALA A 76 -0.765 -7.454 -1.004 1.00 0.00 O ATOM 1116 CB ALA A 76 -3.328 -6.327 -2.965 1.00 0.00 C ATOM 0 H ALA A 76 -2.670 -7.804 -4.817 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.198 -6.183 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.395 -5.704 -2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.487 -5.711 -3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.090 -7.105 -2.922 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.467 -8.818 -1.553 1.00 0.00 N ATOM 1123 CA ASP A 77 -2.308 -9.669 -0.380 1.00 0.00 C ATOM 1124 C ASP A 77 -0.859 -10.122 -0.229 1.00 0.00 C ATOM 1125 O ASP A 77 -0.313 -10.131 0.873 1.00 0.00 O ATOM 1126 CB ASP A 77 -3.229 -10.887 -0.477 1.00 0.00 C ATOM 1127 CG ASP A 77 -3.204 -11.522 -1.854 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -3.958 -11.059 -2.735 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -2.430 -12.482 -2.049 1.00 0.00 O ATOM 0 H ASP A 77 -3.226 -9.095 -2.175 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.581 -9.086 0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.929 -11.626 0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.249 -10.588 -0.236 1.00 0.00 H new ATOM 1134 N ALA A 78 -0.244 -10.500 -1.345 1.00 0.00 N ATOM 1135 CA ALA A 78 1.141 -10.953 -1.337 1.00 0.00 C ATOM 1136 C ALA A 78 2.060 -9.901 -0.725 1.00 0.00 C ATOM 1137 O ALA A 78 3.009 -10.230 -0.011 1.00 0.00 O ATOM 1138 CB ALA A 78 1.593 -11.294 -2.749 1.00 0.00 C ATOM 0 H ALA A 78 -0.683 -10.501 -2.266 1.00 0.00 H new ATOM 0 HA ALA A 78 1.200 -11.851 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.629 -11.631 -2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.962 -12.086 -3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.512 -10.409 -3.381 1.00 0.00 H new ATOM 1144 N LEU A 79 1.774 -8.635 -1.008 1.00 0.00 N ATOM 1145 CA LEU A 79 2.575 -7.534 -0.486 1.00 0.00 C ATOM 1146 C LEU A 79 2.257 -7.279 0.984 1.00 0.00 C ATOM 1147 O LEU A 79 1.093 -7.174 1.368 1.00 0.00 O ATOM 1148 CB LEU A 79 2.325 -6.264 -1.301 1.00 0.00 C ATOM 1149 CG LEU A 79 2.501 -6.393 -2.815 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.742 -5.290 -3.536 1.00 0.00 C ATOM 1151 CD2 LEU A 79 3.977 -6.357 -3.185 1.00 0.00 C ATOM 0 H LEU A 79 0.993 -8.346 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 79 3.626 -7.811 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.310 -5.922 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.000 -5.487 -0.942 1.00 0.00 H new ATOM 0 HG LEU A 79 2.091 -7.353 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.879 -5.398 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.681 -5.361 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.121 -4.319 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.084 -6.450 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.411 -5.412 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.495 -7.183 -2.697 1.00 0.00 H new ATOM 1163 N ASN A 80 3.301 -7.179 1.801 1.00 0.00 N ATOM 1164 CA ASN A 80 3.133 -6.934 3.229 1.00 0.00 C ATOM 1165 C ASN A 80 3.606 -5.531 3.600 1.00 0.00 C ATOM 1166 O ASN A 80 4.329 -4.888 2.839 1.00 0.00 O ATOM 1167 CB ASN A 80 3.906 -7.976 4.040 1.00 0.00 C ATOM 1168 CG ASN A 80 3.706 -7.809 5.534 1.00 0.00 C ATOM 1169 OD1 ASN A 80 2.580 -7.859 6.031 1.00 0.00 O ATOM 1170 ND2 ASN A 80 4.800 -7.611 6.259 1.00 0.00 N ATOM 0 H ASN A 80 4.271 -7.264 1.499 1.00 0.00 H new ATOM 0 HA ASN A 80 2.072 -7.014 3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.586 -8.975 3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.968 -7.899 3.807 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.728 -7.493 7.270 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.713 -7.577 5.806 1.00 0.00 H new ATOM 1177 N SER A 81 3.193 -5.065 4.774 1.00 0.00 N ATOM 1178 CA SER A 81 3.571 -3.738 5.245 1.00 0.00 C ATOM 1179 C SER A 81 4.999 -3.400 4.827 1.00 0.00 C ATOM 1180 O SER A 81 5.272 -2.303 4.339 1.00 0.00 O ATOM 1181 CB SER A 81 3.441 -3.657 6.767 1.00 0.00 C ATOM 1182 OG SER A 81 3.194 -2.327 7.188 1.00 0.00 O ATOM 0 H SER A 81 2.597 -5.587 5.416 1.00 0.00 H new ATOM 0 HA SER A 81 2.896 -3.013 4.791 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.630 -4.304 7.101 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.355 -4.025 7.233 1.00 0.00 H new ATOM 0 HG SER A 81 3.113 -2.303 8.164 1.00 0.00 H new ATOM 1188 N SER A 82 5.907 -4.351 5.022 1.00 0.00 N ATOM 1189 CA SER A 82 7.308 -4.154 4.669 1.00 0.00 C ATOM 1190 C SER A 82 7.452 -3.796 3.193 1.00 0.00 C ATOM 1191 O SER A 82 7.930 -2.716 2.849 1.00 0.00 O ATOM 1192 CB SER A 82 8.117 -5.414 4.982 1.00 0.00 C ATOM 1193 OG SER A 82 9.493 -5.113 5.135 1.00 0.00 O ATOM 0 H SER A 82 5.698 -5.265 5.422 1.00 0.00 H new ATOM 0 HA SER A 82 7.694 -3.326 5.264 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.739 -5.875 5.895 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.988 -6.141 4.180 1.00 0.00 H new ATOM 0 HG SER A 82 9.987 -5.935 5.336 1.00 0.00 H new ATOM 1199 N MET A 83 7.035 -4.713 2.326 1.00 0.00 N ATOM 1200 CA MET A 83 7.116 -4.495 0.886 1.00 0.00 C ATOM 1201 C MET A 83 6.437 -3.185 0.496 1.00 0.00 C ATOM 1202 O MET A 83 7.031 -2.345 -0.182 1.00 0.00 O ATOM 1203 CB MET A 83 6.471 -5.661 0.135 1.00 0.00 C ATOM 1204 CG MET A 83 7.260 -6.956 0.230 1.00 0.00 C ATOM 1205 SD MET A 83 6.213 -8.419 0.101 1.00 0.00 S ATOM 1206 CE MET A 83 6.557 -9.219 1.666 1.00 0.00 C ATOM 0 H MET A 83 6.638 -5.613 2.595 1.00 0.00 H new ATOM 0 HA MET A 83 8.169 -4.434 0.611 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.468 -5.826 0.530 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.360 -5.389 -0.915 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.009 -6.979 -0.561 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.797 -6.981 1.178 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.707 -9.839 1.952 1.00 0.00 H new ATOM 0 HE2 MET A 83 7.445 -9.843 1.568 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.728 -8.462 2.432 1.00 0.00 H new ATOM 1216 N LEU A 84 5.192 -3.018 0.927 1.00 0.00 N ATOM 1217 CA LEU A 84 4.433 -1.811 0.622 1.00 0.00 C ATOM 1218 C LEU A 84 5.280 -0.563 0.848 1.00 0.00 C ATOM 1219 O LEU A 84 5.328 0.330 0.001 1.00 0.00 O ATOM 1220 CB LEU A 84 3.171 -1.747 1.484 1.00 0.00 C ATOM 1221 CG LEU A 84 1.987 -2.587 1.004 1.00 0.00 C ATOM 1222 CD1 LEU A 84 0.933 -2.697 2.095 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.387 -1.990 -0.261 1.00 0.00 C ATOM 0 H LEU A 84 4.687 -3.703 1.489 1.00 0.00 H new ATOM 0 HA LEU A 84 4.147 -1.848 -0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.429 -2.063 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.851 -0.707 1.547 1.00 0.00 H new ATOM 0 HG LEU A 84 2.348 -3.589 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.098 -3.298 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.368 -3.170 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.576 -1.701 2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.546 -2.601 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.042 -0.977 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.143 -1.964 -1.045 1.00 0.00 H new ATOM 1235 N LYS A 85 5.950 -0.508 1.994 1.00 0.00 N ATOM 1236 CA LYS A 85 6.799 0.628 2.331 1.00 0.00 C ATOM 1237 C LYS A 85 7.724 0.980 1.169 1.00 0.00 C ATOM 1238 O LYS A 85 7.689 2.097 0.653 1.00 0.00 O ATOM 1239 CB LYS A 85 7.627 0.319 3.580 1.00 0.00 C ATOM 1240 CG LYS A 85 8.393 1.517 4.114 1.00 0.00 C ATOM 1241 CD LYS A 85 8.699 1.368 5.595 1.00 0.00 C ATOM 1242 CE LYS A 85 7.459 1.594 6.446 1.00 0.00 C ATOM 1243 NZ LYS A 85 7.804 1.860 7.870 1.00 0.00 N ATOM 0 H LYS A 85 5.921 -1.238 2.706 1.00 0.00 H new ATOM 0 HA LYS A 85 6.155 1.484 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.965 -0.056 4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.332 -0.479 3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.324 1.632 3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.811 2.424 3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.097 0.371 5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.473 2.080 5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.893 2.435 6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.813 0.718 6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.932 2.009 8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.322 1.047 8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.399 2.711 7.930 1.00 0.00 H new ATOM 1257 N ASP A 86 8.547 0.020 0.763 1.00 0.00 N ATOM 1258 CA ASP A 86 9.479 0.228 -0.339 1.00 0.00 C ATOM 1259 C ASP A 86 8.746 0.713 -1.586 1.00 0.00 C ATOM 1260 O ASP A 86 9.106 1.734 -2.172 1.00 0.00 O ATOM 1261 CB ASP A 86 10.234 -1.066 -0.648 1.00 0.00 C ATOM 1262 CG ASP A 86 11.250 -0.892 -1.759 1.00 0.00 C ATOM 1263 OD1 ASP A 86 12.139 -0.026 -1.621 1.00 0.00 O ATOM 1264 OD2 ASP A 86 11.157 -1.624 -2.767 1.00 0.00 O ATOM 0 H ASP A 86 8.588 -0.910 1.180 1.00 0.00 H new ATOM 0 HA ASP A 86 10.194 0.994 -0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.741 -1.412 0.253 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.521 -1.841 -0.930 1.00 0.00 H new ATOM 1269 N PHE A 87 7.717 -0.027 -1.987 1.00 0.00 N ATOM 1270 CA PHE A 87 6.934 0.327 -3.165 1.00 0.00 C ATOM 1271 C PHE A 87 6.529 1.798 -3.128 1.00 0.00 C ATOM 1272 O PHE A 87 6.800 2.552 -4.063 1.00 0.00 O ATOM 1273 CB PHE A 87 5.688 -0.555 -3.259 1.00 0.00 C ATOM 1274 CG PHE A 87 5.938 -1.877 -3.927 1.00 0.00 C ATOM 1275 CD1 PHE A 87 6.904 -2.743 -3.439 1.00 0.00 C ATOM 1276 CD2 PHE A 87 5.206 -2.255 -5.041 1.00 0.00 C ATOM 1277 CE1 PHE A 87 7.136 -3.959 -4.052 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.434 -3.470 -5.658 1.00 0.00 C ATOM 1279 CZ PHE A 87 6.400 -4.324 -5.162 1.00 0.00 C ATOM 0 H PHE A 87 7.406 -0.875 -1.513 1.00 0.00 H new ATOM 0 HA PHE A 87 7.555 0.162 -4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.301 -0.732 -2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.914 -0.020 -3.809 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.482 -2.464 -2.570 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.448 -1.592 -5.432 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.893 -4.624 -3.663 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.858 -3.752 -6.527 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.579 -5.275 -5.641 1.00 0.00 H new ATOM 1289 N LEU A 88 5.878 2.198 -2.041 1.00 0.00 N ATOM 1290 CA LEU A 88 5.434 3.578 -1.881 1.00 0.00 C ATOM 1291 C LEU A 88 6.608 4.545 -1.999 1.00 0.00 C ATOM 1292 O LEU A 88 6.430 5.713 -2.344 1.00 0.00 O ATOM 1293 CB LEU A 88 4.744 3.759 -0.528 1.00 0.00 C ATOM 1294 CG LEU A 88 3.489 2.916 -0.297 1.00 0.00 C ATOM 1295 CD1 LEU A 88 3.118 2.903 1.178 1.00 0.00 C ATOM 1296 CD2 LEU A 88 2.332 3.440 -1.135 1.00 0.00 C ATOM 0 H LEU A 88 5.646 1.587 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 88 4.723 3.799 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.463 3.527 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.477 4.810 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 88 3.701 1.893 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.223 2.298 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.939 2.479 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.926 3.922 1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.448 2.828 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.120 4.473 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.598 3.395 -2.191 1.00 0.00 H new ATOM 1308 N SER A 89 7.807 4.049 -1.711 1.00 0.00 N ATOM 1309 CA SER A 89 9.011 4.870 -1.784 1.00 0.00 C ATOM 1310 C SER A 89 9.648 4.779 -3.167 1.00 0.00 C ATOM 1311 O SER A 89 10.872 4.787 -3.299 1.00 0.00 O ATOM 1312 CB SER A 89 10.016 4.433 -0.716 1.00 0.00 C ATOM 1313 OG SER A 89 9.802 5.127 0.501 1.00 0.00 O ATOM 0 H SER A 89 7.971 3.084 -1.425 1.00 0.00 H new ATOM 0 HA SER A 89 8.727 5.907 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.928 3.360 -0.547 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.030 4.617 -1.070 1.00 0.00 H new ATOM 0 HG SER A 89 10.456 4.828 1.167 1.00 0.00 H new ATOM 1319 N GLN A 90 8.809 4.692 -4.194 1.00 0.00 N ATOM 1320 CA GLN A 90 9.290 4.598 -5.567 1.00 0.00 C ATOM 1321 C GLN A 90 8.816 5.789 -6.392 1.00 0.00 C ATOM 1322 O GLN A 90 7.735 6.337 -6.173 1.00 0.00 O ATOM 1323 CB GLN A 90 8.812 3.295 -6.209 1.00 0.00 C ATOM 1324 CG GLN A 90 9.326 2.047 -5.509 1.00 0.00 C ATOM 1325 CD GLN A 90 10.677 1.599 -6.031 1.00 0.00 C ATOM 1326 OE1 GLN A 90 10.992 1.781 -7.208 1.00 0.00 O ATOM 1327 NE2 GLN A 90 11.484 1.010 -5.157 1.00 0.00 N ATOM 0 H GLN A 90 7.793 4.685 -4.101 1.00 0.00 H new ATOM 0 HA GLN A 90 10.380 4.605 -5.545 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.722 3.278 -6.209 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.131 3.275 -7.251 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.400 2.240 -4.439 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.605 1.240 -5.638 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.182 0.880 -4.191 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.406 0.688 -5.451 1.00 0.00 H new ATOM 1336 N PRO A 91 9.642 6.202 -7.365 1.00 0.00 N ATOM 1337 CA PRO A 91 9.328 7.333 -8.243 1.00 0.00 C ATOM 1338 C PRO A 91 8.189 7.019 -9.208 1.00 0.00 C ATOM 1339 O PRO A 91 7.597 7.922 -9.799 1.00 0.00 O ATOM 1340 CB PRO A 91 10.632 7.559 -9.011 1.00 0.00 C ATOM 1341 CG PRO A 91 11.317 6.236 -8.992 1.00 0.00 C ATOM 1342 CD PRO A 91 10.946 5.596 -7.683 1.00 0.00 C ATOM 0 HA PRO A 91 8.992 8.204 -7.681 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.438 7.890 -10.031 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.242 8.328 -8.537 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.998 5.619 -9.832 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.397 6.355 -9.076 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.875 4.512 -7.772 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.685 5.805 -6.910 1.00 0.00 H new ATOM 1350 N SER A 92 7.888 5.734 -9.363 1.00 0.00 N ATOM 1351 CA SER A 92 6.822 5.301 -10.259 1.00 0.00 C ATOM 1352 C SER A 92 6.103 4.079 -9.696 1.00 0.00 C ATOM 1353 O SER A 92 6.732 3.079 -9.348 1.00 0.00 O ATOM 1354 CB SER A 92 7.390 4.980 -11.643 1.00 0.00 C ATOM 1355 OG SER A 92 8.376 3.965 -11.567 1.00 0.00 O ATOM 0 H SER A 92 8.367 4.974 -8.880 1.00 0.00 H new ATOM 0 HA SER A 92 6.103 6.115 -10.349 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.585 4.660 -12.305 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.823 5.880 -12.079 1.00 0.00 H new ATOM 0 HG SER A 92 8.155 3.348 -10.839 1.00 0.00 H new ATOM 1361 N LEU A 93 4.780 4.167 -9.610 1.00 0.00 N ATOM 1362 CA LEU A 93 3.972 3.069 -9.090 1.00 0.00 C ATOM 1363 C LEU A 93 2.828 2.736 -10.043 1.00 0.00 C ATOM 1364 O LEU A 93 2.280 3.617 -10.702 1.00 0.00 O ATOM 1365 CB LEU A 93 3.415 3.428 -7.712 1.00 0.00 C ATOM 1366 CG LEU A 93 4.313 3.100 -6.518 1.00 0.00 C ATOM 1367 CD1 LEU A 93 3.691 3.608 -5.227 1.00 0.00 C ATOM 1368 CD2 LEU A 93 4.565 1.601 -6.437 1.00 0.00 C ATOM 0 H LEU A 93 4.244 4.987 -9.894 1.00 0.00 H new ATOM 0 HA LEU A 93 4.612 2.191 -8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.200 4.496 -7.696 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.465 2.910 -7.580 1.00 0.00 H new ATOM 0 HG LEU A 93 5.270 3.603 -6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.344 3.366 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.562 4.689 -5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.720 3.134 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.206 1.385 -5.582 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.616 1.078 -6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.054 1.264 -7.351 1.00 0.00 H new ATOM 1380 N GLY A 94 2.472 1.456 -10.107 1.00 0.00 N ATOM 1381 CA GLY A 94 1.394 1.029 -10.980 1.00 0.00 C ATOM 1382 C GLY A 94 0.303 0.287 -10.233 1.00 0.00 C ATOM 1383 O GLY A 94 0.456 -0.889 -9.903 1.00 0.00 O ATOM 0 H GLY A 94 2.911 0.708 -9.570 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.964 1.900 -11.474 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.797 0.386 -11.762 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.801 0.976 -9.965 1.00 0.00 N ATOM 1388 CA LEU A 95 -1.922 0.375 -9.250 1.00 0.00 C ATOM 1389 C LEU A 95 -3.007 -0.078 -10.222 1.00 0.00 C ATOM 1390 O LEU A 95 -3.203 0.527 -11.277 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.504 1.371 -8.246 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.507 2.008 -7.277 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -2.165 3.139 -6.502 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -0.946 0.962 -6.325 1.00 0.00 C ATOM 0 H LEU A 95 -0.944 1.950 -10.232 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.553 -0.499 -8.713 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.000 2.167 -8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.272 0.862 -7.663 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.682 2.423 -7.855 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.441 3.580 -5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.517 3.900 -7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.009 2.748 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.238 1.433 -5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.760 0.517 -5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.437 0.186 -6.896 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.711 -1.144 -9.859 1.00 0.00 N ATOM 1407 CA LEU A 96 -4.779 -1.678 -10.698 1.00 0.00 C ATOM 1408 C LEU A 96 -6.099 -1.723 -9.935 1.00 0.00 C ATOM 1409 O LEU A 96 -6.337 -2.631 -9.138 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.414 -3.078 -11.193 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.458 -3.774 -12.068 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -5.613 -3.046 -13.394 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -5.077 -5.229 -12.297 1.00 0.00 C ATOM 0 H LEU A 96 -3.562 -1.656 -8.989 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.899 -1.017 -11.556 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.483 -3.011 -11.756 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.217 -3.708 -10.326 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.416 -3.748 -11.549 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.360 -3.555 -14.003 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.932 -2.020 -13.211 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.658 -3.040 -13.920 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.831 -5.709 -12.921 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.109 -5.277 -12.795 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.018 -5.745 -11.339 1.00 0.00 H new ATOM 1425 N VAL A 97 -6.956 -0.739 -10.187 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.255 -0.668 -9.526 1.00 0.00 C ATOM 1427 C VAL A 97 -9.390 -0.852 -10.526 1.00 0.00 C ATOM 1428 O VAL A 97 -9.196 -0.715 -11.734 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.440 0.676 -8.797 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.367 0.860 -7.735 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.423 1.828 -9.790 1.00 0.00 C ATOM 0 H VAL A 97 -6.775 0.020 -10.844 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.284 -1.476 -8.795 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.410 0.669 -8.301 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.514 1.815 -7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.433 0.051 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.384 0.846 -8.205 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.555 2.770 -9.257 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.469 1.840 -10.317 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.233 1.701 -10.508 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.577 -1.163 -10.015 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.745 -1.367 -10.863 1.00 0.00 C ATOM 1443 C ARG A 98 -12.669 -0.153 -10.817 1.00 0.00 C ATOM 1444 O ARG A 98 -12.731 0.556 -9.813 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.508 -2.619 -10.425 1.00 0.00 C ATOM 1446 CG ARG A 98 -12.032 -3.892 -11.106 1.00 0.00 C ATOM 1447 CD ARG A 98 -12.779 -5.112 -10.590 1.00 0.00 C ATOM 1448 NE ARG A 98 -12.095 -6.356 -10.931 1.00 0.00 N ATOM 1449 CZ ARG A 98 -12.228 -6.971 -12.101 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -13.013 -6.459 -13.038 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -11.572 -8.101 -12.336 1.00 0.00 N ATOM 0 H ARG A 98 -10.755 -1.279 -9.017 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.399 -1.501 -11.888 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.409 -2.736 -9.346 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.569 -2.480 -10.635 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.175 -3.805 -12.183 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.963 -4.019 -10.935 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.885 -5.041 -9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.785 -5.125 -11.009 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.481 -6.776 -10.233 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.517 -5.590 -12.862 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.113 -6.934 -13.935 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.966 -8.497 -11.618 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.674 -8.573 -13.234 1.00 0.00 H new ATOM 1465 N THR A 99 -13.385 0.080 -11.913 1.00 0.00 N ATOM 1466 CA THR A 99 -14.304 1.208 -11.999 1.00 0.00 C ATOM 1467 C THR A 99 -15.519 0.863 -12.852 1.00 0.00 C ATOM 1468 O THR A 99 -15.471 -0.048 -13.679 1.00 0.00 O ATOM 1469 CB THR A 99 -13.613 2.452 -12.589 1.00 0.00 C ATOM 1470 OG1 THR A 99 -14.430 3.610 -12.384 1.00 0.00 O ATOM 1471 CG2 THR A 99 -13.347 2.269 -14.076 1.00 0.00 C ATOM 0 H THR A 99 -13.346 -0.497 -12.753 1.00 0.00 H new ATOM 0 HA THR A 99 -14.628 1.430 -10.982 1.00 0.00 H new ATOM 0 HB THR A 99 -12.659 2.587 -12.079 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.983 4.397 -12.760 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.859 3.160 -14.471 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.701 1.404 -14.226 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.291 2.111 -14.598 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.608 1.597 -12.647 1.00 0.00 N ATOM 1480 CA TYR A 100 -17.837 1.367 -13.396 1.00 0.00 C ATOM 1481 C TYR A 100 -17.797 2.085 -14.742 1.00 0.00 C ATOM 1482 O TYR A 100 -17.447 3.262 -14.836 1.00 0.00 O ATOM 1483 CB TYR A 100 -19.047 1.840 -12.589 1.00 0.00 C ATOM 1484 CG TYR A 100 -18.995 1.444 -11.131 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -18.329 2.231 -10.200 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -19.613 0.282 -10.685 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -18.279 1.872 -8.867 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -19.568 -0.084 -9.353 1.00 0.00 C ATOM 1489 CZ TYR A 100 -18.900 0.714 -8.448 1.00 0.00 C ATOM 1490 OH TYR A 100 -18.853 0.353 -7.121 1.00 0.00 O ATOM 0 H TYR A 100 -16.664 2.356 -11.968 1.00 0.00 H new ATOM 0 HA TYR A 100 -17.926 0.296 -13.578 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -19.118 2.925 -12.660 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -19.953 1.431 -13.036 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -17.842 3.139 -10.524 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -20.137 -0.345 -11.391 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -17.756 2.495 -8.156 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -20.053 -0.990 -9.023 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.340 -0.487 -6.993 1.00 0.00 H new