USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot 170:sc= 0.484 USER MOD Set 1.2: A 60 GLN : amide:sc= 1.3 K(o=2.1,f=1.6) USER MOD Set 1.3: A 78 THR OG1 : rot 180:sc= 0.329 USER MOD Single : A 16 ASN : amide:sc= -1.19 K(o=-1.2,f=-4.1!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.951 K(o=-0.95,f=-4.7!) USER MOD Single : A 24 SER OG : rot 64:sc= 0.364 USER MOD Single : A 25 TYR OH : rot -15:sc= -0.603 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -3.23 X(o=-3.2,f=-3.4) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 84:sc= 0.226 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 51:sc= 1.09 USER MOD Single : A 65 ASN : amide:sc=-0.00831 K(o=-0.0083,f=-1.3!) USER MOD Single : A 70 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 73 CYS SG : rot 160:sc= -1.49 USER MOD Single : A 76 HIS : no HD1:sc= 0.121 K(o=0.12,f=-1.7!) USER MOD Single : A 77 THR OG1 : rot -170:sc= 0.04 USER MOD Single : A 82 GLN : amide:sc= -3.11! K(o=-3.1!,f=0.58) USER MOD Single : A 84 LYS NZ :NH3+ -166:sc=-0.000705 (180deg=-0.119) USER MOD Single : A 87 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.56) USER MOD Single : A 93 GLN : amide:sc= -0.0373 X(o=-0.037,f=-0.35) USER MOD Single : A 94 CYS SG : rot 66:sc= -1.55 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 108:sc= -4.23! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 166 N VAL A 15 -8.562 -9.355 -0.484 1.00 0.00 N ATOM 167 CA VAL A 15 -8.015 -9.303 0.866 1.00 0.00 C ATOM 168 C VAL A 15 -6.973 -8.198 0.994 1.00 0.00 C ATOM 169 O VAL A 15 -6.254 -7.895 0.043 1.00 0.00 O ATOM 170 CB VAL A 15 -7.375 -10.646 1.265 1.00 0.00 C ATOM 171 CG1 VAL A 15 -6.748 -10.549 2.647 1.00 0.00 C ATOM 172 CG2 VAL A 15 -8.407 -11.763 1.215 1.00 0.00 C ATOM 0 HA VAL A 15 -8.848 -9.093 1.537 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.586 -10.880 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.301 -11.507 2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.978 -9.778 2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.515 -10.292 3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.938 -12.705 1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.220 -11.539 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.804 -11.847 0.203 1.00 0.00 H new ATOM 182 N ASN A 16 -6.896 -7.599 2.179 1.00 0.00 N ATOM 183 CA ASN A 16 -5.940 -6.526 2.432 1.00 0.00 C ATOM 184 C ASN A 16 -4.901 -6.956 3.463 1.00 0.00 C ATOM 185 O ASN A 16 -5.241 -7.318 4.590 1.00 0.00 O ATOM 186 CB ASN A 16 -6.668 -5.271 2.917 1.00 0.00 C ATOM 187 CG ASN A 16 -7.177 -4.418 1.771 1.00 0.00 C ATOM 188 OD1 ASN A 16 -6.628 -3.356 1.482 1.00 0.00 O ATOM 189 ND2 ASN A 16 -8.234 -4.882 1.113 1.00 0.00 N ATOM 0 H ASN A 16 -7.483 -7.838 2.978 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.427 -6.301 1.497 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.506 -5.562 3.550 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.993 -4.679 3.535 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.622 -4.352 0.333 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.657 -5.768 1.388 1.00 0.00 H new ATOM 196 N LEU A 17 -3.633 -6.912 3.069 1.00 0.00 N ATOM 197 CA LEU A 17 -2.542 -7.296 3.959 1.00 0.00 C ATOM 198 C LEU A 17 -2.262 -6.199 4.981 1.00 0.00 C ATOM 199 O LEU A 17 -2.480 -5.018 4.714 1.00 0.00 O ATOM 200 CB LEU A 17 -1.278 -7.591 3.150 1.00 0.00 C ATOM 201 CG LEU A 17 -1.448 -8.533 1.959 1.00 0.00 C ATOM 202 CD1 LEU A 17 -0.299 -8.365 0.976 1.00 0.00 C ATOM 203 CD2 LEU A 17 -1.541 -9.977 2.430 1.00 0.00 C ATOM 0 H LEU A 17 -3.335 -6.615 2.140 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.842 -8.197 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.875 -6.646 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.532 -8.017 3.821 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.376 -8.277 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.438 -9.044 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.278 -7.337 0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.643 -8.593 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.662 -10.634 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.630 -10.245 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.398 -10.089 3.094 1.00 0.00 H new ATOM 215 N ALA A 18 -1.775 -6.599 6.152 1.00 0.00 N ATOM 216 CA ALA A 18 -1.461 -5.650 7.212 1.00 0.00 C ATOM 217 C ALA A 18 0.046 -5.527 7.410 1.00 0.00 C ATOM 218 O ALA A 18 0.563 -4.438 7.665 1.00 0.00 O ATOM 219 CB ALA A 18 -2.133 -6.068 8.512 1.00 0.00 C ATOM 0 H ALA A 18 -1.590 -7.574 6.390 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.844 -4.673 6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.889 -5.350 9.295 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.213 -6.098 8.370 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.778 -7.057 8.804 1.00 0.00 H new ATOM 225 N PHE A 19 0.747 -6.650 7.292 1.00 0.00 N ATOM 226 CA PHE A 19 2.196 -6.668 7.459 1.00 0.00 C ATOM 227 C PHE A 19 2.844 -7.648 6.486 1.00 0.00 C ATOM 228 O PHE A 19 2.609 -8.855 6.555 1.00 0.00 O ATOM 229 CB PHE A 19 2.560 -7.043 8.897 1.00 0.00 C ATOM 230 CG PHE A 19 3.914 -7.680 9.026 1.00 0.00 C ATOM 231 CD1 PHE A 19 5.032 -7.079 8.470 1.00 0.00 C ATOM 232 CD2 PHE A 19 4.069 -8.878 9.704 1.00 0.00 C ATOM 233 CE1 PHE A 19 6.279 -7.663 8.587 1.00 0.00 C ATOM 234 CE2 PHE A 19 5.314 -9.467 9.824 1.00 0.00 C ATOM 235 CZ PHE A 19 6.421 -8.858 9.266 1.00 0.00 C ATOM 0 H PHE A 19 0.335 -7.559 7.081 1.00 0.00 H new ATOM 0 HA PHE A 19 2.574 -5.668 7.245 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.528 -6.147 9.517 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.807 -7.727 9.287 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.928 -6.144 7.939 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.207 -9.358 10.144 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.142 -7.185 8.148 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.421 -10.402 10.353 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.395 -9.315 9.360 1.00 0.00 H new ATOM 245 N VAL A 20 3.660 -7.121 5.579 1.00 0.00 N ATOM 246 CA VAL A 20 4.343 -7.949 4.592 1.00 0.00 C ATOM 247 C VAL A 20 5.854 -7.906 4.790 1.00 0.00 C ATOM 248 O VAL A 20 6.454 -6.832 4.847 1.00 0.00 O ATOM 249 CB VAL A 20 4.011 -7.499 3.157 1.00 0.00 C ATOM 250 CG1 VAL A 20 4.977 -8.126 2.164 1.00 0.00 C ATOM 251 CG2 VAL A 20 2.573 -7.850 2.808 1.00 0.00 C ATOM 0 H VAL A 20 3.864 -6.124 5.507 1.00 0.00 H new ATOM 0 HA VAL A 20 3.990 -8.970 4.736 1.00 0.00 H new ATOM 0 HB VAL A 20 4.121 -6.416 3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.727 -7.797 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.995 -7.820 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.902 -9.212 2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.356 -7.525 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.434 -8.929 2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.898 -7.349 3.501 1.00 0.00 H new ATOM 261 N LYS A 21 6.465 -9.081 4.892 1.00 0.00 N ATOM 262 CA LYS A 21 7.907 -9.180 5.082 1.00 0.00 C ATOM 263 C LYS A 21 8.654 -8.540 3.916 1.00 0.00 C ATOM 264 O LYS A 21 8.692 -9.087 2.815 1.00 0.00 O ATOM 265 CB LYS A 21 8.324 -10.646 5.225 1.00 0.00 C ATOM 266 CG LYS A 21 9.495 -10.856 6.169 1.00 0.00 C ATOM 267 CD LYS A 21 10.732 -10.109 5.699 1.00 0.00 C ATOM 268 CE LYS A 21 11.694 -9.846 6.846 1.00 0.00 C ATOM 269 NZ LYS A 21 11.409 -8.551 7.524 1.00 0.00 N ATOM 0 H LYS A 21 5.983 -9.979 4.846 1.00 0.00 H new ATOM 0 HA LYS A 21 8.166 -8.644 5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.472 -11.224 5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.586 -11.038 4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.223 -10.518 7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.718 -11.920 6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.236 -10.688 4.926 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.437 -9.162 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.626 -10.658 7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.716 -9.841 6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.087 -8.409 8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.499 -7.773 6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.442 -8.565 7.907 1.00 0.00 H new ATOM 283 N ASN A 22 9.249 -7.378 4.168 1.00 0.00 N ATOM 284 CA ASN A 22 9.996 -6.664 3.139 1.00 0.00 C ATOM 285 C ASN A 22 11.061 -5.767 3.764 1.00 0.00 C ATOM 286 O ASN A 22 11.018 -5.475 4.959 1.00 0.00 O ATOM 287 CB ASN A 22 9.048 -5.826 2.279 1.00 0.00 C ATOM 288 CG ASN A 22 8.583 -4.568 2.989 1.00 0.00 C ATOM 289 OD1 ASN A 22 8.789 -3.456 2.503 1.00 0.00 O ATOM 290 ND2 ASN A 22 7.953 -4.740 4.145 1.00 0.00 N ATOM 0 H ASN A 22 9.228 -6.912 5.075 1.00 0.00 H new ATOM 0 HA ASN A 22 10.492 -7.401 2.508 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.550 -5.552 1.351 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.181 -6.428 2.007 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.618 -3.931 4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.804 -5.681 4.510 1.00 0.00 H new ATOM 297 N ASP A 23 12.014 -5.332 2.947 1.00 0.00 N ATOM 298 CA ASP A 23 13.089 -4.467 3.418 1.00 0.00 C ATOM 299 C ASP A 23 13.407 -3.386 2.390 1.00 0.00 C ATOM 300 O ASP A 23 13.726 -3.684 1.239 1.00 0.00 O ATOM 301 CB ASP A 23 14.343 -5.290 3.714 1.00 0.00 C ATOM 302 CG ASP A 23 15.329 -4.548 4.594 1.00 0.00 C ATOM 303 OD1 ASP A 23 15.463 -3.317 4.427 1.00 0.00 O ATOM 304 OD2 ASP A 23 15.966 -5.197 5.450 1.00 0.00 O ATOM 0 H ASP A 23 12.064 -5.564 1.955 1.00 0.00 H new ATOM 0 HA ASP A 23 12.756 -3.984 4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.056 -6.222 4.201 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.828 -5.557 2.775 1.00 0.00 H new ATOM 309 N SER A 24 13.316 -2.129 2.813 1.00 0.00 N ATOM 310 CA SER A 24 13.589 -1.003 1.927 1.00 0.00 C ATOM 311 C SER A 24 14.767 -0.181 2.441 1.00 0.00 C ATOM 312 O SER A 24 14.798 0.222 3.604 1.00 0.00 O ATOM 313 CB SER A 24 12.350 -0.114 1.801 1.00 0.00 C ATOM 314 OG SER A 24 12.709 1.219 1.481 1.00 0.00 O ATOM 0 H SER A 24 13.056 -1.865 3.763 1.00 0.00 H new ATOM 0 HA SER A 24 13.845 -1.399 0.944 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.690 -0.511 1.030 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.791 -0.129 2.737 1.00 0.00 H new ATOM 0 HG SER A 24 13.131 1.241 0.597 1.00 0.00 H new ATOM 320 N TYR A 25 15.736 0.063 1.565 1.00 0.00 N ATOM 321 CA TYR A 25 16.918 0.835 1.929 1.00 0.00 C ATOM 322 C TYR A 25 16.904 2.204 1.257 1.00 0.00 C ATOM 323 O TYR A 25 16.381 2.360 0.154 1.00 0.00 O ATOM 324 CB TYR A 25 18.188 0.076 1.539 1.00 0.00 C ATOM 325 CG TYR A 25 18.302 -0.191 0.055 1.00 0.00 C ATOM 326 CD1 TYR A 25 17.715 -1.313 -0.516 1.00 0.00 C ATOM 327 CD2 TYR A 25 18.997 0.679 -0.775 1.00 0.00 C ATOM 328 CE1 TYR A 25 17.817 -1.561 -1.871 1.00 0.00 C ATOM 329 CE2 TYR A 25 19.103 0.440 -2.132 1.00 0.00 C ATOM 330 CZ TYR A 25 18.512 -0.682 -2.675 1.00 0.00 C ATOM 331 OH TYR A 25 18.615 -0.924 -4.025 1.00 0.00 O ATOM 0 H TYR A 25 15.726 -0.263 0.598 1.00 0.00 H new ATOM 0 HA TYR A 25 16.906 0.981 3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 25 19.057 0.647 1.865 1.00 0.00 H new ATOM 0 HB3 TYR A 25 18.212 -0.874 2.073 1.00 0.00 H new ATOM 0 HD1 TYR A 25 17.169 -2.003 0.110 1.00 0.00 H new ATOM 0 HD2 TYR A 25 19.463 1.557 -0.353 1.00 0.00 H new ATOM 0 HE1 TYR A 25 17.355 -2.439 -2.299 1.00 0.00 H new ATOM 0 HE2 TYR A 25 19.645 1.128 -2.764 1.00 0.00 H new ATOM 0 HH TYR A 25 18.361 -1.852 -4.211 1.00 0.00 H new ATOM 341 N GLU A 26 17.484 3.193 1.930 1.00 0.00 N ATOM 342 CA GLU A 26 17.538 4.549 1.398 1.00 0.00 C ATOM 343 C GLU A 26 18.558 4.650 0.267 1.00 0.00 C ATOM 344 O GLU A 26 19.764 4.704 0.506 1.00 0.00 O ATOM 345 CB GLU A 26 17.891 5.542 2.508 1.00 0.00 C ATOM 346 CG GLU A 26 16.798 5.703 3.551 1.00 0.00 C ATOM 347 CD GLU A 26 17.259 6.491 4.762 1.00 0.00 C ATOM 348 OE1 GLU A 26 18.307 6.134 5.339 1.00 0.00 O ATOM 349 OE2 GLU A 26 16.571 7.465 5.132 1.00 0.00 O ATOM 0 H GLU A 26 17.923 3.080 2.844 1.00 0.00 H new ATOM 0 HA GLU A 26 16.554 4.795 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.806 5.213 3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 26 18.101 6.514 2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.942 6.205 3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 26 16.458 4.718 3.871 1.00 0.00 H new ATOM 356 N LYS A 27 18.064 4.675 -0.966 1.00 0.00 N ATOM 357 CA LYS A 27 18.929 4.769 -2.136 1.00 0.00 C ATOM 358 C LYS A 27 18.897 6.177 -2.723 1.00 0.00 C ATOM 359 O LYS A 27 17.923 6.909 -2.554 1.00 0.00 O ATOM 360 CB LYS A 27 18.501 3.752 -3.196 1.00 0.00 C ATOM 361 CG LYS A 27 19.481 3.628 -4.350 1.00 0.00 C ATOM 362 CD LYS A 27 19.064 2.536 -5.320 1.00 0.00 C ATOM 363 CE LYS A 27 17.837 2.941 -6.123 1.00 0.00 C ATOM 364 NZ LYS A 27 17.744 2.194 -7.408 1.00 0.00 N ATOM 0 H LYS A 27 17.068 4.631 -1.181 1.00 0.00 H new ATOM 0 HA LYS A 27 19.949 4.548 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.382 2.776 -2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.525 4.037 -3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 27 19.545 4.580 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 27 20.476 3.411 -3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.888 2.317 -5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.853 1.620 -4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.940 2.759 -5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.873 4.011 -6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.895 2.498 -7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.588 2.387 -7.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.684 1.174 -7.213 1.00 0.00 H new ATOM 378 N GLY A 28 19.969 6.548 -3.417 1.00 0.00 N ATOM 379 CA GLY A 28 20.042 7.866 -4.020 1.00 0.00 C ATOM 380 C GLY A 28 19.555 8.958 -3.089 1.00 0.00 C ATOM 381 O GLY A 28 19.321 8.732 -1.902 1.00 0.00 O ATOM 0 H GLY A 28 20.788 5.960 -3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 28 21.072 8.073 -4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.446 7.878 -4.932 1.00 0.00 H new ATOM 385 N PRO A 29 19.395 10.175 -3.630 1.00 0.00 N ATOM 386 CA PRO A 29 18.932 11.330 -2.857 1.00 0.00 C ATOM 387 C PRO A 29 17.466 11.209 -2.456 1.00 0.00 C ATOM 388 O PRO A 29 17.120 11.347 -1.282 1.00 0.00 O ATOM 389 CB PRO A 29 19.128 12.504 -3.820 1.00 0.00 C ATOM 390 CG PRO A 29 19.067 11.893 -5.178 1.00 0.00 C ATOM 391 CD PRO A 29 19.655 10.516 -5.039 1.00 0.00 C ATOM 0 HA PRO A 29 19.476 11.436 -1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.351 13.257 -3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 29 20.084 12.999 -3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.039 11.844 -5.538 1.00 0.00 H new ATOM 0 HG3 PRO A 29 19.629 12.487 -5.899 1.00 0.00 H new ATOM 0 HD2 PRO A 29 19.182 9.807 -5.718 1.00 0.00 H new ATOM 0 HD3 PRO A 29 20.722 10.510 -5.264 1.00 0.00 H new ATOM 399 N ASP A 30 16.608 10.951 -3.437 1.00 0.00 N ATOM 400 CA ASP A 30 15.179 10.810 -3.186 1.00 0.00 C ATOM 401 C ASP A 30 14.672 9.457 -3.675 1.00 0.00 C ATOM 402 O ASP A 30 13.489 9.297 -3.975 1.00 0.00 O ATOM 403 CB ASP A 30 14.405 11.936 -3.873 1.00 0.00 C ATOM 404 CG ASP A 30 15.065 12.391 -5.160 1.00 0.00 C ATOM 405 OD1 ASP A 30 15.615 11.532 -5.879 1.00 0.00 O ATOM 406 OD2 ASP A 30 15.031 13.606 -5.447 1.00 0.00 O ATOM 0 H ASP A 30 16.878 10.835 -4.414 1.00 0.00 H new ATOM 0 HA ASP A 30 15.017 10.872 -2.110 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.391 11.598 -4.088 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.321 12.783 -3.192 1.00 0.00 H new ATOM 411 N SER A 31 15.576 8.485 -3.752 1.00 0.00 N ATOM 412 CA SER A 31 15.222 7.146 -4.209 1.00 0.00 C ATOM 413 C SER A 31 15.020 6.204 -3.026 1.00 0.00 C ATOM 414 O SER A 31 15.675 6.338 -1.992 1.00 0.00 O ATOM 415 CB SER A 31 16.309 6.596 -5.134 1.00 0.00 C ATOM 416 OG SER A 31 16.646 7.535 -6.140 1.00 0.00 O ATOM 0 H SER A 31 16.559 8.600 -3.504 1.00 0.00 H new ATOM 0 HA SER A 31 14.285 7.213 -4.762 1.00 0.00 H new ATOM 0 HB2 SER A 31 17.196 6.349 -4.551 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.964 5.671 -5.596 1.00 0.00 H new ATOM 0 HG SER A 31 17.344 7.160 -6.717 1.00 0.00 H new ATOM 422 N VAL A 32 14.108 5.250 -3.187 1.00 0.00 N ATOM 423 CA VAL A 32 13.819 4.284 -2.133 1.00 0.00 C ATOM 424 C VAL A 32 13.425 2.934 -2.720 1.00 0.00 C ATOM 425 O VAL A 32 12.355 2.791 -3.312 1.00 0.00 O ATOM 426 CB VAL A 32 12.690 4.781 -1.211 1.00 0.00 C ATOM 427 CG1 VAL A 32 12.415 3.767 -0.110 1.00 0.00 C ATOM 428 CG2 VAL A 32 13.043 6.138 -0.621 1.00 0.00 C ATOM 0 H VAL A 32 13.557 5.125 -4.036 1.00 0.00 H new ATOM 0 HA VAL A 32 14.731 4.170 -1.548 1.00 0.00 H new ATOM 0 HB VAL A 32 11.782 4.893 -1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.614 4.135 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.116 2.818 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.317 3.621 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.234 6.474 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.962 6.055 -0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.186 6.859 -1.426 1.00 0.00 H new ATOM 438 N VAL A 33 14.296 1.944 -2.551 1.00 0.00 N ATOM 439 CA VAL A 33 14.038 0.603 -3.062 1.00 0.00 C ATOM 440 C VAL A 33 13.362 -0.267 -2.008 1.00 0.00 C ATOM 441 O VAL A 33 13.633 -0.137 -0.814 1.00 0.00 O ATOM 442 CB VAL A 33 15.339 -0.083 -3.520 1.00 0.00 C ATOM 443 CG1 VAL A 33 15.092 -1.555 -3.814 1.00 0.00 C ATOM 444 CG2 VAL A 33 15.912 0.624 -4.739 1.00 0.00 C ATOM 0 H VAL A 33 15.187 2.046 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 33 13.373 0.714 -3.918 1.00 0.00 H new ATOM 0 HB VAL A 33 16.069 -0.016 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.022 -2.023 -4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.730 -2.050 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.347 -1.648 -4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.831 0.127 -5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.188 0.590 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.128 1.663 -4.489 1.00 0.00 H new ATOM 454 N VAL A 34 12.481 -1.155 -2.457 1.00 0.00 N ATOM 455 CA VAL A 34 11.767 -2.048 -1.553 1.00 0.00 C ATOM 456 C VAL A 34 11.933 -3.504 -1.973 1.00 0.00 C ATOM 457 O VAL A 34 11.766 -3.846 -3.144 1.00 0.00 O ATOM 458 CB VAL A 34 10.265 -1.709 -1.499 1.00 0.00 C ATOM 459 CG1 VAL A 34 9.556 -2.586 -0.479 1.00 0.00 C ATOM 460 CG2 VAL A 34 10.063 -0.235 -1.180 1.00 0.00 C ATOM 0 H VAL A 34 12.245 -1.275 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 34 12.200 -1.907 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 34 9.830 -1.908 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.496 -2.332 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.672 -3.634 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.991 -2.422 0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.996 -0.013 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.512 -0.007 -0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.535 0.372 -1.952 1.00 0.00 H new ATOM 470 N HIS A 35 12.264 -4.358 -1.009 1.00 0.00 N ATOM 471 CA HIS A 35 12.453 -5.779 -1.279 1.00 0.00 C ATOM 472 C HIS A 35 11.427 -6.616 -0.522 1.00 0.00 C ATOM 473 O HIS A 35 11.559 -6.840 0.682 1.00 0.00 O ATOM 474 CB HIS A 35 13.867 -6.210 -0.890 1.00 0.00 C ATOM 475 CG HIS A 35 14.930 -5.654 -1.787 1.00 0.00 C ATOM 476 ND1 HIS A 35 16.142 -6.279 -1.994 1.00 0.00 N ATOM 477 CD2 HIS A 35 14.958 -4.526 -2.535 1.00 0.00 C ATOM 478 CE1 HIS A 35 16.870 -5.558 -2.829 1.00 0.00 C ATOM 479 NE2 HIS A 35 16.173 -4.490 -3.172 1.00 0.00 N ATOM 0 H HIS A 35 12.407 -4.091 -0.035 1.00 0.00 H new ATOM 0 HA HIS A 35 12.313 -5.943 -2.347 1.00 0.00 H new ATOM 0 HB2 HIS A 35 14.066 -5.894 0.134 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.923 -7.298 -0.905 1.00 0.00 H new ATOM 0 HD1 HIS A 35 16.431 -7.160 -1.569 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.171 -3.791 -2.615 1.00 0.00 H new ATOM 0 HE1 HIS A 35 17.865 -5.801 -3.172 1.00 0.00 H new ATOM 488 N VAL A 36 10.403 -7.076 -1.235 1.00 0.00 N ATOM 489 CA VAL A 36 9.355 -7.890 -0.630 1.00 0.00 C ATOM 490 C VAL A 36 9.683 -9.375 -0.733 1.00 0.00 C ATOM 491 O VAL A 36 10.041 -9.869 -1.802 1.00 0.00 O ATOM 492 CB VAL A 36 7.990 -7.629 -1.294 1.00 0.00 C ATOM 493 CG1 VAL A 36 6.883 -8.353 -0.542 1.00 0.00 C ATOM 494 CG2 VAL A 36 7.709 -6.136 -1.366 1.00 0.00 C ATOM 0 H VAL A 36 10.277 -6.899 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 36 9.300 -7.606 0.421 1.00 0.00 H new ATOM 0 HB VAL A 36 8.020 -8.019 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.926 -8.157 -1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.080 -9.425 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.849 -7.996 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.741 -5.970 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.698 -5.719 -0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.487 -5.647 -1.953 1.00 0.00 H new ATOM 504 N TYR A 37 9.557 -10.081 0.385 1.00 0.00 N ATOM 505 CA TYR A 37 9.842 -11.511 0.421 1.00 0.00 C ATOM 506 C TYR A 37 8.618 -12.321 0.007 1.00 0.00 C ATOM 507 O TYR A 37 7.645 -12.424 0.754 1.00 0.00 O ATOM 508 CB TYR A 37 10.293 -11.927 1.822 1.00 0.00 C ATOM 509 CG TYR A 37 11.667 -11.415 2.193 1.00 0.00 C ATOM 510 CD1 TYR A 37 12.283 -10.419 1.446 1.00 0.00 C ATOM 511 CD2 TYR A 37 12.348 -11.928 3.290 1.00 0.00 C ATOM 512 CE1 TYR A 37 13.538 -9.949 1.781 1.00 0.00 C ATOM 513 CE2 TYR A 37 13.603 -11.463 3.633 1.00 0.00 C ATOM 514 CZ TYR A 37 14.194 -10.473 2.875 1.00 0.00 C ATOM 515 OH TYR A 37 15.444 -10.008 3.212 1.00 0.00 O ATOM 0 H TYR A 37 9.260 -9.687 1.278 1.00 0.00 H new ATOM 0 HA TYR A 37 10.645 -11.714 -0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.569 -11.562 2.551 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.290 -13.015 1.887 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.772 -10.005 0.589 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.888 -12.704 3.885 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.003 -9.175 1.189 1.00 0.00 H new ATOM 0 HE2 TYR A 37 14.118 -11.872 4.489 1.00 0.00 H new ATOM 0 HH TYR A 37 15.765 -10.481 4.008 1.00 0.00 H new ATOM 525 N VAL A 38 8.674 -12.897 -1.190 1.00 0.00 N ATOM 526 CA VAL A 38 7.572 -13.700 -1.704 1.00 0.00 C ATOM 527 C VAL A 38 7.935 -14.342 -3.039 1.00 0.00 C ATOM 528 O VAL A 38 8.685 -13.771 -3.831 1.00 0.00 O ATOM 529 CB VAL A 38 6.297 -12.855 -1.884 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.512 -11.782 -2.941 1.00 0.00 C ATOM 531 CG2 VAL A 38 5.116 -13.742 -2.246 1.00 0.00 C ATOM 0 H VAL A 38 9.471 -12.822 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 38 7.381 -14.481 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 38 6.074 -12.361 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.601 -11.195 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.329 -11.128 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.761 -12.253 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.224 -13.128 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.327 -14.266 -3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.949 -14.468 -1.451 1.00 0.00 H new ATOM 541 N LYS A 39 7.398 -15.533 -3.282 1.00 0.00 N ATOM 542 CA LYS A 39 7.663 -16.253 -4.522 1.00 0.00 C ATOM 543 C LYS A 39 6.368 -16.776 -5.135 1.00 0.00 C ATOM 544 O LYS A 39 5.287 -16.588 -4.577 1.00 0.00 O ATOM 545 CB LYS A 39 8.624 -17.416 -4.264 1.00 0.00 C ATOM 546 CG LYS A 39 9.880 -17.012 -3.512 1.00 0.00 C ATOM 547 CD LYS A 39 10.835 -18.183 -3.353 1.00 0.00 C ATOM 548 CE LYS A 39 11.289 -18.720 -4.702 1.00 0.00 C ATOM 549 NZ LYS A 39 12.537 -19.524 -4.587 1.00 0.00 N ATOM 0 H LYS A 39 6.776 -16.020 -2.636 1.00 0.00 H new ATOM 0 HA LYS A 39 8.122 -15.559 -5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.103 -18.187 -3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.909 -17.859 -5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.380 -16.203 -4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.609 -16.626 -2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.704 -17.869 -2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.347 -18.978 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.499 -19.335 -5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.454 -17.888 -5.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.814 -19.872 -5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.298 -18.930 -4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.372 -20.332 -3.953 1.00 0.00 H new ATOM 563 N GLU A 40 6.486 -17.433 -6.285 1.00 0.00 N ATOM 564 CA GLU A 40 5.323 -17.983 -6.972 1.00 0.00 C ATOM 565 C GLU A 40 4.241 -16.921 -7.146 1.00 0.00 C ATOM 566 O GLU A 40 3.063 -17.172 -6.891 1.00 0.00 O ATOM 567 CB GLU A 40 4.762 -19.176 -6.197 1.00 0.00 C ATOM 568 CG GLU A 40 5.833 -20.050 -5.565 1.00 0.00 C ATOM 569 CD GLU A 40 6.364 -21.103 -6.519 1.00 0.00 C ATOM 570 OE1 GLU A 40 5.597 -21.550 -7.397 1.00 0.00 O ATOM 571 OE2 GLU A 40 7.547 -21.479 -6.386 1.00 0.00 O ATOM 0 H GLU A 40 7.374 -17.597 -6.760 1.00 0.00 H new ATOM 0 HA GLU A 40 5.641 -18.318 -7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.096 -18.810 -5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.159 -19.785 -6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.657 -19.422 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.423 -20.539 -4.681 1.00 0.00 H new ATOM 578 N ILE A 41 4.650 -15.734 -7.582 1.00 0.00 N ATOM 579 CA ILE A 41 3.717 -14.634 -7.791 1.00 0.00 C ATOM 580 C ILE A 41 3.261 -14.568 -9.245 1.00 0.00 C ATOM 581 O ILE A 41 4.029 -14.864 -10.161 1.00 0.00 O ATOM 582 CB ILE A 41 4.343 -13.282 -7.399 1.00 0.00 C ATOM 583 CG1 ILE A 41 4.229 -13.062 -5.890 1.00 0.00 C ATOM 584 CG2 ILE A 41 3.671 -12.148 -8.158 1.00 0.00 C ATOM 585 CD1 ILE A 41 4.292 -11.605 -5.486 1.00 0.00 C ATOM 0 H ILE A 41 5.621 -15.510 -7.797 1.00 0.00 H new ATOM 0 HA ILE A 41 2.856 -14.825 -7.151 1.00 0.00 H new ATOM 0 HB ILE A 41 5.400 -13.296 -7.666 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.289 -13.488 -5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.031 -13.605 -5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.124 -11.199 -7.871 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.799 -12.301 -9.230 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.608 -12.130 -7.919 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.205 -11.524 -4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.243 -11.179 -5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.474 -11.061 -5.957 1.00 0.00 H new ATOM 597 N CYS A 42 2.008 -14.177 -9.449 1.00 0.00 N ATOM 598 CA CYS A 42 1.449 -14.071 -10.792 1.00 0.00 C ATOM 599 C CYS A 42 1.550 -12.641 -11.311 1.00 0.00 C ATOM 600 O CYS A 42 0.778 -11.769 -10.911 1.00 0.00 O ATOM 601 CB CYS A 42 -0.010 -14.527 -10.797 1.00 0.00 C ATOM 602 SG CYS A 42 -0.547 -15.267 -12.358 1.00 0.00 S ATOM 0 H CYS A 42 1.360 -13.928 -8.702 1.00 0.00 H new ATOM 0 HA CYS A 42 2.026 -14.719 -11.452 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.156 -15.251 -9.995 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.648 -13.671 -10.574 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.794 -15.623 -12.263 1.00 0.00 H new ATOM 608 N ARG A 43 2.507 -12.406 -12.203 1.00 0.00 N ATOM 609 CA ARG A 43 2.710 -11.080 -12.775 1.00 0.00 C ATOM 610 C ARG A 43 1.530 -10.681 -13.656 1.00 0.00 C ATOM 611 O ARG A 43 1.355 -9.507 -13.982 1.00 0.00 O ATOM 612 CB ARG A 43 4.003 -11.046 -13.590 1.00 0.00 C ATOM 613 CG ARG A 43 5.209 -11.594 -12.844 1.00 0.00 C ATOM 614 CD ARG A 43 6.503 -11.302 -13.586 1.00 0.00 C ATOM 615 NE ARG A 43 6.484 -11.826 -14.949 1.00 0.00 N ATOM 616 CZ ARG A 43 7.574 -11.987 -15.690 1.00 0.00 C ATOM 617 NH1 ARG A 43 8.765 -11.666 -15.203 1.00 0.00 N ATOM 618 NH2 ARG A 43 7.475 -12.469 -16.923 1.00 0.00 N ATOM 0 H ARG A 43 3.154 -13.116 -12.545 1.00 0.00 H new ATOM 0 HA ARG A 43 2.786 -10.366 -11.955 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.861 -11.621 -14.505 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.207 -10.018 -13.888 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.252 -11.154 -11.848 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.099 -12.670 -12.713 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.669 -10.225 -13.614 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.340 -11.740 -13.041 1.00 0.00 H new ATOM 0 HE ARG A 43 5.584 -12.082 -15.354 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.846 -11.294 -14.257 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.600 -11.791 -15.775 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.561 -12.716 -17.302 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.313 -12.592 -17.491 1.00 0.00 H new ATOM 632 N ASP A 44 0.724 -11.666 -14.037 1.00 0.00 N ATOM 633 CA ASP A 44 -0.440 -11.418 -14.880 1.00 0.00 C ATOM 634 C ASP A 44 -1.588 -10.831 -14.063 1.00 0.00 C ATOM 635 O ASP A 44 -2.449 -10.130 -14.596 1.00 0.00 O ATOM 636 CB ASP A 44 -0.891 -12.713 -15.558 1.00 0.00 C ATOM 637 CG ASP A 44 -1.427 -12.478 -16.957 1.00 0.00 C ATOM 638 OD1 ASP A 44 -0.909 -11.575 -17.646 1.00 0.00 O ATOM 639 OD2 ASP A 44 -2.365 -13.197 -17.361 1.00 0.00 O ATOM 0 H ASP A 44 0.855 -12.643 -13.776 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.156 -10.696 -15.645 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.051 -13.406 -15.606 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.662 -13.188 -14.952 1.00 0.00 H new ATOM 644 N THR A 45 -1.594 -11.123 -12.766 1.00 0.00 N ATOM 645 CA THR A 45 -2.635 -10.626 -11.876 1.00 0.00 C ATOM 646 C THR A 45 -2.035 -9.897 -10.680 1.00 0.00 C ATOM 647 O THR A 45 -2.655 -9.808 -9.620 1.00 0.00 O ATOM 648 CB THR A 45 -3.533 -11.771 -11.369 1.00 0.00 C ATOM 649 OG1 THR A 45 -2.922 -12.409 -10.242 1.00 0.00 O ATOM 650 CG2 THR A 45 -3.777 -12.794 -12.467 1.00 0.00 C ATOM 0 H THR A 45 -0.889 -11.701 -12.309 1.00 0.00 H new ATOM 0 HA THR A 45 -3.240 -9.929 -12.455 1.00 0.00 H new ATOM 0 HB THR A 45 -4.492 -11.347 -11.071 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.564 -13.021 -9.825 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.413 -13.593 -12.085 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.268 -12.311 -13.312 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.825 -13.213 -12.792 1.00 0.00 H new ATOM 658 N SER A 46 -0.825 -9.377 -10.856 1.00 0.00 N ATOM 659 CA SER A 46 -0.139 -8.658 -9.788 1.00 0.00 C ATOM 660 C SER A 46 0.333 -7.290 -10.271 1.00 0.00 C ATOM 661 O SER A 46 1.169 -7.191 -11.170 1.00 0.00 O ATOM 662 CB SER A 46 1.053 -9.472 -9.280 1.00 0.00 C ATOM 663 OG SER A 46 0.628 -10.696 -8.706 1.00 0.00 O ATOM 0 H SER A 46 -0.299 -9.440 -11.728 1.00 0.00 H new ATOM 0 HA SER A 46 -0.844 -8.512 -8.970 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.738 -9.672 -10.104 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.604 -8.892 -8.540 1.00 0.00 H new ATOM 0 HG SER A 46 0.507 -11.364 -9.413 1.00 0.00 H new ATOM 669 N ARG A 47 -0.208 -6.237 -9.667 1.00 0.00 N ATOM 670 CA ARG A 47 0.156 -4.875 -10.035 1.00 0.00 C ATOM 671 C ARG A 47 0.546 -4.064 -8.802 1.00 0.00 C ATOM 672 O ARG A 47 0.530 -4.573 -7.681 1.00 0.00 O ATOM 673 CB ARG A 47 -1.005 -4.192 -10.761 1.00 0.00 C ATOM 674 CG ARG A 47 -2.370 -4.545 -10.192 1.00 0.00 C ATOM 675 CD ARG A 47 -3.394 -3.460 -10.488 1.00 0.00 C ATOM 676 NE ARG A 47 -4.758 -3.981 -10.491 1.00 0.00 N ATOM 677 CZ ARG A 47 -5.219 -4.829 -11.404 1.00 0.00 C ATOM 678 NH1 ARG A 47 -4.429 -5.249 -12.382 1.00 0.00 N ATOM 679 NH2 ARG A 47 -6.473 -5.258 -11.339 1.00 0.00 N ATOM 0 H ARG A 47 -0.900 -6.302 -8.921 1.00 0.00 H new ATOM 0 HA ARG A 47 1.015 -4.924 -10.704 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.868 -3.112 -10.712 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.977 -4.469 -11.815 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.708 -5.491 -10.615 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.290 -4.688 -9.114 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.310 -2.669 -9.743 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.176 -3.010 -11.456 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.392 -3.677 -9.752 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.465 -4.921 -12.435 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.786 -5.900 -13.082 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.084 -4.937 -10.588 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.826 -5.909 -12.040 1.00 0.00 H new ATOM 693 N VAL A 48 0.896 -2.800 -9.018 1.00 0.00 N ATOM 694 CA VAL A 48 1.289 -1.919 -7.925 1.00 0.00 C ATOM 695 C VAL A 48 0.777 -0.501 -8.150 1.00 0.00 C ATOM 696 O VAL A 48 1.130 0.150 -9.135 1.00 0.00 O ATOM 697 CB VAL A 48 2.820 -1.879 -7.760 1.00 0.00 C ATOM 698 CG1 VAL A 48 3.206 -1.024 -6.562 1.00 0.00 C ATOM 699 CG2 VAL A 48 3.377 -3.288 -7.620 1.00 0.00 C ATOM 0 H VAL A 48 0.915 -2.363 -9.940 1.00 0.00 H new ATOM 0 HA VAL A 48 0.843 -2.324 -7.017 1.00 0.00 H new ATOM 0 HB VAL A 48 3.253 -1.428 -8.653 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.291 -1.008 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.840 -0.008 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.764 -1.443 -5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.460 -3.241 -7.504 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.939 -3.767 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.132 -3.866 -8.511 1.00 0.00 H new ATOM 709 N LEU A 49 -0.058 -0.027 -7.232 1.00 0.00 N ATOM 710 CA LEU A 49 -0.620 1.316 -7.329 1.00 0.00 C ATOM 711 C LEU A 49 0.236 2.321 -6.566 1.00 0.00 C ATOM 712 O LEU A 49 0.410 2.209 -5.352 1.00 0.00 O ATOM 713 CB LEU A 49 -2.051 1.331 -6.788 1.00 0.00 C ATOM 714 CG LEU A 49 -3.095 0.595 -7.628 1.00 0.00 C ATOM 715 CD1 LEU A 49 -3.302 1.300 -8.960 1.00 0.00 C ATOM 716 CD2 LEU A 49 -2.678 -0.852 -7.848 1.00 0.00 C ATOM 0 H LEU A 49 -0.361 -0.553 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.633 1.603 -8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.045 0.895 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.366 2.369 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.041 0.602 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.048 0.762 -9.544 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.646 2.319 -8.783 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.361 1.325 -9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.433 -1.361 -8.448 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.721 -0.880 -8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.581 -1.353 -6.885 1.00 0.00 H new ATOM 728 N PHE A 50 0.766 3.305 -7.284 1.00 0.00 N ATOM 729 CA PHE A 50 1.603 4.332 -6.674 1.00 0.00 C ATOM 730 C PHE A 50 0.811 5.617 -6.450 1.00 0.00 C ATOM 731 O PHE A 50 0.496 6.338 -7.396 1.00 0.00 O ATOM 732 CB PHE A 50 2.820 4.618 -7.556 1.00 0.00 C ATOM 733 CG PHE A 50 3.780 3.466 -7.645 1.00 0.00 C ATOM 734 CD1 PHE A 50 4.369 2.948 -6.503 1.00 0.00 C ATOM 735 CD2 PHE A 50 4.092 2.900 -8.871 1.00 0.00 C ATOM 736 CE1 PHE A 50 5.252 1.888 -6.583 1.00 0.00 C ATOM 737 CE2 PHE A 50 4.974 1.840 -8.957 1.00 0.00 C ATOM 738 CZ PHE A 50 5.555 1.332 -7.811 1.00 0.00 C ATOM 0 H PHE A 50 0.631 3.413 -8.289 1.00 0.00 H new ATOM 0 HA PHE A 50 1.942 3.961 -5.707 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.479 4.875 -8.559 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.346 5.489 -7.165 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.136 3.377 -5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.640 3.292 -9.770 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.705 1.494 -5.685 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.209 1.409 -9.919 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.244 0.503 -7.875 1.00 0.00 H new ATOM 748 N ARG A 51 0.492 5.895 -5.190 1.00 0.00 N ATOM 749 CA ARG A 51 -0.265 7.091 -4.840 1.00 0.00 C ATOM 750 C ARG A 51 0.670 8.262 -4.554 1.00 0.00 C ATOM 751 O ARG A 51 1.888 8.143 -4.689 1.00 0.00 O ATOM 752 CB ARG A 51 -1.150 6.822 -3.621 1.00 0.00 C ATOM 753 CG ARG A 51 -2.494 6.203 -3.969 1.00 0.00 C ATOM 754 CD ARG A 51 -3.525 7.266 -4.314 1.00 0.00 C ATOM 755 NE ARG A 51 -3.497 7.615 -5.732 1.00 0.00 N ATOM 756 CZ ARG A 51 -4.480 8.261 -6.349 1.00 0.00 C ATOM 757 NH1 ARG A 51 -5.562 8.627 -5.677 1.00 0.00 N ATOM 758 NH2 ARG A 51 -4.381 8.542 -7.642 1.00 0.00 N ATOM 0 H ARG A 51 0.746 5.309 -4.395 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.897 7.352 -5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.620 6.159 -2.937 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.318 7.759 -3.090 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.375 5.523 -4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.851 5.608 -3.128 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.519 6.907 -4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.339 8.159 -3.717 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.678 7.348 -6.278 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.642 8.413 -4.683 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.315 9.123 -6.154 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.550 8.262 -8.163 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.136 9.038 -8.115 1.00 0.00 H new ATOM 772 N GLU A 52 0.092 9.393 -4.161 1.00 0.00 N ATOM 773 CA GLU A 52 0.875 10.585 -3.858 1.00 0.00 C ATOM 774 C GLU A 52 1.428 10.526 -2.437 1.00 0.00 C ATOM 775 O GLU A 52 2.571 10.911 -2.189 1.00 0.00 O ATOM 776 CB GLU A 52 0.019 11.842 -4.032 1.00 0.00 C ATOM 777 CG GLU A 52 -1.167 11.907 -3.084 1.00 0.00 C ATOM 778 CD GLU A 52 -2.307 12.742 -3.632 1.00 0.00 C ATOM 779 OE1 GLU A 52 -2.097 13.951 -3.866 1.00 0.00 O ATOM 780 OE2 GLU A 52 -3.409 12.189 -3.827 1.00 0.00 O ATOM 0 H GLU A 52 -0.915 9.509 -4.045 1.00 0.00 H new ATOM 0 HA GLU A 52 1.713 10.625 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.645 12.721 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.345 11.885 -5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.524 10.897 -2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.843 12.323 -2.130 1.00 0.00 H new ATOM 787 N GLN A 53 0.609 10.043 -1.509 1.00 0.00 N ATOM 788 CA GLN A 53 1.016 9.935 -0.113 1.00 0.00 C ATOM 789 C GLN A 53 0.967 8.486 0.358 1.00 0.00 C ATOM 790 O GLN A 53 0.884 8.214 1.556 1.00 0.00 O ATOM 791 CB GLN A 53 0.117 10.802 0.771 1.00 0.00 C ATOM 792 CG GLN A 53 0.690 11.058 2.156 1.00 0.00 C ATOM 793 CD GLN A 53 -0.385 11.293 3.198 1.00 0.00 C ATOM 794 OE1 GLN A 53 -0.938 12.388 3.300 1.00 0.00 O ATOM 795 NE2 GLN A 53 -0.688 10.263 3.979 1.00 0.00 N ATOM 0 H GLN A 53 -0.340 9.720 -1.698 1.00 0.00 H new ATOM 0 HA GLN A 53 2.044 10.289 -0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.053 11.758 0.275 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.854 10.318 0.873 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.301 10.206 2.455 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.349 11.925 2.118 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.204 9.373 3.860 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.404 10.362 4.698 1.00 0.00 H new ATOM 804 N ASP A 54 1.018 7.558 -0.591 1.00 0.00 N ATOM 805 CA ASP A 54 0.979 6.135 -0.274 1.00 0.00 C ATOM 806 C ASP A 54 1.268 5.294 -1.513 1.00 0.00 C ATOM 807 O ASP A 54 1.520 5.828 -2.594 1.00 0.00 O ATOM 808 CB ASP A 54 -0.384 5.757 0.308 1.00 0.00 C ATOM 809 CG ASP A 54 -1.527 6.471 -0.386 1.00 0.00 C ATOM 810 OD1 ASP A 54 -1.514 7.719 -0.420 1.00 0.00 O ATOM 811 OD2 ASP A 54 -2.437 5.782 -0.893 1.00 0.00 O ATOM 0 H ASP A 54 1.087 7.766 -1.587 1.00 0.00 H new ATOM 0 HA ASP A 54 1.751 5.932 0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.527 4.680 0.222 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.401 5.997 1.371 1.00 0.00 H new ATOM 816 N PHE A 55 1.231 3.976 -1.349 1.00 0.00 N ATOM 817 CA PHE A 55 1.491 3.060 -2.454 1.00 0.00 C ATOM 818 C PHE A 55 0.977 1.660 -2.132 1.00 0.00 C ATOM 819 O PHE A 55 1.474 0.997 -1.221 1.00 0.00 O ATOM 820 CB PHE A 55 2.989 3.008 -2.759 1.00 0.00 C ATOM 821 CG PHE A 55 3.746 2.049 -1.884 1.00 0.00 C ATOM 822 CD1 PHE A 55 3.847 0.710 -2.226 1.00 0.00 C ATOM 823 CD2 PHE A 55 4.356 2.487 -0.719 1.00 0.00 C ATOM 824 CE1 PHE A 55 4.543 -0.174 -1.424 1.00 0.00 C ATOM 825 CE2 PHE A 55 5.053 1.608 0.087 1.00 0.00 C ATOM 826 CZ PHE A 55 5.146 0.275 -0.265 1.00 0.00 C ATOM 0 H PHE A 55 1.023 3.518 -0.462 1.00 0.00 H new ATOM 0 HA PHE A 55 0.961 3.429 -3.332 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.130 2.724 -3.802 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.411 4.006 -2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.376 0.353 -3.130 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.286 3.527 -0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.616 -1.215 -1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.525 1.962 0.992 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.689 -0.414 0.365 1.00 0.00 H new ATOM 836 N THR A 56 -0.024 1.216 -2.886 1.00 0.00 N ATOM 837 CA THR A 56 -0.608 -0.104 -2.681 1.00 0.00 C ATOM 838 C THR A 56 0.004 -1.129 -3.629 1.00 0.00 C ATOM 839 O THR A 56 0.310 -0.819 -4.782 1.00 0.00 O ATOM 840 CB THR A 56 -2.135 -0.080 -2.885 1.00 0.00 C ATOM 841 OG1 THR A 56 -2.678 1.142 -2.375 1.00 0.00 O ATOM 842 CG2 THR A 56 -2.792 -1.263 -2.189 1.00 0.00 C ATOM 0 H THR A 56 -0.447 1.751 -3.644 1.00 0.00 H new ATOM 0 HA THR A 56 -0.391 -0.390 -1.652 1.00 0.00 H new ATOM 0 HB THR A 56 -2.338 -0.149 -3.954 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.649 1.150 -2.510 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.870 -1.225 -2.347 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.397 -2.192 -2.600 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.580 -1.220 -1.121 1.00 0.00 H new ATOM 850 N LEU A 57 0.179 -2.351 -3.139 1.00 0.00 N ATOM 851 CA LEU A 57 0.755 -3.423 -3.943 1.00 0.00 C ATOM 852 C LEU A 57 -0.174 -4.633 -3.983 1.00 0.00 C ATOM 853 O LEU A 57 -0.391 -5.294 -2.967 1.00 0.00 O ATOM 854 CB LEU A 57 2.119 -3.831 -3.384 1.00 0.00 C ATOM 855 CG LEU A 57 2.604 -5.233 -3.755 1.00 0.00 C ATOM 856 CD1 LEU A 57 2.835 -5.339 -5.254 1.00 0.00 C ATOM 857 CD2 LEU A 57 3.875 -5.576 -2.992 1.00 0.00 C ATOM 0 H LEU A 57 -0.070 -2.624 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 57 0.883 -3.052 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.860 -3.109 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.081 -3.757 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 57 1.832 -5.950 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.180 -6.344 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.903 -5.137 -5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.589 -4.613 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.206 -6.577 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.654 -4.855 -3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.677 -5.542 -1.921 1.00 0.00 H new ATOM 869 N ILE A 58 -0.718 -4.916 -5.161 1.00 0.00 N ATOM 870 CA ILE A 58 -1.620 -6.048 -5.333 1.00 0.00 C ATOM 871 C ILE A 58 -0.952 -7.169 -6.122 1.00 0.00 C ATOM 872 O ILE A 58 -0.623 -7.005 -7.297 1.00 0.00 O ATOM 873 CB ILE A 58 -2.916 -5.630 -6.053 1.00 0.00 C ATOM 874 CG1 ILE A 58 -3.663 -4.576 -5.235 1.00 0.00 C ATOM 875 CG2 ILE A 58 -3.801 -6.844 -6.298 1.00 0.00 C ATOM 876 CD1 ILE A 58 -2.994 -3.219 -5.243 1.00 0.00 C ATOM 0 H ILE A 58 -0.550 -4.377 -6.011 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.868 -6.408 -4.335 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.654 -5.195 -7.017 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.676 -4.475 -5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.752 -4.922 -4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.713 -6.533 -6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.267 -7.564 -6.918 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.058 -7.306 -5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.579 -2.522 -4.643 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.991 -3.305 -4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.930 -2.851 -6.267 1.00 0.00 H new ATOM 888 N PHE A 59 -0.755 -8.309 -5.469 1.00 0.00 N ATOM 889 CA PHE A 59 -0.127 -9.459 -6.109 1.00 0.00 C ATOM 890 C PHE A 59 -0.624 -10.763 -5.493 1.00 0.00 C ATOM 891 O PHE A 59 -0.796 -10.862 -4.279 1.00 0.00 O ATOM 892 CB PHE A 59 1.395 -9.370 -5.983 1.00 0.00 C ATOM 893 CG PHE A 59 1.903 -9.694 -4.607 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.827 -10.986 -4.112 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.457 -8.706 -3.808 1.00 0.00 C ATOM 896 CE1 PHE A 59 2.293 -11.286 -2.846 1.00 0.00 C ATOM 897 CE2 PHE A 59 2.925 -9.001 -2.542 1.00 0.00 C ATOM 898 CZ PHE A 59 2.843 -10.293 -2.060 1.00 0.00 C ATOM 0 H PHE A 59 -1.021 -8.461 -4.496 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.399 -9.450 -7.164 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.851 -10.052 -6.700 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.716 -8.364 -6.252 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.399 -11.767 -4.722 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.524 -7.694 -4.179 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.227 -12.297 -2.472 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.355 -8.222 -1.930 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.208 -10.526 -1.071 1.00 0.00 H new ATOM 908 N GLN A 60 -0.854 -11.761 -6.341 1.00 0.00 N ATOM 909 CA GLN A 60 -1.333 -13.059 -5.881 1.00 0.00 C ATOM 910 C GLN A 60 -0.195 -14.073 -5.832 1.00 0.00 C ATOM 911 O GLN A 60 0.286 -14.534 -6.869 1.00 0.00 O ATOM 912 CB GLN A 60 -2.448 -13.568 -6.796 1.00 0.00 C ATOM 913 CG GLN A 60 -3.818 -13.005 -6.457 1.00 0.00 C ATOM 914 CD GLN A 60 -4.820 -13.192 -7.580 1.00 0.00 C ATOM 915 OE1 GLN A 60 -4.633 -14.032 -8.461 1.00 0.00 O ATOM 916 NE2 GLN A 60 -5.891 -12.408 -7.554 1.00 0.00 N ATOM 0 H GLN A 60 -0.716 -11.695 -7.350 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.728 -12.936 -4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.205 -13.313 -7.827 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.487 -14.656 -6.737 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.193 -13.490 -5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.724 -11.943 -6.232 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.005 -11.725 -6.805 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.600 -12.488 -8.283 1.00 0.00 H new ATOM 925 N THR A 61 0.233 -14.418 -4.622 1.00 0.00 N ATOM 926 CA THR A 61 1.315 -15.377 -4.438 1.00 0.00 C ATOM 927 C THR A 61 0.772 -16.787 -4.235 1.00 0.00 C ATOM 928 O THR A 61 -0.347 -16.968 -3.756 1.00 0.00 O ATOM 929 CB THR A 61 2.200 -15.001 -3.234 1.00 0.00 C ATOM 930 OG1 THR A 61 3.266 -15.947 -3.096 1.00 0.00 O ATOM 931 CG2 THR A 61 1.381 -14.961 -1.953 1.00 0.00 C ATOM 0 H THR A 61 -0.154 -14.047 -3.754 1.00 0.00 H new ATOM 0 HA THR A 61 1.918 -15.351 -5.345 1.00 0.00 H new ATOM 0 HB THR A 61 2.616 -14.009 -3.412 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.726 -16.050 -3.955 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.027 -14.694 -1.117 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.588 -14.219 -2.051 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.940 -15.941 -1.772 1.00 0.00 H new ATOM 939 N ARG A 62 1.572 -17.782 -4.603 1.00 0.00 N ATOM 940 CA ARG A 62 1.171 -19.177 -4.461 1.00 0.00 C ATOM 941 C ARG A 62 2.259 -19.987 -3.761 1.00 0.00 C ATOM 942 O ARG A 62 2.388 -21.191 -3.981 1.00 0.00 O ATOM 943 CB ARG A 62 0.870 -19.785 -5.832 1.00 0.00 C ATOM 944 CG ARG A 62 -0.136 -18.987 -6.645 1.00 0.00 C ATOM 945 CD ARG A 62 -0.524 -19.715 -7.922 1.00 0.00 C ATOM 946 NE ARG A 62 -1.161 -21.001 -7.647 1.00 0.00 N ATOM 947 CZ ARG A 62 -1.925 -21.645 -8.522 1.00 0.00 C ATOM 948 NH1 ARG A 62 -2.145 -21.126 -9.722 1.00 0.00 N ATOM 949 NH2 ARG A 62 -2.469 -22.811 -8.198 1.00 0.00 N ATOM 0 H ARG A 62 2.501 -17.649 -5.002 1.00 0.00 H new ATOM 0 HA ARG A 62 0.269 -19.209 -3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.799 -19.865 -6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.492 -20.798 -5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.027 -18.804 -6.044 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.286 -18.013 -6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.203 -19.091 -8.503 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.365 -19.874 -8.533 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.011 -21.428 -6.733 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.727 -20.230 -9.975 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.732 -21.622 -10.392 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.301 -23.214 -7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.056 -23.305 -8.871 1.00 0.00 H new ATOM 963 N ASP A 63 3.037 -19.318 -2.918 1.00 0.00 N ATOM 964 CA ASP A 63 4.113 -19.975 -2.185 1.00 0.00 C ATOM 965 C ASP A 63 3.672 -20.322 -0.767 1.00 0.00 C ATOM 966 O ASP A 63 3.426 -19.437 0.052 1.00 0.00 O ATOM 967 CB ASP A 63 5.352 -19.078 -2.142 1.00 0.00 C ATOM 968 CG ASP A 63 6.640 -19.874 -2.075 1.00 0.00 C ATOM 969 OD1 ASP A 63 7.052 -20.244 -0.955 1.00 0.00 O ATOM 970 OD2 ASP A 63 7.237 -20.127 -3.142 1.00 0.00 O ATOM 0 H ASP A 63 2.943 -18.321 -2.725 1.00 0.00 H new ATOM 0 HA ASP A 63 4.361 -20.900 -2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.367 -18.441 -3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.290 -18.419 -1.276 1.00 0.00 H new ATOM 975 N GLY A 64 3.571 -21.618 -0.484 1.00 0.00 N ATOM 976 CA GLY A 64 3.158 -22.059 0.835 1.00 0.00 C ATOM 977 C GLY A 64 3.883 -21.325 1.946 1.00 0.00 C ATOM 978 O GLY A 64 3.330 -21.116 3.025 1.00 0.00 O ATOM 0 H GLY A 64 3.768 -22.369 -1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.084 -21.909 0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.342 -23.129 0.931 1.00 0.00 H new ATOM 982 N ASN A 65 5.125 -20.932 1.681 1.00 0.00 N ATOM 983 CA ASN A 65 5.927 -20.219 2.668 1.00 0.00 C ATOM 984 C ASN A 65 5.340 -18.840 2.953 1.00 0.00 C ATOM 985 O ASN A 65 5.401 -18.348 4.080 1.00 0.00 O ATOM 986 CB ASN A 65 7.370 -20.080 2.178 1.00 0.00 C ATOM 987 CG ASN A 65 8.112 -21.402 2.182 1.00 0.00 C ATOM 988 OD1 ASN A 65 7.746 -22.330 2.904 1.00 0.00 O ATOM 989 ND2 ASN A 65 9.161 -21.494 1.373 1.00 0.00 N ATOM 0 H ASN A 65 5.597 -21.095 0.792 1.00 0.00 H new ATOM 0 HA ASN A 65 5.918 -20.796 3.593 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.370 -19.670 1.168 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.899 -19.368 2.811 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.699 -22.359 1.332 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.428 -20.699 0.792 1.00 0.00 H new ATOM 996 N PHE A 66 4.771 -18.221 1.924 1.00 0.00 N ATOM 997 CA PHE A 66 4.172 -16.899 2.063 1.00 0.00 C ATOM 998 C PHE A 66 2.706 -17.006 2.473 1.00 0.00 C ATOM 999 O PHE A 66 2.194 -16.165 3.213 1.00 0.00 O ATOM 1000 CB PHE A 66 4.291 -16.122 0.750 1.00 0.00 C ATOM 1001 CG PHE A 66 3.812 -14.702 0.849 1.00 0.00 C ATOM 1002 CD1 PHE A 66 2.459 -14.418 0.948 1.00 0.00 C ATOM 1003 CD2 PHE A 66 4.714 -13.650 0.843 1.00 0.00 C ATOM 1004 CE1 PHE A 66 2.016 -13.112 1.038 1.00 0.00 C ATOM 1005 CE2 PHE A 66 4.277 -12.342 0.934 1.00 0.00 C ATOM 1006 CZ PHE A 66 2.926 -12.073 1.032 1.00 0.00 C ATOM 0 H PHE A 66 4.712 -18.614 0.985 1.00 0.00 H new ATOM 0 HA PHE A 66 4.711 -16.363 2.845 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.333 -16.124 0.429 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.718 -16.637 -0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.743 -15.226 0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.772 -13.855 0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.959 -12.904 1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.991 -11.532 0.928 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.582 -11.052 1.104 1.00 0.00 H new ATOM 1016 N LEU A 67 2.036 -18.045 1.986 1.00 0.00 N ATOM 1017 CA LEU A 67 0.628 -18.263 2.300 1.00 0.00 C ATOM 1018 C LEU A 67 0.459 -18.733 3.741 1.00 0.00 C ATOM 1019 O LEU A 67 -0.362 -18.199 4.487 1.00 0.00 O ATOM 1020 CB LEU A 67 0.025 -19.290 1.342 1.00 0.00 C ATOM 1021 CG LEU A 67 -0.329 -18.778 -0.055 1.00 0.00 C ATOM 1022 CD1 LEU A 67 -1.038 -19.859 -0.856 1.00 0.00 C ATOM 1023 CD2 LEU A 67 -1.191 -17.528 0.037 1.00 0.00 C ATOM 0 H LEU A 67 2.445 -18.750 1.372 1.00 0.00 H new ATOM 0 HA LEU A 67 0.103 -17.315 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.728 -20.116 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.878 -19.696 1.798 1.00 0.00 H new ATOM 0 HG LEU A 67 0.596 -18.520 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.282 -19.476 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.386 -20.727 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.955 -20.149 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.433 -17.178 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.112 -17.760 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.647 -16.749 0.571 1.00 0.00 H new ATOM 1035 N ARG A 68 1.243 -19.735 4.127 1.00 0.00 N ATOM 1036 CA ARG A 68 1.180 -20.277 5.479 1.00 0.00 C ATOM 1037 C ARG A 68 1.084 -19.156 6.510 1.00 0.00 C ATOM 1038 O ARG A 68 0.348 -19.263 7.492 1.00 0.00 O ATOM 1039 CB ARG A 68 2.410 -21.141 5.763 1.00 0.00 C ATOM 1040 CG ARG A 68 2.226 -22.604 5.393 1.00 0.00 C ATOM 1041 CD ARG A 68 3.361 -23.462 5.930 1.00 0.00 C ATOM 1042 NE ARG A 68 3.069 -24.888 5.817 1.00 0.00 N ATOM 1043 CZ ARG A 68 3.763 -25.832 6.443 1.00 0.00 C ATOM 1044 NH1 ARG A 68 4.783 -25.502 7.224 1.00 0.00 N ATOM 1045 NH2 ARG A 68 3.437 -27.109 6.290 1.00 0.00 N ATOM 0 H ARG A 68 1.929 -20.187 3.523 1.00 0.00 H new ATOM 0 HA ARG A 68 0.285 -20.895 5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.260 -20.740 5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.656 -21.071 6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.277 -22.964 5.790 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.176 -22.703 4.309 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.277 -23.235 5.384 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.542 -23.211 6.975 1.00 0.00 H new ATOM 0 HE ARG A 68 2.290 -25.175 5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.036 -24.521 7.345 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.314 -26.229 7.704 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.653 -27.367 5.691 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.971 -27.833 6.771 1.00 0.00 H new ATOM 1059 N LEU A 69 1.831 -18.082 6.281 1.00 0.00 N ATOM 1060 CA LEU A 69 1.831 -16.942 7.190 1.00 0.00 C ATOM 1061 C LEU A 69 0.439 -16.327 7.292 1.00 0.00 C ATOM 1062 O LEU A 69 0.003 -15.926 8.372 1.00 0.00 O ATOM 1063 CB LEU A 69 2.832 -15.887 6.716 1.00 0.00 C ATOM 1064 CG LEU A 69 4.181 -16.414 6.225 1.00 0.00 C ATOM 1065 CD1 LEU A 69 5.066 -15.268 5.760 1.00 0.00 C ATOM 1066 CD2 LEU A 69 4.872 -17.214 7.320 1.00 0.00 C ATOM 0 H LEU A 69 2.445 -17.977 5.473 1.00 0.00 H new ATOM 0 HA LEU A 69 2.125 -17.297 8.178 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.372 -15.316 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.013 -15.192 7.536 1.00 0.00 H new ATOM 0 HG LEU A 69 4.003 -17.075 5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.021 -15.663 5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.576 -14.738 4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.236 -14.580 6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.830 -17.581 6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.036 -16.576 8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.245 -18.059 7.604 1.00 0.00 H new ATOM 1078 N HIS A 70 -0.257 -16.258 6.161 1.00 0.00 N ATOM 1079 CA HIS A 70 -1.602 -15.696 6.124 1.00 0.00 C ATOM 1080 C HIS A 70 -2.648 -16.797 5.984 1.00 0.00 C ATOM 1081 O HIS A 70 -3.017 -17.200 4.880 1.00 0.00 O ATOM 1082 CB HIS A 70 -1.731 -14.704 4.967 1.00 0.00 C ATOM 1083 CG HIS A 70 -0.894 -13.474 5.137 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -1.417 -12.252 5.505 1.00 0.00 N ATOM 1085 CD2 HIS A 70 0.438 -13.282 4.989 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -0.444 -11.362 5.574 1.00 0.00 C ATOM 1087 NE2 HIS A 70 0.692 -11.961 5.266 1.00 0.00 N ATOM 0 H HIS A 70 0.089 -16.584 5.259 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.776 -15.172 7.064 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.447 -15.201 4.039 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.776 -14.411 4.865 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.165 -14.029 4.706 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.558 -10.321 5.838 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.609 -11.515 5.238 1.00 0.00 H new ATOM 1096 N PRO A 71 -3.138 -17.298 7.127 1.00 0.00 N ATOM 1097 CA PRO A 71 -4.148 -18.360 7.158 1.00 0.00 C ATOM 1098 C PRO A 71 -5.510 -17.879 6.672 1.00 0.00 C ATOM 1099 O PRO A 71 -5.787 -16.680 6.656 1.00 0.00 O ATOM 1100 CB PRO A 71 -4.214 -18.744 8.638 1.00 0.00 C ATOM 1101 CG PRO A 71 -3.763 -17.526 9.367 1.00 0.00 C ATOM 1102 CD PRO A 71 -2.743 -16.866 8.479 1.00 0.00 C ATOM 0 HA PRO A 71 -3.888 -19.189 6.500 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.226 -19.027 8.929 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.570 -19.596 8.855 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.600 -16.857 9.564 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.329 -17.787 10.332 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.767 -15.781 8.577 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.730 -17.186 8.723 1.00 0.00 H new ATOM 1110 N GLY A 72 -6.360 -18.822 6.275 1.00 0.00 N ATOM 1111 CA GLY A 72 -7.683 -18.474 5.794 1.00 0.00 C ATOM 1112 C GLY A 72 -7.681 -18.066 4.334 1.00 0.00 C ATOM 1113 O GLY A 72 -8.734 -18.001 3.698 1.00 0.00 O ATOM 0 H GLY A 72 -6.155 -19.821 6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.351 -19.325 5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.082 -17.657 6.396 1.00 0.00 H new ATOM 1117 N CYS A 73 -6.496 -17.789 3.801 1.00 0.00 N ATOM 1118 CA CYS A 73 -6.361 -17.382 2.406 1.00 0.00 C ATOM 1119 C CYS A 73 -5.678 -18.471 1.586 1.00 0.00 C ATOM 1120 O CYS A 73 -5.297 -19.515 2.116 1.00 0.00 O ATOM 1121 CB CYS A 73 -5.567 -16.079 2.308 1.00 0.00 C ATOM 1122 SG CYS A 73 -6.390 -14.654 3.057 1.00 0.00 S ATOM 0 H CYS A 73 -5.615 -17.839 4.313 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.360 -17.221 2.002 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.599 -16.219 2.788 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.373 -15.862 1.257 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.512 -13.729 3.310 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.527 -18.222 0.289 1.00 0.00 N ATOM 1129 CA GLY A 74 -4.891 -19.191 -0.584 1.00 0.00 C ATOM 1130 C GLY A 74 -4.198 -18.541 -1.765 1.00 0.00 C ATOM 1131 O GLY A 74 -4.011 -17.325 -1.810 1.00 0.00 O ATOM 0 H GLY A 74 -5.834 -17.366 -0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.164 -19.768 -0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.640 -19.894 -0.948 1.00 0.00 H new ATOM 1135 N PRO A 75 -3.801 -19.362 -2.748 1.00 0.00 N ATOM 1136 CA PRO A 75 -3.117 -18.882 -3.953 1.00 0.00 C ATOM 1137 C PRO A 75 -4.040 -18.078 -4.862 1.00 0.00 C ATOM 1138 O PRO A 75 -3.583 -17.249 -5.650 1.00 0.00 O ATOM 1139 CB PRO A 75 -2.673 -20.172 -4.646 1.00 0.00 C ATOM 1140 CG PRO A 75 -3.631 -21.208 -4.169 1.00 0.00 C ATOM 1141 CD PRO A 75 -3.991 -20.822 -2.761 1.00 0.00 C ATOM 0 HA PRO A 75 -2.296 -18.206 -3.714 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.707 -20.071 -5.731 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.647 -20.430 -4.382 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.517 -21.242 -4.803 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.180 -22.200 -4.199 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.018 -21.096 -2.520 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.349 -21.317 -2.032 1.00 0.00 H new ATOM 1149 N HIS A 76 -5.340 -18.328 -4.748 1.00 0.00 N ATOM 1150 CA HIS A 76 -6.328 -17.626 -5.560 1.00 0.00 C ATOM 1151 C HIS A 76 -6.928 -16.453 -4.792 1.00 0.00 C ATOM 1152 O HIS A 76 -7.948 -15.891 -5.193 1.00 0.00 O ATOM 1153 CB HIS A 76 -7.436 -18.586 -5.996 1.00 0.00 C ATOM 1154 CG HIS A 76 -7.693 -19.689 -5.016 1.00 0.00 C ATOM 1155 ND1 HIS A 76 -7.817 -19.476 -3.659 1.00 0.00 N ATOM 1156 CD2 HIS A 76 -7.851 -21.020 -5.202 1.00 0.00 C ATOM 1157 CE1 HIS A 76 -8.039 -20.629 -3.053 1.00 0.00 C ATOM 1158 NE2 HIS A 76 -8.065 -21.582 -3.967 1.00 0.00 N ATOM 0 H HIS A 76 -5.734 -19.011 -4.101 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.825 -17.238 -6.446 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.357 -18.022 -6.145 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -7.170 -19.022 -6.959 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -7.815 -21.543 -6.146 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.176 -20.768 -1.991 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -8.219 -22.574 -3.785 1.00 0.00 H new ATOM 1167 N THR A 77 -6.289 -16.088 -3.685 1.00 0.00 N ATOM 1168 CA THR A 77 -6.761 -14.983 -2.859 1.00 0.00 C ATOM 1169 C THR A 77 -5.932 -13.726 -3.097 1.00 0.00 C ATOM 1170 O THR A 77 -4.736 -13.693 -2.806 1.00 0.00 O ATOM 1171 CB THR A 77 -6.712 -15.340 -1.362 1.00 0.00 C ATOM 1172 OG1 THR A 77 -7.671 -16.363 -1.070 1.00 0.00 O ATOM 1173 CG2 THR A 77 -6.993 -14.116 -0.504 1.00 0.00 C ATOM 0 H THR A 77 -5.443 -16.541 -3.340 1.00 0.00 H new ATOM 0 HA THR A 77 -7.795 -14.793 -3.146 1.00 0.00 H new ATOM 0 HB THR A 77 -5.711 -15.704 -1.131 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.746 -16.473 -0.099 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.953 -14.393 0.549 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.244 -13.350 -0.706 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.983 -13.726 -0.739 1.00 0.00 H new ATOM 1181 N THR A 78 -6.575 -12.691 -3.629 1.00 0.00 N ATOM 1182 CA THR A 78 -5.897 -11.431 -3.907 1.00 0.00 C ATOM 1183 C THR A 78 -5.437 -10.758 -2.619 1.00 0.00 C ATOM 1184 O THR A 78 -6.150 -10.763 -1.616 1.00 0.00 O ATOM 1185 CB THR A 78 -6.809 -10.461 -4.682 1.00 0.00 C ATOM 1186 OG1 THR A 78 -7.360 -11.118 -5.829 1.00 0.00 O ATOM 1187 CG2 THR A 78 -6.037 -9.226 -5.121 1.00 0.00 C ATOM 0 H THR A 78 -7.565 -12.701 -3.876 1.00 0.00 H new ATOM 0 HA THR A 78 -5.028 -11.669 -4.520 1.00 0.00 H new ATOM 0 HB THR A 78 -7.616 -10.149 -4.020 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.939 -10.495 -6.316 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.702 -8.556 -5.666 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.643 -8.712 -4.244 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.212 -9.524 -5.768 1.00 0.00 H new ATOM 1195 N PHE A 79 -4.241 -10.179 -2.653 1.00 0.00 N ATOM 1196 CA PHE A 79 -3.686 -9.502 -1.487 1.00 0.00 C ATOM 1197 C PHE A 79 -3.431 -8.027 -1.785 1.00 0.00 C ATOM 1198 O PHE A 79 -2.751 -7.687 -2.754 1.00 0.00 O ATOM 1199 CB PHE A 79 -2.385 -10.178 -1.050 1.00 0.00 C ATOM 1200 CG PHE A 79 -2.574 -11.589 -0.573 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -3.619 -11.913 0.277 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -1.707 -12.592 -0.974 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -3.795 -13.211 0.719 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -1.877 -13.892 -0.536 1.00 0.00 C ATOM 1205 CZ PHE A 79 -2.923 -14.202 0.310 1.00 0.00 C ATOM 0 H PHE A 79 -3.638 -10.165 -3.475 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.413 -9.571 -0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.685 -10.176 -1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.930 -9.591 -0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.304 -11.142 0.598 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.888 -12.355 -1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.613 -13.450 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.193 -14.664 -0.855 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.060 -15.217 0.652 1.00 0.00 H new ATOM 1215 N ARG A 80 -3.982 -7.156 -0.946 1.00 0.00 N ATOM 1216 CA ARG A 80 -3.816 -5.718 -1.120 1.00 0.00 C ATOM 1217 C ARG A 80 -2.982 -5.127 0.013 1.00 0.00 C ATOM 1218 O ARG A 80 -3.456 -4.992 1.141 1.00 0.00 O ATOM 1219 CB ARG A 80 -5.181 -5.029 -1.176 1.00 0.00 C ATOM 1220 CG ARG A 80 -5.165 -3.706 -1.924 1.00 0.00 C ATOM 1221 CD ARG A 80 -6.527 -3.031 -1.892 1.00 0.00 C ATOM 1222 NE ARG A 80 -6.487 -1.690 -2.468 1.00 0.00 N ATOM 1223 CZ ARG A 80 -6.177 -0.601 -1.774 1.00 0.00 C ATOM 1224 NH1 ARG A 80 -5.881 -0.694 -0.485 1.00 0.00 N ATOM 1225 NH2 ARG A 80 -6.163 0.585 -2.370 1.00 0.00 N ATOM 0 H ARG A 80 -4.547 -7.421 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.292 -5.548 -2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.897 -5.698 -1.653 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.534 -4.858 -0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.420 -3.045 -1.481 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.866 -3.875 -2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.246 -3.640 -2.440 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.879 -2.973 -0.862 1.00 0.00 H new ATOM 0 HE ARG A 80 -6.709 -1.584 -3.458 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.891 -1.604 -0.024 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.643 0.144 0.045 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.390 0.660 -3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -5.925 1.421 -1.836 1.00 0.00 H new ATOM 1239 N TRP A 81 -1.739 -4.776 -0.296 1.00 0.00 N ATOM 1240 CA TRP A 81 -0.839 -4.199 0.696 1.00 0.00 C ATOM 1241 C TRP A 81 -0.787 -2.681 0.566 1.00 0.00 C ATOM 1242 O TRP A 81 -0.153 -2.149 -0.344 1.00 0.00 O ATOM 1243 CB TRP A 81 0.566 -4.785 0.541 1.00 0.00 C ATOM 1244 CG TRP A 81 1.454 -4.515 1.718 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.084 -4.471 3.032 1.00 0.00 C ATOM 1246 CD2 TRP A 81 2.861 -4.251 1.687 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.175 -4.195 3.819 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.278 -4.057 3.018 1.00 0.00 C ATOM 1249 CE3 TRP A 81 3.809 -4.162 0.664 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 4.601 -3.778 3.351 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.122 -3.884 0.996 1.00 0.00 C ATOM 1252 CH2 TRP A 81 5.508 -3.696 2.329 1.00 0.00 C ATOM 0 H TRP A 81 -1.331 -4.881 -1.225 1.00 0.00 H new ATOM 0 HA TRP A 81 -1.222 -4.447 1.686 1.00 0.00 H new ATOM 0 HB2 TRP A 81 0.489 -5.862 0.393 1.00 0.00 H new ATOM 0 HB3 TRP A 81 1.028 -4.372 -0.356 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.081 -4.630 3.398 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.166 -4.107 4.835 1.00 0.00 H new ATOM 0 HE3 TRP A 81 3.521 -4.308 -0.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.901 -3.632 4.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 5.863 -3.811 0.214 1.00 0.00 H new ATOM 0 HH2 TRP A 81 6.542 -3.482 2.555 1.00 0.00 H new ATOM 1263 N GLN A 82 -1.458 -1.990 1.483 1.00 0.00 N ATOM 1264 CA GLN A 82 -1.488 -0.532 1.469 1.00 0.00 C ATOM 1265 C GLN A 82 -0.576 0.041 2.549 1.00 0.00 C ATOM 1266 O GLN A 82 -0.730 -0.264 3.732 1.00 0.00 O ATOM 1267 CB GLN A 82 -2.918 -0.029 1.672 1.00 0.00 C ATOM 1268 CG GLN A 82 -3.104 1.436 1.311 1.00 0.00 C ATOM 1269 CD GLN A 82 -4.531 1.909 1.507 1.00 0.00 C ATOM 1270 OE1 GLN A 82 -4.959 2.179 2.630 1.00 0.00 O ATOM 1271 NE2 GLN A 82 -5.276 2.012 0.413 1.00 0.00 N ATOM 0 H GLN A 82 -1.987 -2.416 2.244 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.126 -0.195 0.498 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.596 -0.632 1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.202 -0.177 2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.437 2.044 1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.814 1.590 0.272 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.880 1.778 -0.497 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.244 2.325 0.483 1.00 0.00 H new ATOM 1280 N VAL A 83 0.375 0.872 2.135 1.00 0.00 N ATOM 1281 CA VAL A 83 1.311 1.489 3.067 1.00 0.00 C ATOM 1282 C VAL A 83 1.088 2.994 3.155 1.00 0.00 C ATOM 1283 O VAL A 83 0.929 3.670 2.138 1.00 0.00 O ATOM 1284 CB VAL A 83 2.771 1.220 2.655 1.00 0.00 C ATOM 1285 CG1 VAL A 83 3.730 1.936 3.594 1.00 0.00 C ATOM 1286 CG2 VAL A 83 3.051 -0.275 2.631 1.00 0.00 C ATOM 0 H VAL A 83 0.518 1.134 1.159 1.00 0.00 H new ATOM 0 HA VAL A 83 1.128 1.041 4.044 1.00 0.00 H new ATOM 0 HB VAL A 83 2.925 1.611 1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.757 1.735 3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.543 3.009 3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.578 1.578 4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.087 -0.447 2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.881 -0.693 3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.387 -0.758 1.915 1.00 0.00 H new ATOM 1296 N LYS A 84 1.077 3.515 4.377 1.00 0.00 N ATOM 1297 CA LYS A 84 0.875 4.941 4.600 1.00 0.00 C ATOM 1298 C LYS A 84 2.211 5.664 4.744 1.00 0.00 C ATOM 1299 O LYS A 84 2.907 5.509 5.748 1.00 0.00 O ATOM 1300 CB LYS A 84 0.023 5.168 5.851 1.00 0.00 C ATOM 1301 CG LYS A 84 -0.628 6.539 5.904 1.00 0.00 C ATOM 1302 CD LYS A 84 -1.785 6.569 6.888 1.00 0.00 C ATOM 1303 CE LYS A 84 -2.222 7.994 7.192 1.00 0.00 C ATOM 1304 NZ LYS A 84 -1.230 8.708 8.042 1.00 0.00 N ATOM 0 H LYS A 84 1.206 2.970 5.229 1.00 0.00 H new ATOM 0 HA LYS A 84 0.353 5.348 3.734 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.754 4.405 5.895 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.648 5.038 6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.114 7.284 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.986 6.811 4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.626 6.009 6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.491 6.073 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.359 8.539 6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.188 7.978 7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.659 9.576 8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.939 8.092 8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.397 8.956 7.470 1.00 0.00 H new ATOM 1318 N LEU A 85 2.562 6.454 3.735 1.00 0.00 N ATOM 1319 CA LEU A 85 3.814 7.203 3.750 1.00 0.00 C ATOM 1320 C LEU A 85 3.638 8.545 4.453 1.00 0.00 C ATOM 1321 O LEU A 85 2.750 9.326 4.108 1.00 0.00 O ATOM 1322 CB LEU A 85 4.316 7.424 2.323 1.00 0.00 C ATOM 1323 CG LEU A 85 4.255 6.210 1.394 1.00 0.00 C ATOM 1324 CD1 LEU A 85 4.203 6.652 -0.060 1.00 0.00 C ATOM 1325 CD2 LEU A 85 5.448 5.295 1.633 1.00 0.00 C ATOM 0 H LEU A 85 1.998 6.592 2.897 1.00 0.00 H new ATOM 0 HA LEU A 85 4.551 6.619 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.733 8.229 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.349 7.767 2.372 1.00 0.00 H new ATOM 0 HG LEU A 85 3.345 5.653 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.160 5.775 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.317 7.266 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.095 7.233 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.388 4.437 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.371 5.842 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.440 4.950 2.667 1.00 0.00 H new ATOM 1337 N ARG A 86 4.490 8.808 5.439 1.00 0.00 N ATOM 1338 CA ARG A 86 4.429 10.057 6.189 1.00 0.00 C ATOM 1339 C ARG A 86 4.484 11.258 5.250 1.00 0.00 C ATOM 1340 O ARG A 86 3.562 12.072 5.212 1.00 0.00 O ATOM 1341 CB ARG A 86 5.578 10.128 7.195 1.00 0.00 C ATOM 1342 CG ARG A 86 5.387 9.227 8.404 1.00 0.00 C ATOM 1343 CD ARG A 86 4.482 9.871 9.442 1.00 0.00 C ATOM 1344 NE ARG A 86 5.120 11.013 10.091 1.00 0.00 N ATOM 1345 CZ ARG A 86 4.452 11.945 10.762 1.00 0.00 C ATOM 1346 NH1 ARG A 86 3.133 11.871 10.871 1.00 0.00 N ATOM 1347 NH2 ARG A 86 5.104 12.954 11.325 1.00 0.00 N ATOM 0 H ARG A 86 5.230 8.173 5.737 1.00 0.00 H new ATOM 0 HA ARG A 86 3.482 10.083 6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.506 9.856 6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.689 11.158 7.534 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.959 8.276 8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.356 9.007 8.851 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.557 10.195 8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.210 9.131 10.195 1.00 0.00 H new ATOM 0 HE ARG A 86 6.134 11.100 10.026 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.628 11.097 10.439 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.623 12.588 11.387 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.119 13.015 11.243 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.590 13.669 11.840 1.00 0.00 H new ATOM 1361 N ASN A 87 5.573 11.362 4.494 1.00 0.00 N ATOM 1362 CA ASN A 87 5.749 12.465 3.556 1.00 0.00 C ATOM 1363 C ASN A 87 5.161 12.118 2.192 1.00 0.00 C ATOM 1364 O ASN A 87 4.753 10.981 1.950 1.00 0.00 O ATOM 1365 CB ASN A 87 7.234 12.807 3.412 1.00 0.00 C ATOM 1366 CG ASN A 87 7.457 14.244 2.982 1.00 0.00 C ATOM 1367 OD1 ASN A 87 7.839 14.509 1.842 1.00 0.00 O ATOM 1368 ND2 ASN A 87 7.219 15.179 3.894 1.00 0.00 N ATOM 0 H ASN A 87 6.346 10.697 4.513 1.00 0.00 H new ATOM 0 HA ASN A 87 5.220 13.333 3.950 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.738 12.633 4.363 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.689 12.137 2.682 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.352 16.163 3.662 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.904 14.913 4.827 1.00 0.00 H new ATOM 1375 N LEU A 88 5.121 13.104 1.303 1.00 0.00 N ATOM 1376 CA LEU A 88 4.584 12.904 -0.038 1.00 0.00 C ATOM 1377 C LEU A 88 5.638 12.303 -0.963 1.00 0.00 C ATOM 1378 O LEU A 88 6.835 12.376 -0.686 1.00 0.00 O ATOM 1379 CB LEU A 88 4.083 14.231 -0.612 1.00 0.00 C ATOM 1380 CG LEU A 88 2.639 14.605 -0.275 1.00 0.00 C ATOM 1381 CD1 LEU A 88 2.243 15.892 -0.982 1.00 0.00 C ATOM 1382 CD2 LEU A 88 1.693 13.474 -0.651 1.00 0.00 C ATOM 0 H LEU A 88 5.454 14.050 1.487 1.00 0.00 H new ATOM 0 HA LEU A 88 3.749 12.207 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.736 15.028 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.185 14.196 -1.697 1.00 0.00 H new ATOM 0 HG LEU A 88 2.567 14.768 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.212 16.143 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.901 16.700 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.331 15.757 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.670 13.758 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.767 13.278 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.963 12.574 -0.098 1.00 0.00 H new ATOM 1394 N ILE A 89 5.184 11.711 -2.063 1.00 0.00 N ATOM 1395 CA ILE A 89 6.088 11.101 -3.030 1.00 0.00 C ATOM 1396 C ILE A 89 5.638 11.385 -4.459 1.00 0.00 C ATOM 1397 O ILE A 89 4.650 12.085 -4.681 1.00 0.00 O ATOM 1398 CB ILE A 89 6.184 9.577 -2.827 1.00 0.00 C ATOM 1399 CG1 ILE A 89 4.794 8.943 -2.898 1.00 0.00 C ATOM 1400 CG2 ILE A 89 6.849 9.261 -1.495 1.00 0.00 C ATOM 1401 CD1 ILE A 89 4.804 7.521 -3.415 1.00 0.00 C ATOM 0 H ILE A 89 4.196 11.641 -2.306 1.00 0.00 H new ATOM 0 HA ILE A 89 7.070 11.544 -2.867 1.00 0.00 H new ATOM 0 HB ILE A 89 6.796 9.157 -3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.346 8.957 -1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.159 9.551 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.910 8.180 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.853 9.685 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 89 6.261 9.691 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.785 7.135 -3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.222 7.503 -4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.412 6.899 -2.758 1.00 0.00 H new ATOM 1413 N GLU A 90 6.368 10.835 -5.424 1.00 0.00 N ATOM 1414 CA GLU A 90 6.042 11.029 -6.832 1.00 0.00 C ATOM 1415 C GLU A 90 5.777 9.692 -7.518 1.00 0.00 C ATOM 1416 O GLU A 90 6.689 9.022 -8.003 1.00 0.00 O ATOM 1417 CB GLU A 90 7.180 11.763 -7.545 1.00 0.00 C ATOM 1418 CG GLU A 90 7.022 13.274 -7.546 1.00 0.00 C ATOM 1419 CD GLU A 90 6.247 13.779 -8.748 1.00 0.00 C ATOM 1420 OE1 GLU A 90 6.480 13.264 -9.862 1.00 0.00 O ATOM 1421 OE2 GLU A 90 5.409 14.688 -8.575 1.00 0.00 O ATOM 0 H GLU A 90 7.188 10.252 -5.257 1.00 0.00 H new ATOM 0 HA GLU A 90 5.137 11.633 -6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.124 11.505 -7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.239 11.411 -8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.512 13.583 -6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.008 13.739 -7.533 1.00 0.00 H new ATOM 1428 N PRO A 91 4.497 9.293 -7.559 1.00 0.00 N ATOM 1429 CA PRO A 91 4.080 8.034 -8.183 1.00 0.00 C ATOM 1430 C PRO A 91 4.222 8.063 -9.701 1.00 0.00 C ATOM 1431 O PRO A 91 4.148 7.027 -10.360 1.00 0.00 O ATOM 1432 CB PRO A 91 2.607 7.912 -7.786 1.00 0.00 C ATOM 1433 CG PRO A 91 2.161 9.313 -7.549 1.00 0.00 C ATOM 1434 CD PRO A 91 3.358 10.041 -7.001 1.00 0.00 C ATOM 0 HA PRO A 91 4.695 7.195 -7.857 1.00 0.00 H new ATOM 0 HB2 PRO A 91 2.022 7.439 -8.575 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.488 7.302 -6.891 1.00 0.00 H new ATOM 0 HG2 PRO A 91 1.814 9.774 -8.474 1.00 0.00 H new ATOM 0 HG3 PRO A 91 1.329 9.344 -6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.371 11.085 -7.314 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.368 10.034 -5.911 1.00 0.00 H new ATOM 1442 N GLU A 92 4.427 9.257 -10.248 1.00 0.00 N ATOM 1443 CA GLU A 92 4.579 9.421 -11.689 1.00 0.00 C ATOM 1444 C GLU A 92 5.909 8.844 -12.165 1.00 0.00 C ATOM 1445 O GLU A 92 6.061 8.489 -13.333 1.00 0.00 O ATOM 1446 CB GLU A 92 4.485 10.900 -12.070 1.00 0.00 C ATOM 1447 CG GLU A 92 3.111 11.503 -11.835 1.00 0.00 C ATOM 1448 CD GLU A 92 3.105 13.013 -11.975 1.00 0.00 C ATOM 1449 OE1 GLU A 92 4.174 13.631 -11.789 1.00 0.00 O ATOM 1450 OE2 GLU A 92 2.031 13.577 -12.270 1.00 0.00 O ATOM 0 H GLU A 92 4.492 10.125 -9.715 1.00 0.00 H new ATOM 0 HA GLU A 92 3.771 8.876 -12.178 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.222 11.462 -11.496 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.747 11.013 -13.122 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.404 11.073 -12.544 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.766 11.233 -10.837 1.00 0.00 H new ATOM 1457 N GLN A 93 6.870 8.756 -11.250 1.00 0.00 N ATOM 1458 CA GLN A 93 8.188 8.224 -11.576 1.00 0.00 C ATOM 1459 C GLN A 93 8.403 6.864 -10.921 1.00 0.00 C ATOM 1460 O GLN A 93 9.349 6.148 -11.252 1.00 0.00 O ATOM 1461 CB GLN A 93 9.279 9.198 -11.127 1.00 0.00 C ATOM 1462 CG GLN A 93 8.927 10.658 -11.366 1.00 0.00 C ATOM 1463 CD GLN A 93 10.153 11.533 -11.536 1.00 0.00 C ATOM 1464 OE1 GLN A 93 11.067 11.201 -12.292 1.00 0.00 O ATOM 1465 NE2 GLN A 93 10.179 12.659 -10.833 1.00 0.00 N ATOM 0 H GLN A 93 6.760 9.046 -10.278 1.00 0.00 H new ATOM 0 HA GLN A 93 8.245 8.099 -12.657 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.473 9.049 -10.065 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.203 8.964 -11.656 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.303 10.736 -12.256 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.335 11.027 -10.528 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.400 12.895 -10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.978 13.288 -10.907 1.00 0.00 H new ATOM 1474 N CYS A 94 7.522 6.515 -9.991 1.00 0.00 N ATOM 1475 CA CYS A 94 7.616 5.240 -9.288 1.00 0.00 C ATOM 1476 C CYS A 94 7.533 4.072 -10.266 1.00 0.00 C ATOM 1477 O CYS A 94 6.998 4.207 -11.367 1.00 0.00 O ATOM 1478 CB CYS A 94 6.505 5.126 -8.244 1.00 0.00 C ATOM 1479 SG CYS A 94 6.810 6.074 -6.735 1.00 0.00 S ATOM 0 H CYS A 94 6.734 7.097 -9.706 1.00 0.00 H new ATOM 0 HA CYS A 94 8.582 5.201 -8.785 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.568 5.462 -8.688 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.375 4.076 -7.981 1.00 0.00 H new ATOM 0 HG CYS A 94 6.808 7.344 -7.013 1.00 0.00 H new ATOM 1485 N THR A 95 8.068 2.926 -9.858 1.00 0.00 N ATOM 1486 CA THR A 95 8.057 1.735 -10.699 1.00 0.00 C ATOM 1487 C THR A 95 7.950 0.469 -9.857 1.00 0.00 C ATOM 1488 O THR A 95 8.434 0.420 -8.726 1.00 0.00 O ATOM 1489 CB THR A 95 9.324 1.652 -11.571 1.00 0.00 C ATOM 1490 OG1 THR A 95 10.492 1.688 -10.744 1.00 0.00 O ATOM 1491 CG2 THR A 95 9.368 2.798 -12.571 1.00 0.00 C ATOM 0 H THR A 95 8.515 2.797 -8.950 1.00 0.00 H new ATOM 0 HA THR A 95 7.183 1.813 -11.346 1.00 0.00 H new ATOM 0 HB THR A 95 9.299 0.711 -12.121 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.293 1.633 -11.306 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.271 2.719 -13.176 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.492 2.750 -13.218 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.372 3.748 -12.036 1.00 0.00 H new ATOM 1499 N PHE A 96 7.314 -0.555 -10.416 1.00 0.00 N ATOM 1500 CA PHE A 96 7.143 -1.823 -9.716 1.00 0.00 C ATOM 1501 C PHE A 96 7.514 -2.997 -10.618 1.00 0.00 C ATOM 1502 O PHE A 96 6.980 -3.141 -11.718 1.00 0.00 O ATOM 1503 CB PHE A 96 5.699 -1.973 -9.233 1.00 0.00 C ATOM 1504 CG PHE A 96 4.747 -2.398 -10.314 1.00 0.00 C ATOM 1505 CD1 PHE A 96 4.695 -3.719 -10.731 1.00 0.00 C ATOM 1506 CD2 PHE A 96 3.904 -1.477 -10.915 1.00 0.00 C ATOM 1507 CE1 PHE A 96 3.820 -4.113 -11.725 1.00 0.00 C ATOM 1508 CE2 PHE A 96 3.026 -1.865 -11.909 1.00 0.00 C ATOM 1509 CZ PHE A 96 2.985 -3.185 -12.316 1.00 0.00 C ATOM 0 H PHE A 96 6.908 -0.532 -11.352 1.00 0.00 H new ATOM 0 HA PHE A 96 7.809 -1.825 -8.853 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.669 -2.704 -8.425 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.363 -1.023 -8.817 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.346 -4.449 -10.273 1.00 0.00 H new ATOM 0 HD2 PHE A 96 3.934 -0.444 -10.603 1.00 0.00 H new ATOM 0 HE1 PHE A 96 3.789 -5.146 -12.040 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.373 -1.137 -12.367 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.302 -3.490 -13.095 1.00 0.00 H new ATOM 1519 N CYS A 97 8.433 -3.831 -10.144 1.00 0.00 N ATOM 1520 CA CYS A 97 8.878 -4.992 -10.908 1.00 0.00 C ATOM 1521 C CYS A 97 9.245 -6.145 -9.980 1.00 0.00 C ATOM 1522 O CYS A 97 9.922 -5.951 -8.969 1.00 0.00 O ATOM 1523 CB CYS A 97 10.076 -4.624 -11.783 1.00 0.00 C ATOM 1524 SG CYS A 97 10.497 -5.872 -13.022 1.00 0.00 S ATOM 0 H CYS A 97 8.884 -3.725 -9.235 1.00 0.00 H new ATOM 0 HA CYS A 97 8.056 -5.312 -11.548 1.00 0.00 H new ATOM 0 HB2 CYS A 97 9.867 -3.681 -12.289 1.00 0.00 H new ATOM 0 HB3 CYS A 97 10.942 -4.457 -11.143 1.00 0.00 H new ATOM 0 HG CYS A 97 11.521 -5.469 -13.713 1.00 0.00 H new ATOM 1530 N PHE A 98 8.794 -7.345 -10.328 1.00 0.00 N ATOM 1531 CA PHE A 98 9.073 -8.530 -9.525 1.00 0.00 C ATOM 1532 C PHE A 98 10.486 -9.044 -9.787 1.00 0.00 C ATOM 1533 O PHE A 98 11.078 -8.763 -10.829 1.00 0.00 O ATOM 1534 CB PHE A 98 8.053 -9.629 -9.827 1.00 0.00 C ATOM 1535 CG PHE A 98 6.628 -9.158 -9.769 1.00 0.00 C ATOM 1536 CD1 PHE A 98 6.051 -8.519 -10.854 1.00 0.00 C ATOM 1537 CD2 PHE A 98 5.867 -9.353 -8.628 1.00 0.00 C ATOM 1538 CE1 PHE A 98 4.740 -8.084 -10.803 1.00 0.00 C ATOM 1539 CE2 PHE A 98 4.555 -8.921 -8.571 1.00 0.00 C ATOM 1540 CZ PHE A 98 3.991 -8.285 -9.660 1.00 0.00 C ATOM 0 H PHE A 98 8.233 -7.523 -11.161 1.00 0.00 H new ATOM 0 HA PHE A 98 8.996 -8.253 -8.474 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.252 -10.036 -10.818 1.00 0.00 H new ATOM 0 HB3 PHE A 98 8.187 -10.443 -9.115 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.632 -8.359 -11.750 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.304 -9.848 -7.773 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.302 -7.587 -11.656 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.972 -9.081 -7.676 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.967 -7.946 -9.618 1.00 0.00 H new ATOM 1550 N THR A 99 11.020 -9.800 -8.833 1.00 0.00 N ATOM 1551 CA THR A 99 12.363 -10.353 -8.958 1.00 0.00 C ATOM 1552 C THR A 99 12.357 -11.863 -8.753 1.00 0.00 C ATOM 1553 O THR A 99 11.298 -12.479 -8.633 1.00 0.00 O ATOM 1554 CB THR A 99 13.331 -9.712 -7.946 1.00 0.00 C ATOM 1555 OG1 THR A 99 13.385 -10.501 -6.752 1.00 0.00 O ATOM 1556 CG2 THR A 99 12.897 -8.295 -7.604 1.00 0.00 C ATOM 0 H THR A 99 10.543 -10.043 -7.965 1.00 0.00 H new ATOM 0 HA THR A 99 12.705 -10.128 -9.968 1.00 0.00 H new ATOM 0 HB THR A 99 14.321 -9.672 -8.400 1.00 0.00 H new ATOM 0 HG1 THR A 99 14.247 -10.965 -6.705 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.596 -7.863 -6.888 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.886 -7.689 -8.510 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.898 -8.316 -7.169 1.00 0.00 H new ATOM 1564 N ALA A 100 13.547 -12.455 -8.711 1.00 0.00 N ATOM 1565 CA ALA A 100 13.678 -13.893 -8.517 1.00 0.00 C ATOM 1566 C ALA A 100 12.673 -14.403 -7.490 1.00 0.00 C ATOM 1567 O ALA A 100 11.672 -15.026 -7.842 1.00 0.00 O ATOM 1568 CB ALA A 100 15.096 -14.241 -8.089 1.00 0.00 C ATOM 0 H ALA A 100 14.433 -11.960 -8.809 1.00 0.00 H new ATOM 0 HA ALA A 100 13.466 -14.383 -9.467 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.179 -15.319 -7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 100 15.798 -13.921 -8.859 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.328 -13.733 -7.153 1.00 0.00 H new ATOM 1574 N SER A 101 12.947 -14.133 -6.217 1.00 0.00 N ATOM 1575 CA SER A 101 12.069 -14.569 -5.137 1.00 0.00 C ATOM 1576 C SER A 101 11.624 -13.382 -4.287 1.00 0.00 C ATOM 1577 O SER A 101 11.207 -13.548 -3.140 1.00 0.00 O ATOM 1578 CB SER A 101 12.777 -15.603 -4.260 1.00 0.00 C ATOM 1579 OG SER A 101 14.081 -15.170 -3.913 1.00 0.00 O ATOM 0 H SER A 101 13.770 -13.615 -5.909 1.00 0.00 H new ATOM 0 HA SER A 101 11.186 -15.027 -5.582 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.195 -15.776 -3.355 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.835 -16.554 -4.789 1.00 0.00 H new ATOM 0 HG SER A 101 14.512 -15.847 -3.351 1.00 0.00 H new ATOM 1585 N ARG A 102 11.718 -12.186 -4.857 1.00 0.00 N ATOM 1586 CA ARG A 102 11.327 -10.971 -4.152 1.00 0.00 C ATOM 1587 C ARG A 102 10.817 -9.915 -5.128 1.00 0.00 C ATOM 1588 O ARG A 102 11.043 -10.011 -6.335 1.00 0.00 O ATOM 1589 CB ARG A 102 12.510 -10.415 -3.356 1.00 0.00 C ATOM 1590 CG ARG A 102 13.541 -9.703 -4.216 1.00 0.00 C ATOM 1591 CD ARG A 102 14.381 -8.738 -3.393 1.00 0.00 C ATOM 1592 NE ARG A 102 15.451 -8.134 -4.182 1.00 0.00 N ATOM 1593 CZ ARG A 102 16.545 -8.787 -4.559 1.00 0.00 C ATOM 1594 NH1 ARG A 102 16.712 -10.058 -4.221 1.00 0.00 N ATOM 1595 NH2 ARG A 102 17.474 -8.169 -5.276 1.00 0.00 N ATOM 0 H ARG A 102 12.061 -12.032 -5.805 1.00 0.00 H new ATOM 0 HA ARG A 102 10.521 -11.224 -3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 102 12.136 -9.722 -2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 102 12.996 -11.233 -2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.190 -10.438 -4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 102 13.037 -9.159 -5.015 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.741 -7.953 -2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 102 14.812 -9.267 -2.543 1.00 0.00 H new ATOM 0 HE ARG A 102 15.353 -7.157 -4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 102 16.000 -10.537 -3.670 1.00 0.00 H new ATOM 0 HH12 ARG A 102 17.553 -10.557 -4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 102 17.349 -7.191 -5.539 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.313 -8.671 -5.565 1.00 0.00 H new ATOM 1609 N ILE A 103 10.127 -8.911 -4.598 1.00 0.00 N ATOM 1610 CA ILE A 103 9.586 -7.838 -5.423 1.00 0.00 C ATOM 1611 C ILE A 103 10.373 -6.546 -5.232 1.00 0.00 C ATOM 1612 O ILE A 103 10.757 -6.201 -4.114 1.00 0.00 O ATOM 1613 CB ILE A 103 8.103 -7.575 -5.102 1.00 0.00 C ATOM 1614 CG1 ILE A 103 7.342 -8.897 -4.983 1.00 0.00 C ATOM 1615 CG2 ILE A 103 7.477 -6.691 -6.171 1.00 0.00 C ATOM 1616 CD1 ILE A 103 6.070 -8.791 -4.170 1.00 0.00 C ATOM 0 H ILE A 103 9.929 -8.818 -3.602 1.00 0.00 H new ATOM 0 HA ILE A 103 9.673 -8.163 -6.460 1.00 0.00 H new ATOM 0 HB ILE A 103 8.041 -7.054 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 103 7.096 -9.257 -5.982 1.00 0.00 H new ATOM 0 HG13 ILE A 103 7.994 -9.642 -4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.429 -6.515 -5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.005 -5.739 -6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.548 -7.186 -7.140 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.583 -9.765 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.311 -8.462 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.399 -8.070 -4.637 1.00 0.00 H new ATOM 1628 N ASP A 104 10.608 -5.835 -6.329 1.00 0.00 N ATOM 1629 CA ASP A 104 11.347 -4.579 -6.282 1.00 0.00 C ATOM 1630 C ASP A 104 10.437 -3.400 -6.613 1.00 0.00 C ATOM 1631 O ASP A 104 9.732 -3.412 -7.622 1.00 0.00 O ATOM 1632 CB ASP A 104 12.526 -4.619 -7.256 1.00 0.00 C ATOM 1633 CG ASP A 104 13.692 -3.770 -6.789 1.00 0.00 C ATOM 1634 OD1 ASP A 104 13.488 -2.561 -6.550 1.00 0.00 O ATOM 1635 OD2 ASP A 104 14.808 -4.314 -6.662 1.00 0.00 O ATOM 0 H ASP A 104 10.297 -6.107 -7.262 1.00 0.00 H new ATOM 0 HA ASP A 104 11.727 -4.448 -5.269 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.857 -5.650 -7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.197 -4.271 -8.235 1.00 0.00 H new ATOM 1640 N ILE A 105 10.457 -2.385 -5.756 1.00 0.00 N ATOM 1641 CA ILE A 105 9.634 -1.199 -5.958 1.00 0.00 C ATOM 1642 C ILE A 105 10.436 0.075 -5.715 1.00 0.00 C ATOM 1643 O ILE A 105 10.876 0.340 -4.595 1.00 0.00 O ATOM 1644 CB ILE A 105 8.404 -1.203 -5.031 1.00 0.00 C ATOM 1645 CG1 ILE A 105 7.568 -2.463 -5.263 1.00 0.00 C ATOM 1646 CG2 ILE A 105 7.565 0.046 -5.259 1.00 0.00 C ATOM 1647 CD1 ILE A 105 6.828 -2.932 -4.030 1.00 0.00 C ATOM 0 H ILE A 105 11.034 -2.360 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 105 9.298 -1.221 -6.995 1.00 0.00 H new ATOM 0 HB ILE A 105 8.747 -1.203 -3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.848 -2.270 -6.058 1.00 0.00 H new ATOM 0 HG13 ILE A 105 8.221 -3.263 -5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.699 0.029 -4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 105 8.165 0.931 -5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 105 7.228 0.074 -6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 105 6.256 -3.829 -4.268 1.00 0.00 H new ATOM 0 HD12 ILE A 105 7.544 -3.157 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.150 -2.148 -3.693 1.00 0.00 H new ATOM 1659 N CYS A 106 10.621 0.861 -6.770 1.00 0.00 N ATOM 1660 CA CYS A 106 11.370 2.109 -6.671 1.00 0.00 C ATOM 1661 C CYS A 106 10.438 3.279 -6.371 1.00 0.00 C ATOM 1662 O CYS A 106 9.646 3.690 -7.221 1.00 0.00 O ATOM 1663 CB CYS A 106 12.137 2.371 -7.968 1.00 0.00 C ATOM 1664 SG CYS A 106 13.425 3.632 -7.821 1.00 0.00 S ATOM 0 H CYS A 106 10.263 0.657 -7.703 1.00 0.00 H new ATOM 0 HA CYS A 106 12.081 2.015 -5.850 1.00 0.00 H new ATOM 0 HB2 CYS A 106 12.592 1.439 -8.303 1.00 0.00 H new ATOM 0 HB3 CYS A 106 11.431 2.676 -8.740 1.00 0.00 H new ATOM 0 HG CYS A 106 14.019 3.781 -8.968 1.00 0.00 H new ATOM 1670 N LEU A 107 10.537 3.812 -5.158 1.00 0.00 N ATOM 1671 CA LEU A 107 9.703 4.934 -4.745 1.00 0.00 C ATOM 1672 C LEU A 107 10.482 6.244 -4.806 1.00 0.00 C ATOM 1673 O LEU A 107 11.561 6.364 -4.224 1.00 0.00 O ATOM 1674 CB LEU A 107 9.175 4.708 -3.327 1.00 0.00 C ATOM 1675 CG LEU A 107 8.154 3.581 -3.163 1.00 0.00 C ATOM 1676 CD1 LEU A 107 8.227 2.995 -1.762 1.00 0.00 C ATOM 1677 CD2 LEU A 107 6.749 4.087 -3.460 1.00 0.00 C ATOM 0 H LEU A 107 11.187 3.485 -4.443 1.00 0.00 H new ATOM 0 HA LEU A 107 8.861 5.001 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 107 10.023 4.501 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.722 5.636 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 107 8.393 2.793 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 107 7.494 2.195 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.226 2.595 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 107 8.014 3.774 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 107 6.035 3.272 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.499 4.894 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.705 4.458 -4.484 1.00 0.00 H new ATOM 1689 N ARG A 108 9.928 7.224 -5.513 1.00 0.00 N ATOM 1690 CA ARG A 108 10.571 8.525 -5.649 1.00 0.00 C ATOM 1691 C ARG A 108 10.006 9.519 -4.639 1.00 0.00 C ATOM 1692 O ARG A 108 8.848 9.926 -4.733 1.00 0.00 O ATOM 1693 CB ARG A 108 10.385 9.063 -7.069 1.00 0.00 C ATOM 1694 CG ARG A 108 10.773 10.525 -7.222 1.00 0.00 C ATOM 1695 CD ARG A 108 12.279 10.692 -7.352 1.00 0.00 C ATOM 1696 NE ARG A 108 12.776 10.191 -8.630 1.00 0.00 N ATOM 1697 CZ ARG A 108 13.855 10.671 -9.238 1.00 0.00 C ATOM 1698 NH1 ARG A 108 14.546 11.660 -8.687 1.00 0.00 N ATOM 1699 NH2 ARG A 108 14.246 10.163 -10.400 1.00 0.00 N ATOM 0 H ARG A 108 9.036 7.141 -6.000 1.00 0.00 H new ATOM 0 HA ARG A 108 11.636 8.399 -5.452 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.982 8.464 -7.757 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.342 8.940 -7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.282 10.942 -8.101 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.416 11.089 -6.360 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.537 11.746 -7.251 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.774 10.163 -6.538 1.00 0.00 H new ATOM 0 HE ARG A 108 12.267 9.431 -9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.249 12.054 -7.794 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.374 12.027 -9.156 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.718 9.403 -10.828 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.075 10.533 -10.865 1.00 0.00 H new ATOM 1713 N LYS A 109 10.831 9.906 -3.672 1.00 0.00 N ATOM 1714 CA LYS A 109 10.416 10.852 -2.644 1.00 0.00 C ATOM 1715 C LYS A 109 10.383 12.274 -3.194 1.00 0.00 C ATOM 1716 O LYS A 109 11.295 12.695 -3.906 1.00 0.00 O ATOM 1717 CB LYS A 109 11.362 10.781 -1.443 1.00 0.00 C ATOM 1718 CG LYS A 109 11.208 9.512 -0.622 1.00 0.00 C ATOM 1719 CD LYS A 109 12.424 9.263 0.254 1.00 0.00 C ATOM 1720 CE LYS A 109 12.615 10.377 1.272 1.00 0.00 C ATOM 1721 NZ LYS A 109 14.048 10.560 1.632 1.00 0.00 N ATOM 0 H LYS A 109 11.792 9.578 -3.579 1.00 0.00 H new ATOM 0 HA LYS A 109 9.410 10.582 -2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.391 10.853 -1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 109 11.185 11.643 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 109 10.318 9.588 0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 109 11.059 8.662 -1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 109 12.312 8.311 0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.314 9.183 -0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.220 11.309 0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 109 12.041 10.150 2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 14.136 11.328 2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 14.419 9.678 2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 14.592 10.802 0.779 1.00 0.00 H new