USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 665 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 30 THR OG1 : rot 180:sc= -0.244 USER MOD Set 1.2: A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -160:sc= -2.48! USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.967 K(o=-0.97,f=-0.34) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc=-0.00948 (180deg=-0.481) USER MOD Single : A 37 SER OG : rot 92:sc=-0.00713 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -147:sc= -0.0759 (180deg=-1.27!) USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= -0.171 (180deg=-0.695) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -3.26! C(o=-3.3!,f=-6.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.118 X(o=0.12,f=-0.26) USER MOD Single : A 53 ASN : amide:sc= -4.09 K(o=-4.1,f=-7.4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.05 K(o=-2,f=1.2) USER MOD Single : A 65 ASN : amide:sc= -11.6! C(o=-12!,f=-9.3!) USER MOD Single : A 67 HIS : no HE2:sc= -10.7! C(o=-11!,f=-11!) USER MOD Single : A 71 THR OG1 : rot -67:sc= 0.638 USER MOD Single : A 74 THR OG1 : rot 180:sc=0.000556 USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= -5.87! (180deg=-6.26!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 149:sc= -0.243 (180deg=-1.06) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0413 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.2!) USER MOD Single : A 97 ASN : amide:sc= -3.9 K(o=-3.9,f=-1.3) USER MOD Single : A 99 ASN : amide:sc=-0.000221 K(o=-0.00022,f=-1.4) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 219 N SER A 18 0.636 -6.704 -5.683 1.00 0.00 N ATOM 220 CA SER A 18 0.066 -6.400 -4.375 1.00 0.00 C ATOM 221 C SER A 18 0.747 -5.183 -3.756 1.00 0.00 C ATOM 222 O SER A 18 1.578 -4.532 -4.391 1.00 0.00 O ATOM 223 CB SER A 18 0.203 -7.605 -3.443 1.00 0.00 C ATOM 224 OG SER A 18 1.561 -7.844 -3.115 1.00 0.00 O ATOM 0 HA SER A 18 -0.992 -6.173 -4.510 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.369 -7.431 -2.532 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.220 -8.489 -3.921 1.00 0.00 H new ATOM 0 HG SER A 18 1.663 -8.764 -2.793 1.00 0.00 H new ATOM 230 N LEU A 19 0.390 -4.882 -2.513 1.00 0.00 N ATOM 231 CA LEU A 19 0.965 -3.743 -1.806 1.00 0.00 C ATOM 232 C LEU A 19 2.443 -3.580 -2.148 1.00 0.00 C ATOM 233 O LEU A 19 2.926 -2.465 -2.344 1.00 0.00 O ATOM 234 CB LEU A 19 0.796 -3.916 -0.295 1.00 0.00 C ATOM 235 CG LEU A 19 -0.638 -4.107 0.202 1.00 0.00 C ATOM 236 CD1 LEU A 19 -0.642 -4.685 1.609 1.00 0.00 C ATOM 237 CD2 LEU A 19 -1.396 -2.789 0.161 1.00 0.00 C ATOM 0 H LEU A 19 -0.295 -5.411 -1.973 1.00 0.00 H new ATOM 0 HA LEU A 19 0.435 -2.845 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.386 -4.776 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.218 -3.041 0.200 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.142 -4.812 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.670 -4.814 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.137 -5.651 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.122 -4.005 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.414 -2.944 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.895 -2.061 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.423 -2.417 -0.863 1.00 0.00 H new ATOM 249 N TYR A 20 3.155 -4.699 -2.220 1.00 0.00 N ATOM 250 CA TYR A 20 4.578 -4.681 -2.538 1.00 0.00 C ATOM 251 C TYR A 20 4.888 -3.614 -3.584 1.00 0.00 C ATOM 252 O TYR A 20 5.806 -2.811 -3.415 1.00 0.00 O ATOM 253 CB TYR A 20 5.026 -6.053 -3.044 1.00 0.00 C ATOM 254 CG TYR A 20 4.566 -7.200 -2.173 1.00 0.00 C ATOM 255 CD1 TYR A 20 4.634 -7.117 -0.788 1.00 0.00 C ATOM 256 CD2 TYR A 20 4.062 -8.366 -2.735 1.00 0.00 C ATOM 257 CE1 TYR A 20 4.216 -8.162 0.012 1.00 0.00 C ATOM 258 CE2 TYR A 20 3.640 -9.417 -1.943 1.00 0.00 C ATOM 259 CZ TYR A 20 3.720 -9.310 -0.570 1.00 0.00 C ATOM 260 OH TYR A 20 3.300 -10.353 0.223 1.00 0.00 O ATOM 0 H TYR A 20 2.770 -5.630 -2.062 1.00 0.00 H new ATOM 0 HA TYR A 20 5.126 -4.441 -1.627 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.645 -6.200 -4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.114 -6.070 -3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.021 -6.219 -0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.999 -8.453 -3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.277 -8.081 1.087 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.250 -10.316 -2.396 1.00 0.00 H new ATOM 0 HH TYR A 20 2.978 -11.085 -0.343 1.00 0.00 H new ATOM 270 N HIS A 21 4.115 -3.612 -4.665 1.00 0.00 N ATOM 271 CA HIS A 21 4.305 -2.643 -5.739 1.00 0.00 C ATOM 272 C HIS A 21 4.039 -1.225 -5.245 1.00 0.00 C ATOM 273 O HIS A 21 4.867 -0.330 -5.419 1.00 0.00 O ATOM 274 CB HIS A 21 3.384 -2.967 -6.916 1.00 0.00 C ATOM 275 CG HIS A 21 4.011 -3.865 -7.938 1.00 0.00 C ATOM 276 ND1 HIS A 21 4.015 -3.581 -9.287 1.00 0.00 N ATOM 277 CD2 HIS A 21 4.659 -5.045 -7.801 1.00 0.00 C ATOM 278 CE1 HIS A 21 4.637 -4.549 -9.937 1.00 0.00 C ATOM 279 NE2 HIS A 21 5.038 -5.449 -9.058 1.00 0.00 N ATOM 0 H HIS A 21 3.351 -4.270 -4.821 1.00 0.00 H new ATOM 0 HA HIS A 21 5.341 -2.704 -6.071 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.477 -3.438 -6.538 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.083 -2.037 -7.398 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.844 -5.571 -6.876 1.00 0.00 H new ATOM 0 HE1 HIS A 21 4.791 -4.596 -11.005 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.547 -6.306 -9.277 1.00 0.00 H new ATOM 287 N VAL A 22 2.879 -1.026 -4.628 1.00 0.00 N ATOM 288 CA VAL A 22 2.504 0.284 -4.108 1.00 0.00 C ATOM 289 C VAL A 22 3.697 0.982 -3.467 1.00 0.00 C ATOM 290 O VAL A 22 3.883 2.189 -3.627 1.00 0.00 O ATOM 291 CB VAL A 22 1.369 0.172 -3.072 1.00 0.00 C ATOM 292 CG1 VAL A 22 1.108 1.521 -2.420 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.105 -0.369 -3.723 1.00 0.00 C ATOM 0 H VAL A 22 2.182 -1.755 -4.476 1.00 0.00 H new ATOM 0 HA VAL A 22 2.155 0.874 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 22 1.677 -0.527 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.303 1.423 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.013 1.864 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.820 2.244 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.686 -0.442 -2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.210 0.303 -4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.304 -1.357 -4.138 1.00 0.00 H new ATOM 303 N LEU A 23 4.503 0.217 -2.739 1.00 0.00 N ATOM 304 CA LEU A 23 5.680 0.762 -2.073 1.00 0.00 C ATOM 305 C LEU A 23 6.891 0.739 -3.000 1.00 0.00 C ATOM 306 O LEU A 23 7.542 1.760 -3.213 1.00 0.00 O ATOM 307 CB LEU A 23 5.983 -0.031 -0.800 1.00 0.00 C ATOM 308 CG LEU A 23 4.820 -0.199 0.179 1.00 0.00 C ATOM 309 CD1 LEU A 23 5.206 -1.139 1.310 1.00 0.00 C ATOM 310 CD2 LEU A 23 4.387 1.152 0.730 1.00 0.00 C ATOM 0 H LEU A 23 4.363 -0.783 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 23 5.469 1.798 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.335 -1.021 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.804 0.460 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 23 3.978 -0.636 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.366 -1.246 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.466 -2.115 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.063 -0.731 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.559 1.013 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.224 1.617 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.068 1.794 -0.091 1.00 0.00 H new ATOM 322 N GLY A 24 7.185 -0.435 -3.552 1.00 0.00 N ATOM 323 CA GLY A 24 8.316 -0.569 -4.452 1.00 0.00 C ATOM 324 C GLY A 24 9.184 -1.766 -4.118 1.00 0.00 C ATOM 325 O GLY A 24 10.380 -1.776 -4.411 1.00 0.00 O ATOM 0 H GLY A 24 6.660 -1.295 -3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.953 -0.662 -5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.920 0.337 -4.409 1.00 0.00 H new ATOM 329 N LEU A 25 8.582 -2.777 -3.501 1.00 0.00 N ATOM 330 CA LEU A 25 9.309 -3.985 -3.125 1.00 0.00 C ATOM 331 C LEU A 25 8.653 -5.224 -3.726 1.00 0.00 C ATOM 332 O LEU A 25 7.647 -5.127 -4.429 1.00 0.00 O ATOM 333 CB LEU A 25 9.370 -4.114 -1.602 1.00 0.00 C ATOM 334 CG LEU A 25 10.023 -2.950 -0.856 1.00 0.00 C ATOM 335 CD1 LEU A 25 9.436 -2.814 0.540 1.00 0.00 C ATOM 336 CD2 LEU A 25 11.531 -3.142 -0.786 1.00 0.00 C ATOM 0 H LEU A 25 7.593 -2.784 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 25 10.323 -3.907 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.354 -4.236 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.912 -5.027 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 25 9.818 -2.031 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.913 -1.981 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.364 -2.630 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.610 -3.734 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.980 -2.305 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.756 -4.070 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.939 -3.189 -1.796 1.00 0.00 H new ATOM 348 N ASP A 26 9.228 -6.388 -3.442 1.00 0.00 N ATOM 349 CA ASP A 26 8.697 -7.647 -3.952 1.00 0.00 C ATOM 350 C ASP A 26 7.923 -8.389 -2.867 1.00 0.00 C ATOM 351 O ASP A 26 7.739 -7.880 -1.761 1.00 0.00 O ATOM 352 CB ASP A 26 9.832 -8.527 -4.478 1.00 0.00 C ATOM 353 CG ASP A 26 10.615 -7.858 -5.590 1.00 0.00 C ATOM 354 OD1 ASP A 26 11.175 -6.768 -5.348 1.00 0.00 O ATOM 355 OD2 ASP A 26 10.669 -8.423 -6.703 1.00 0.00 O ATOM 0 H ASP A 26 10.061 -6.486 -2.862 1.00 0.00 H new ATOM 0 HA ASP A 26 8.014 -7.420 -4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.508 -8.772 -3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.419 -9.468 -4.843 1.00 0.00 H new ATOM 360 N LYS A 27 7.470 -9.595 -3.190 1.00 0.00 N ATOM 361 CA LYS A 27 6.715 -10.409 -2.245 1.00 0.00 C ATOM 362 C LYS A 27 7.627 -10.961 -1.154 1.00 0.00 C ATOM 363 O LYS A 27 7.187 -11.209 -0.031 1.00 0.00 O ATOM 364 CB LYS A 27 6.018 -11.560 -2.973 1.00 0.00 C ATOM 365 CG LYS A 27 6.974 -12.626 -3.481 1.00 0.00 C ATOM 366 CD LYS A 27 7.185 -13.723 -2.452 1.00 0.00 C ATOM 367 CE LYS A 27 5.964 -14.622 -2.338 1.00 0.00 C ATOM 368 NZ LYS A 27 6.221 -15.800 -1.464 1.00 0.00 N ATOM 0 H LYS A 27 7.613 -10.031 -4.101 1.00 0.00 H new ATOM 0 HA LYS A 27 5.961 -9.774 -1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.297 -12.022 -2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.454 -11.158 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.581 -13.060 -4.401 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.932 -12.169 -3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.054 -14.321 -2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.401 -13.276 -1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.127 -14.049 -1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.671 -14.964 -3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.364 -16.387 -1.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.002 -16.361 -1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.476 -15.475 -0.510 1.00 0.00 H new ATOM 382 N ASN A 28 8.898 -11.150 -1.491 1.00 0.00 N ATOM 383 CA ASN A 28 9.872 -11.672 -0.539 1.00 0.00 C ATOM 384 C ASN A 28 10.110 -10.680 0.596 1.00 0.00 C ATOM 385 O ASN A 28 10.417 -11.071 1.721 1.00 0.00 O ATOM 386 CB ASN A 28 11.193 -11.982 -1.246 1.00 0.00 C ATOM 387 CG ASN A 28 10.986 -12.666 -2.584 1.00 0.00 C ATOM 388 OD1 ASN A 28 11.337 -12.124 -3.632 1.00 0.00 O ATOM 389 ND2 ASN A 28 10.414 -13.864 -2.553 1.00 0.00 N ATOM 0 H ASN A 28 9.278 -10.950 -2.416 1.00 0.00 H new ATOM 0 HA ASN A 28 9.470 -12.592 -0.115 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.748 -11.056 -1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.804 -12.619 -0.606 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.250 -14.373 -3.421 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.139 -14.275 -1.661 1.00 0.00 H new ATOM 396 N ALA A 29 9.966 -9.395 0.290 1.00 0.00 N ATOM 397 CA ALA A 29 10.162 -8.347 1.284 1.00 0.00 C ATOM 398 C ALA A 29 9.481 -8.704 2.601 1.00 0.00 C ATOM 399 O ALA A 29 8.466 -9.401 2.618 1.00 0.00 O ATOM 400 CB ALA A 29 9.637 -7.018 0.760 1.00 0.00 C ATOM 0 H ALA A 29 9.714 -9.055 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 29 11.232 -8.255 1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.790 -6.244 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.172 -6.749 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.573 -7.108 0.543 1.00 0.00 H new ATOM 406 N THR A 30 10.047 -8.224 3.704 1.00 0.00 N ATOM 407 CA THR A 30 9.495 -8.494 5.025 1.00 0.00 C ATOM 408 C THR A 30 9.136 -7.200 5.747 1.00 0.00 C ATOM 409 O THR A 30 9.628 -6.127 5.398 1.00 0.00 O ATOM 410 CB THR A 30 10.484 -9.295 5.894 1.00 0.00 C ATOM 411 OG1 THR A 30 9.982 -9.408 7.230 1.00 0.00 O ATOM 412 CG2 THR A 30 11.850 -8.625 5.915 1.00 0.00 C ATOM 0 H THR A 30 10.888 -7.646 3.708 1.00 0.00 H new ATOM 0 HA THR A 30 8.592 -9.086 4.875 1.00 0.00 H new ATOM 0 HB THR A 30 10.591 -10.290 5.462 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.615 -9.920 7.775 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.532 -9.208 6.534 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.242 -8.567 4.900 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.756 -7.620 6.326 1.00 0.00 H new ATOM 420 N SER A 31 8.275 -7.309 6.754 1.00 0.00 N ATOM 421 CA SER A 31 7.847 -6.146 7.522 1.00 0.00 C ATOM 422 C SER A 31 8.989 -5.146 7.675 1.00 0.00 C ATOM 423 O SER A 31 8.839 -3.964 7.365 1.00 0.00 O ATOM 424 CB SER A 31 7.343 -6.577 8.901 1.00 0.00 C ATOM 425 OG SER A 31 8.241 -7.488 9.510 1.00 0.00 O ATOM 0 H SER A 31 7.860 -8.190 7.057 1.00 0.00 H new ATOM 0 HA SER A 31 7.034 -5.662 6.980 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.222 -5.701 9.538 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.361 -7.039 8.805 1.00 0.00 H new ATOM 0 HG SER A 31 7.897 -7.747 10.391 1.00 0.00 H new ATOM 431 N ASP A 32 10.129 -5.628 8.156 1.00 0.00 N ATOM 432 CA ASP A 32 11.298 -4.778 8.350 1.00 0.00 C ATOM 433 C ASP A 32 11.639 -4.023 7.069 1.00 0.00 C ATOM 434 O ASP A 32 11.633 -2.792 7.043 1.00 0.00 O ATOM 435 CB ASP A 32 12.496 -5.617 8.797 1.00 0.00 C ATOM 436 CG ASP A 32 12.385 -6.062 10.241 1.00 0.00 C ATOM 437 OD1 ASP A 32 12.836 -5.310 11.130 1.00 0.00 O ATOM 438 OD2 ASP A 32 11.848 -7.164 10.483 1.00 0.00 O ATOM 0 H ASP A 32 10.269 -6.604 8.419 1.00 0.00 H new ATOM 0 HA ASP A 32 11.064 -4.051 9.127 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.581 -6.494 8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.410 -5.037 8.668 1.00 0.00 H new ATOM 443 N ASP A 33 11.936 -4.768 6.010 1.00 0.00 N ATOM 444 CA ASP A 33 12.280 -4.169 4.726 1.00 0.00 C ATOM 445 C ASP A 33 11.195 -3.196 4.273 1.00 0.00 C ATOM 446 O ASP A 33 11.464 -2.257 3.522 1.00 0.00 O ATOM 447 CB ASP A 33 12.481 -5.256 3.669 1.00 0.00 C ATOM 448 CG ASP A 33 13.757 -6.045 3.886 1.00 0.00 C ATOM 449 OD1 ASP A 33 14.048 -6.394 5.049 1.00 0.00 O ATOM 450 OD2 ASP A 33 14.463 -6.315 2.893 1.00 0.00 O ATOM 0 H ASP A 33 11.945 -5.788 6.015 1.00 0.00 H new ATOM 0 HA ASP A 33 13.211 -3.616 4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.629 -5.936 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.504 -4.798 2.680 1.00 0.00 H new ATOM 455 N ILE A 34 9.970 -3.427 4.733 1.00 0.00 N ATOM 456 CA ILE A 34 8.846 -2.571 4.374 1.00 0.00 C ATOM 457 C ILE A 34 8.857 -1.280 5.187 1.00 0.00 C ATOM 458 O ILE A 34 8.513 -0.212 4.681 1.00 0.00 O ATOM 459 CB ILE A 34 7.501 -3.289 4.590 1.00 0.00 C ATOM 460 CG1 ILE A 34 7.425 -4.548 3.723 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.344 -2.352 4.275 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.395 -5.548 4.199 1.00 0.00 C ATOM 0 H ILE A 34 9.731 -4.199 5.355 1.00 0.00 H new ATOM 0 HA ILE A 34 8.956 -2.332 3.316 1.00 0.00 H new ATOM 0 HB ILE A 34 7.428 -3.586 5.636 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.193 -4.260 2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.404 -5.027 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.400 -2.874 4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.391 -1.482 4.930 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.411 -2.028 3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.396 -6.415 3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.637 -5.865 5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.408 -5.086 4.190 1.00 0.00 H new ATOM 474 N LYS A 35 9.257 -1.386 6.450 1.00 0.00 N ATOM 475 CA LYS A 35 9.316 -0.228 7.333 1.00 0.00 C ATOM 476 C LYS A 35 10.322 0.797 6.820 1.00 0.00 C ATOM 477 O LYS A 35 10.018 1.986 6.724 1.00 0.00 O ATOM 478 CB LYS A 35 9.693 -0.662 8.752 1.00 0.00 C ATOM 479 CG LYS A 35 8.615 -1.475 9.446 1.00 0.00 C ATOM 480 CD LYS A 35 9.012 -1.827 10.870 1.00 0.00 C ATOM 481 CE LYS A 35 9.745 -3.159 10.931 1.00 0.00 C ATOM 482 NZ LYS A 35 9.553 -3.838 12.243 1.00 0.00 N ATOM 0 H LYS A 35 9.545 -2.263 6.885 1.00 0.00 H new ATOM 0 HA LYS A 35 8.329 0.235 7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.610 -1.250 8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.909 0.224 9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.682 -0.911 9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.428 -2.389 8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.649 -1.041 11.276 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.121 -1.871 11.497 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.388 -3.807 10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.809 -2.996 10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.068 -4.742 12.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.917 -3.231 13.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.540 -4.016 12.397 1.00 0.00 H new ATOM 496 N LYS A 36 11.521 0.329 6.489 1.00 0.00 N ATOM 497 CA LYS A 36 12.571 1.204 5.982 1.00 0.00 C ATOM 498 C LYS A 36 12.112 1.932 4.723 1.00 0.00 C ATOM 499 O LYS A 36 12.075 3.162 4.684 1.00 0.00 O ATOM 500 CB LYS A 36 13.836 0.396 5.684 1.00 0.00 C ATOM 501 CG LYS A 36 14.763 0.255 6.880 1.00 0.00 C ATOM 502 CD LYS A 36 14.373 -0.927 7.751 1.00 0.00 C ATOM 503 CE LYS A 36 15.056 -2.207 7.292 1.00 0.00 C ATOM 504 NZ LYS A 36 15.299 -3.143 8.425 1.00 0.00 N ATOM 0 H LYS A 36 11.790 -0.652 6.563 1.00 0.00 H new ATOM 0 HA LYS A 36 12.793 1.946 6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.550 -0.597 5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.379 0.874 4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 36 15.789 0.130 6.534 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.736 1.169 7.473 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.642 -0.721 8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.292 -1.060 7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.438 -2.699 6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.004 -1.961 6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.508 -4.091 8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.106 -2.806 8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.452 -3.186 9.027 1.00 0.00 H new ATOM 518 N SER A 37 11.762 1.165 3.695 1.00 0.00 N ATOM 519 CA SER A 37 11.308 1.737 2.434 1.00 0.00 C ATOM 520 C SER A 37 10.121 2.670 2.656 1.00 0.00 C ATOM 521 O SER A 37 10.070 3.770 2.105 1.00 0.00 O ATOM 522 CB SER A 37 10.921 0.627 1.455 1.00 0.00 C ATOM 523 OG SER A 37 12.055 -0.132 1.070 1.00 0.00 O ATOM 0 H SER A 37 11.784 0.145 3.711 1.00 0.00 H new ATOM 0 HA SER A 37 12.129 2.315 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.181 -0.027 1.916 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.454 1.063 0.572 1.00 0.00 H new ATOM 0 HG SER A 37 12.152 -0.901 1.669 1.00 0.00 H new ATOM 529 N TYR A 38 9.170 2.223 3.468 1.00 0.00 N ATOM 530 CA TYR A 38 7.982 3.015 3.763 1.00 0.00 C ATOM 531 C TYR A 38 8.363 4.428 4.194 1.00 0.00 C ATOM 532 O TYR A 38 7.727 5.404 3.794 1.00 0.00 O ATOM 533 CB TYR A 38 7.153 2.342 4.859 1.00 0.00 C ATOM 534 CG TYR A 38 6.312 3.308 5.661 1.00 0.00 C ATOM 535 CD1 TYR A 38 5.314 4.062 5.054 1.00 0.00 C ATOM 536 CD2 TYR A 38 6.514 3.469 7.026 1.00 0.00 C ATOM 537 CE1 TYR A 38 4.543 4.946 5.783 1.00 0.00 C ATOM 538 CE2 TYR A 38 5.747 4.350 7.764 1.00 0.00 C ATOM 539 CZ TYR A 38 4.763 5.086 7.138 1.00 0.00 C ATOM 540 OH TYR A 38 3.998 5.966 7.868 1.00 0.00 O ATOM 0 H TYR A 38 9.199 1.316 3.934 1.00 0.00 H new ATOM 0 HA TYR A 38 7.385 3.080 2.853 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.501 1.597 4.404 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.823 1.809 5.534 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.139 3.955 3.994 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.285 2.895 7.519 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.772 5.524 5.295 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.917 4.462 8.825 1.00 0.00 H new ATOM 0 HH TYR A 38 4.280 5.944 8.806 1.00 0.00 H new ATOM 550 N ARG A 39 9.406 4.530 5.012 1.00 0.00 N ATOM 551 CA ARG A 39 9.872 5.823 5.498 1.00 0.00 C ATOM 552 C ARG A 39 10.271 6.729 4.337 1.00 0.00 C ATOM 553 O ARG A 39 9.705 7.807 4.154 1.00 0.00 O ATOM 554 CB ARG A 39 11.060 5.637 6.445 1.00 0.00 C ATOM 555 CG ARG A 39 10.672 5.089 7.808 1.00 0.00 C ATOM 556 CD ARG A 39 11.894 4.654 8.602 1.00 0.00 C ATOM 557 NE ARG A 39 11.602 4.522 10.027 1.00 0.00 N ATOM 558 CZ ARG A 39 12.340 3.801 10.864 1.00 0.00 C ATOM 559 NH1 ARG A 39 13.407 3.151 10.422 1.00 0.00 N ATOM 560 NH2 ARG A 39 12.010 3.730 12.148 1.00 0.00 N ATOM 0 H ARG A 39 9.944 3.733 5.352 1.00 0.00 H new ATOM 0 HA ARG A 39 9.053 6.296 6.040 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.780 4.962 5.983 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.562 6.596 6.578 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.127 5.850 8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.998 4.242 7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.257 3.701 8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.695 5.380 8.462 1.00 0.00 H new ATOM 0 HE ARG A 39 10.787 5.010 10.400 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.664 3.203 9.436 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.971 2.598 11.068 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.190 4.229 12.492 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.577 3.176 12.790 1.00 0.00 H new ATOM 574 N LYS A 40 11.248 6.284 3.554 1.00 0.00 N ATOM 575 CA LYS A 40 11.723 7.053 2.410 1.00 0.00 C ATOM 576 C LYS A 40 10.567 7.422 1.485 1.00 0.00 C ATOM 577 O LYS A 40 10.500 8.540 0.974 1.00 0.00 O ATOM 578 CB LYS A 40 12.776 6.257 1.636 1.00 0.00 C ATOM 579 CG LYS A 40 12.346 4.837 1.309 1.00 0.00 C ATOM 580 CD LYS A 40 13.389 4.118 0.470 1.00 0.00 C ATOM 581 CE LYS A 40 14.439 3.446 1.342 1.00 0.00 C ATOM 582 NZ LYS A 40 15.521 4.390 1.736 1.00 0.00 N ATOM 0 H LYS A 40 11.727 5.394 3.691 1.00 0.00 H new ATOM 0 HA LYS A 40 12.174 7.972 2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.006 6.781 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.696 6.224 2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.178 4.285 2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.397 4.857 0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.902 3.370 -0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.872 4.829 -0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.964 3.044 2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.871 2.602 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.421 3.874 1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.609 5.137 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.290 4.819 2.655 1.00 0.00 H new ATOM 596 N LEU A 41 9.659 6.475 1.276 1.00 0.00 N ATOM 597 CA LEU A 41 8.504 6.701 0.413 1.00 0.00 C ATOM 598 C LEU A 41 7.492 7.621 1.088 1.00 0.00 C ATOM 599 O LEU A 41 6.553 8.100 0.452 1.00 0.00 O ATOM 600 CB LEU A 41 7.841 5.370 0.056 1.00 0.00 C ATOM 601 CG LEU A 41 8.753 4.313 -0.569 1.00 0.00 C ATOM 602 CD1 LEU A 41 8.093 2.944 -0.523 1.00 0.00 C ATOM 603 CD2 LEU A 41 9.103 4.690 -2.001 1.00 0.00 C ATOM 0 H LEU A 41 9.700 5.544 1.692 1.00 0.00 H new ATOM 0 HA LEU A 41 8.853 7.183 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.401 4.952 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.022 5.569 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 41 9.675 4.269 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.757 2.205 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.894 2.671 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.155 2.974 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.752 3.927 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.190 4.763 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.618 5.651 -2.009 1.00 0.00 H new ATOM 615 N ALA A 42 7.690 7.865 2.379 1.00 0.00 N ATOM 616 CA ALA A 42 6.797 8.730 3.140 1.00 0.00 C ATOM 617 C ALA A 42 7.327 10.160 3.186 1.00 0.00 C ATOM 618 O ALA A 42 6.556 11.116 3.283 1.00 0.00 O ATOM 619 CB ALA A 42 6.610 8.189 4.549 1.00 0.00 C ATOM 0 H ALA A 42 8.462 7.475 2.920 1.00 0.00 H new ATOM 0 HA ALA A 42 5.830 8.744 2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.941 8.846 5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.179 7.189 4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.576 8.144 5.053 1.00 0.00 H new ATOM 625 N LEU A 43 8.646 10.299 3.118 1.00 0.00 N ATOM 626 CA LEU A 43 9.279 11.613 3.153 1.00 0.00 C ATOM 627 C LEU A 43 9.414 12.191 1.748 1.00 0.00 C ATOM 628 O LEU A 43 9.357 13.405 1.555 1.00 0.00 O ATOM 629 CB LEU A 43 10.656 11.520 3.812 1.00 0.00 C ATOM 630 CG LEU A 43 10.668 11.496 5.341 1.00 0.00 C ATOM 631 CD1 LEU A 43 10.717 12.911 5.897 1.00 0.00 C ATOM 632 CD2 LEU A 43 9.451 10.754 5.872 1.00 0.00 C ATOM 0 H LEU A 43 9.298 9.519 3.038 1.00 0.00 H new ATOM 0 HA LEU A 43 8.645 12.278 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.149 10.618 3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.255 12.367 3.477 1.00 0.00 H new ATOM 0 HG LEU A 43 11.563 10.968 5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.725 12.874 6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.620 13.409 5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.841 13.465 5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.476 10.747 6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.544 11.254 5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.460 9.729 5.502 1.00 0.00 H new ATOM 644 N LYS A 44 9.591 11.312 0.767 1.00 0.00 N ATOM 645 CA LYS A 44 9.730 11.732 -0.622 1.00 0.00 C ATOM 646 C LYS A 44 8.383 12.151 -1.201 1.00 0.00 C ATOM 647 O LYS A 44 8.305 13.075 -2.012 1.00 0.00 O ATOM 648 CB LYS A 44 10.328 10.601 -1.461 1.00 0.00 C ATOM 649 CG LYS A 44 9.547 9.301 -1.376 1.00 0.00 C ATOM 650 CD LYS A 44 8.566 9.163 -2.527 1.00 0.00 C ATOM 651 CE LYS A 44 9.275 9.209 -3.872 1.00 0.00 C ATOM 652 NZ LYS A 44 10.582 8.496 -3.835 1.00 0.00 N ATOM 0 H LYS A 44 9.642 10.303 0.909 1.00 0.00 H new ATOM 0 HA LYS A 44 10.401 12.591 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.376 10.919 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.353 10.421 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.239 8.459 -1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.007 9.261 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.023 8.223 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.828 9.964 -2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.638 8.760 -4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.436 10.247 -4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.888 8.282 -4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.293 9.098 -3.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.479 7.609 -3.301 1.00 0.00 H new ATOM 666 N TYR A 45 7.325 11.467 -0.780 1.00 0.00 N ATOM 667 CA TYR A 45 5.980 11.768 -1.258 1.00 0.00 C ATOM 668 C TYR A 45 5.278 12.750 -0.325 1.00 0.00 C ATOM 669 O TYR A 45 4.197 13.254 -0.635 1.00 0.00 O ATOM 670 CB TYR A 45 5.159 10.483 -1.377 1.00 0.00 C ATOM 671 CG TYR A 45 5.499 9.659 -2.598 1.00 0.00 C ATOM 672 CD1 TYR A 45 5.581 10.244 -3.855 1.00 0.00 C ATOM 673 CD2 TYR A 45 5.738 8.294 -2.493 1.00 0.00 C ATOM 674 CE1 TYR A 45 5.890 9.494 -4.973 1.00 0.00 C ATOM 675 CE2 TYR A 45 6.049 7.536 -3.606 1.00 0.00 C ATOM 676 CZ TYR A 45 6.123 8.141 -4.844 1.00 0.00 C ATOM 677 OH TYR A 45 6.433 7.390 -5.955 1.00 0.00 O ATOM 0 H TYR A 45 7.372 10.700 -0.109 1.00 0.00 H new ATOM 0 HA TYR A 45 6.066 12.228 -2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.316 9.877 -0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.100 10.740 -1.405 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.400 11.304 -3.960 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.680 7.818 -1.525 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.949 9.965 -5.943 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.233 6.476 -3.507 1.00 0.00 H new ATOM 0 HH TYR A 45 6.568 6.456 -5.691 1.00 0.00 H new ATOM 687 N HIS A 46 5.899 13.017 0.819 1.00 0.00 N ATOM 688 CA HIS A 46 5.335 13.939 1.798 1.00 0.00 C ATOM 689 C HIS A 46 4.580 15.070 1.107 1.00 0.00 C ATOM 690 O HIS A 46 5.001 15.590 0.074 1.00 0.00 O ATOM 691 CB HIS A 46 6.441 14.515 2.684 1.00 0.00 C ATOM 692 CG HIS A 46 5.983 14.853 4.069 1.00 0.00 C ATOM 693 ND1 HIS A 46 5.733 16.143 4.486 1.00 0.00 N ATOM 694 CD2 HIS A 46 5.730 14.059 5.136 1.00 0.00 C ATOM 695 CE1 HIS A 46 5.347 16.128 5.750 1.00 0.00 C ATOM 696 NE2 HIS A 46 5.336 14.875 6.167 1.00 0.00 N ATOM 0 H HIS A 46 6.793 12.608 1.091 1.00 0.00 H new ATOM 0 HA HIS A 46 4.633 13.384 2.421 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.258 13.796 2.746 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.842 15.413 2.213 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.821 12.983 5.170 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.085 16.993 6.341 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.077 14.564 7.103 1.00 0.00 H new ATOM 704 N PRO A 47 3.436 15.461 1.689 1.00 0.00 N ATOM 705 CA PRO A 47 2.598 16.534 1.146 1.00 0.00 C ATOM 706 C PRO A 47 3.250 17.905 1.283 1.00 0.00 C ATOM 707 O PRO A 47 3.094 18.767 0.418 1.00 0.00 O ATOM 708 CB PRO A 47 1.328 16.459 1.998 1.00 0.00 C ATOM 709 CG PRO A 47 1.769 15.842 3.280 1.00 0.00 C ATOM 710 CD PRO A 47 2.873 14.886 2.922 1.00 0.00 C ATOM 0 HA PRO A 47 2.419 16.410 0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.901 17.449 2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.560 15.857 1.512 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.122 16.602 3.978 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.944 15.321 3.766 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.620 14.821 3.713 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.494 13.877 2.758 1.00 0.00 H new ATOM 718 N ASP A 48 3.983 18.100 2.374 1.00 0.00 N ATOM 719 CA ASP A 48 4.661 19.367 2.623 1.00 0.00 C ATOM 720 C ASP A 48 5.765 19.603 1.597 1.00 0.00 C ATOM 721 O ASP A 48 6.097 20.745 1.278 1.00 0.00 O ATOM 722 CB ASP A 48 5.247 19.387 4.035 1.00 0.00 C ATOM 723 CG ASP A 48 4.175 19.421 5.107 1.00 0.00 C ATOM 724 OD1 ASP A 48 3.460 18.409 5.263 1.00 0.00 O ATOM 725 OD2 ASP A 48 4.052 20.459 5.789 1.00 0.00 O ATOM 0 H ASP A 48 4.123 17.397 3.100 1.00 0.00 H new ATOM 0 HA ASP A 48 3.927 20.168 2.531 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.872 18.506 4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.894 20.258 4.144 1.00 0.00 H new ATOM 730 N LYS A 49 6.332 18.516 1.085 1.00 0.00 N ATOM 731 CA LYS A 49 7.399 18.604 0.095 1.00 0.00 C ATOM 732 C LYS A 49 6.854 19.061 -1.254 1.00 0.00 C ATOM 733 O LYS A 49 7.392 19.978 -1.873 1.00 0.00 O ATOM 734 CB LYS A 49 8.094 17.249 -0.056 1.00 0.00 C ATOM 735 CG LYS A 49 8.709 16.733 1.233 1.00 0.00 C ATOM 736 CD LYS A 49 10.100 17.304 1.455 1.00 0.00 C ATOM 737 CE LYS A 49 10.440 17.384 2.935 1.00 0.00 C ATOM 738 NZ LYS A 49 10.540 16.034 3.555 1.00 0.00 N ATOM 0 H LYS A 49 6.070 17.563 1.339 1.00 0.00 H new ATOM 0 HA LYS A 49 8.123 19.341 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.372 16.519 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.874 17.333 -0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.068 16.997 2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.762 15.645 1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.835 16.682 0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.161 18.298 1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.384 17.913 3.063 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.677 17.965 3.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.773 16.132 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.631 15.538 3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.286 15.488 3.079 1.00 0.00 H new ATOM 752 N ASN A 50 5.782 18.416 -1.703 1.00 0.00 N ATOM 753 CA ASN A 50 5.163 18.757 -2.979 1.00 0.00 C ATOM 754 C ASN A 50 4.084 19.820 -2.793 1.00 0.00 C ATOM 755 O ASN A 50 3.119 19.636 -2.051 1.00 0.00 O ATOM 756 CB ASN A 50 4.560 17.509 -3.627 1.00 0.00 C ATOM 757 CG ASN A 50 5.545 16.358 -3.690 1.00 0.00 C ATOM 758 OD1 ASN A 50 6.131 16.084 -4.738 1.00 0.00 O ATOM 759 ND2 ASN A 50 5.730 15.676 -2.566 1.00 0.00 N ATOM 0 H ASN A 50 5.324 17.654 -1.202 1.00 0.00 H new ATOM 0 HA ASN A 50 5.936 19.160 -3.634 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.679 17.200 -3.064 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.224 17.752 -4.635 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.379 14.890 -2.548 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.223 15.938 -1.721 1.00 0.00 H new ATOM 766 N PRO A 51 4.249 20.958 -3.484 1.00 0.00 N ATOM 767 CA PRO A 51 3.298 22.071 -3.412 1.00 0.00 C ATOM 768 C PRO A 51 1.969 21.743 -4.082 1.00 0.00 C ATOM 769 O PRO A 51 1.911 21.520 -5.292 1.00 0.00 O ATOM 770 CB PRO A 51 4.013 23.196 -4.165 1.00 0.00 C ATOM 771 CG PRO A 51 4.942 22.498 -5.097 1.00 0.00 C ATOM 772 CD PRO A 51 5.375 21.245 -4.387 1.00 0.00 C ATOM 0 HA PRO A 51 3.042 22.323 -2.383 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.304 23.822 -4.707 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.555 23.848 -3.480 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.446 22.262 -6.038 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.799 23.127 -5.337 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.548 20.427 -5.086 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.303 21.396 -3.836 1.00 0.00 H new ATOM 780 N ASP A 52 0.903 21.715 -3.290 1.00 0.00 N ATOM 781 CA ASP A 52 -0.427 21.415 -3.807 1.00 0.00 C ATOM 782 C ASP A 52 -0.352 20.403 -4.946 1.00 0.00 C ATOM 783 O ASP A 52 -0.980 20.580 -5.989 1.00 0.00 O ATOM 784 CB ASP A 52 -1.111 22.695 -4.289 1.00 0.00 C ATOM 785 CG ASP A 52 -2.483 22.432 -4.878 1.00 0.00 C ATOM 786 OD1 ASP A 52 -3.449 22.302 -4.097 1.00 0.00 O ATOM 787 OD2 ASP A 52 -2.590 22.356 -6.120 1.00 0.00 O ATOM 0 H ASP A 52 0.934 21.897 -2.287 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.015 20.981 -2.998 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.204 23.390 -3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.484 23.179 -5.038 1.00 0.00 H new ATOM 792 N ASN A 53 0.423 19.343 -4.739 1.00 0.00 N ATOM 793 CA ASN A 53 0.582 18.304 -5.750 1.00 0.00 C ATOM 794 C ASN A 53 -0.332 17.118 -5.460 1.00 0.00 C ATOM 795 O ASN A 53 -0.239 16.472 -4.415 1.00 0.00 O ATOM 796 CB ASN A 53 2.039 17.838 -5.808 1.00 0.00 C ATOM 797 CG ASN A 53 2.423 17.310 -7.176 1.00 0.00 C ATOM 798 OD1 ASN A 53 1.738 17.564 -8.167 1.00 0.00 O ATOM 799 ND2 ASN A 53 3.525 16.571 -7.237 1.00 0.00 N ATOM 0 H ASN A 53 0.950 19.181 -3.881 1.00 0.00 H new ATOM 0 HA ASN A 53 0.304 18.726 -6.716 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.694 18.669 -5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.198 17.059 -5.063 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.834 16.189 -8.131 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.062 16.386 -6.390 1.00 0.00 H new ATOM 806 N PRO A 54 -1.236 16.822 -6.405 1.00 0.00 N ATOM 807 CA PRO A 54 -2.184 15.711 -6.274 1.00 0.00 C ATOM 808 C PRO A 54 -1.500 14.352 -6.365 1.00 0.00 C ATOM 809 O PRO A 54 -1.760 13.462 -5.556 1.00 0.00 O ATOM 810 CB PRO A 54 -3.132 15.913 -7.459 1.00 0.00 C ATOM 811 CG PRO A 54 -2.329 16.665 -8.463 1.00 0.00 C ATOM 812 CD PRO A 54 -1.403 17.549 -7.675 1.00 0.00 C ATOM 0 HA PRO A 54 -2.684 15.713 -5.305 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.474 14.959 -7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.021 16.471 -7.164 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.768 15.984 -9.103 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.973 17.256 -9.114 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.450 17.690 -8.186 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.830 18.540 -7.518 1.00 0.00 H new ATOM 820 N GLU A 55 -0.625 14.199 -7.354 1.00 0.00 N ATOM 821 CA GLU A 55 0.096 12.947 -7.549 1.00 0.00 C ATOM 822 C GLU A 55 0.759 12.493 -6.252 1.00 0.00 C ATOM 823 O GLU A 55 0.679 11.323 -5.878 1.00 0.00 O ATOM 824 CB GLU A 55 1.151 13.106 -8.646 1.00 0.00 C ATOM 825 CG GLU A 55 2.328 13.976 -8.237 1.00 0.00 C ATOM 826 CD GLU A 55 3.322 14.180 -9.363 1.00 0.00 C ATOM 827 OE1 GLU A 55 2.902 14.136 -10.539 1.00 0.00 O ATOM 828 OE2 GLU A 55 4.519 14.383 -9.070 1.00 0.00 O ATOM 0 H GLU A 55 -0.399 14.926 -8.032 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.623 12.187 -7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.520 12.120 -8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.681 13.537 -9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.959 14.946 -7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.836 13.518 -7.388 1.00 0.00 H new ATOM 835 N ALA A 56 1.413 13.427 -5.570 1.00 0.00 N ATOM 836 CA ALA A 56 2.089 13.124 -4.314 1.00 0.00 C ATOM 837 C ALA A 56 1.126 12.500 -3.310 1.00 0.00 C ATOM 838 O ALA A 56 1.450 11.505 -2.662 1.00 0.00 O ATOM 839 CB ALA A 56 2.715 14.384 -3.735 1.00 0.00 C ATOM 0 H ALA A 56 1.489 14.400 -5.866 1.00 0.00 H new ATOM 0 HA ALA A 56 2.878 12.401 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.216 14.143 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.441 14.787 -4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.937 15.125 -3.551 1.00 0.00 H new ATOM 845 N ALA A 57 -0.058 13.091 -3.186 1.00 0.00 N ATOM 846 CA ALA A 57 -1.067 12.591 -2.261 1.00 0.00 C ATOM 847 C ALA A 57 -1.640 11.261 -2.740 1.00 0.00 C ATOM 848 O ALA A 57 -1.860 10.347 -1.945 1.00 0.00 O ATOM 849 CB ALA A 57 -2.179 13.615 -2.089 1.00 0.00 C ATOM 0 H ALA A 57 -0.342 13.916 -3.714 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.589 12.424 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.926 13.228 -1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.762 14.542 -1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.647 13.810 -3.054 1.00 0.00 H new ATOM 855 N ASP A 58 -1.880 11.160 -4.042 1.00 0.00 N ATOM 856 CA ASP A 58 -2.427 9.941 -4.627 1.00 0.00 C ATOM 857 C ASP A 58 -1.638 8.718 -4.170 1.00 0.00 C ATOM 858 O ASP A 58 -2.200 7.639 -3.981 1.00 0.00 O ATOM 859 CB ASP A 58 -2.413 10.032 -6.154 1.00 0.00 C ATOM 860 CG ASP A 58 -3.321 9.006 -6.803 1.00 0.00 C ATOM 861 OD1 ASP A 58 -4.498 8.913 -6.395 1.00 0.00 O ATOM 862 OD2 ASP A 58 -2.855 8.297 -7.719 1.00 0.00 O ATOM 0 H ASP A 58 -1.704 11.908 -4.713 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.457 9.834 -4.287 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.723 11.032 -6.458 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.394 9.891 -6.514 1.00 0.00 H new ATOM 867 N LYS A 59 -0.333 8.894 -3.995 1.00 0.00 N ATOM 868 CA LYS A 59 0.534 7.805 -3.560 1.00 0.00 C ATOM 869 C LYS A 59 0.489 7.646 -2.043 1.00 0.00 C ATOM 870 O LYS A 59 0.082 6.603 -1.530 1.00 0.00 O ATOM 871 CB LYS A 59 1.973 8.060 -4.014 1.00 0.00 C ATOM 872 CG LYS A 59 2.284 7.501 -5.391 1.00 0.00 C ATOM 873 CD LYS A 59 2.368 5.983 -5.371 1.00 0.00 C ATOM 874 CE LYS A 59 2.771 5.430 -6.730 1.00 0.00 C ATOM 875 NZ LYS A 59 2.610 3.951 -6.795 1.00 0.00 N ATOM 0 H LYS A 59 0.148 9.780 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 59 0.173 6.883 -4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.159 9.134 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.657 7.619 -3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.513 7.814 -6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.228 7.914 -5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.091 5.667 -4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.403 5.568 -5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.164 5.896 -7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.809 5.692 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.895 3.612 -7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.208 3.505 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.615 3.702 -6.624 1.00 0.00 H new ATOM 889 N PHE A 60 0.908 8.687 -1.331 1.00 0.00 N ATOM 890 CA PHE A 60 0.915 8.662 0.127 1.00 0.00 C ATOM 891 C PHE A 60 -0.326 7.956 0.665 1.00 0.00 C ATOM 892 O PHE A 60 -0.230 6.911 1.309 1.00 0.00 O ATOM 893 CB PHE A 60 0.985 10.087 0.682 1.00 0.00 C ATOM 894 CG PHE A 60 1.463 10.153 2.104 1.00 0.00 C ATOM 895 CD1 PHE A 60 2.705 9.651 2.456 1.00 0.00 C ATOM 896 CD2 PHE A 60 0.669 10.718 3.090 1.00 0.00 C ATOM 897 CE1 PHE A 60 3.147 9.711 3.764 1.00 0.00 C ATOM 898 CE2 PHE A 60 1.105 10.780 4.400 1.00 0.00 C ATOM 899 CZ PHE A 60 2.346 10.277 4.737 1.00 0.00 C ATOM 0 H PHE A 60 1.247 9.558 -1.740 1.00 0.00 H new ATOM 0 HA PHE A 60 1.796 8.108 0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.651 10.680 0.055 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.003 10.542 0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.335 9.208 1.699 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.302 11.114 2.831 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.118 9.316 4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.476 11.221 5.159 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.690 10.326 5.760 1.00 0.00 H new ATOM 909 N LYS A 61 -1.492 8.534 0.396 1.00 0.00 N ATOM 910 CA LYS A 61 -2.753 7.962 0.852 1.00 0.00 C ATOM 911 C LYS A 61 -2.730 6.440 0.744 1.00 0.00 C ATOM 912 O LYS A 61 -3.267 5.741 1.601 1.00 0.00 O ATOM 913 CB LYS A 61 -3.917 8.524 0.033 1.00 0.00 C ATOM 914 CG LYS A 61 -4.028 7.924 -1.358 1.00 0.00 C ATOM 915 CD LYS A 61 -5.372 8.237 -1.994 1.00 0.00 C ATOM 916 CE LYS A 61 -5.780 7.163 -2.991 1.00 0.00 C ATOM 917 NZ LYS A 61 -6.573 6.079 -2.346 1.00 0.00 N ATOM 0 H LYS A 61 -1.590 9.399 -0.136 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.889 8.233 1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.848 8.347 0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.800 9.604 -0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.227 8.312 -1.988 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.894 6.844 -1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.132 8.322 -1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.321 9.202 -2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.366 7.614 -3.791 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.888 6.736 -3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.832 5.367 -3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.005 5.631 -1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.437 6.482 -1.930 1.00 0.00 H new ATOM 931 N GLU A 62 -2.104 5.936 -0.315 1.00 0.00 N ATOM 932 CA GLU A 62 -2.012 4.497 -0.533 1.00 0.00 C ATOM 933 C GLU A 62 -0.902 3.887 0.319 1.00 0.00 C ATOM 934 O GLU A 62 -1.100 2.864 0.975 1.00 0.00 O ATOM 935 CB GLU A 62 -1.756 4.198 -2.012 1.00 0.00 C ATOM 936 CG GLU A 62 -3.027 4.005 -2.822 1.00 0.00 C ATOM 937 CD GLU A 62 -2.833 3.064 -3.995 1.00 0.00 C ATOM 938 OE1 GLU A 62 -2.491 1.886 -3.760 1.00 0.00 O ATOM 939 OE2 GLU A 62 -3.024 3.505 -5.148 1.00 0.00 O ATOM 0 H GLU A 62 -1.654 6.502 -1.034 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.961 4.050 -0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.180 5.016 -2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.144 3.299 -2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.811 3.614 -2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.370 4.972 -3.190 1.00 0.00 H new ATOM 946 N ILE A 63 0.264 4.523 0.304 1.00 0.00 N ATOM 947 CA ILE A 63 1.405 4.045 1.076 1.00 0.00 C ATOM 948 C ILE A 63 1.032 3.845 2.541 1.00 0.00 C ATOM 949 O ILE A 63 1.225 2.766 3.099 1.00 0.00 O ATOM 950 CB ILE A 63 2.593 5.021 0.988 1.00 0.00 C ATOM 951 CG1 ILE A 63 2.912 5.340 -0.473 1.00 0.00 C ATOM 952 CG2 ILE A 63 3.811 4.436 1.687 1.00 0.00 C ATOM 953 CD1 ILE A 63 4.107 6.251 -0.646 1.00 0.00 C ATOM 0 H ILE A 63 0.444 5.371 -0.234 1.00 0.00 H new ATOM 0 HA ILE A 63 1.700 3.088 0.645 1.00 0.00 H new ATOM 0 HB ILE A 63 2.320 5.949 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.095 4.408 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.041 5.806 -0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.643 5.137 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.577 4.255 2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.088 3.496 1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.274 6.434 -1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.919 7.198 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.990 5.779 -0.216 1.00 0.00 H new ATOM 965 N ASN A 64 0.496 4.893 3.158 1.00 0.00 N ATOM 966 CA ASN A 64 0.094 4.832 4.559 1.00 0.00 C ATOM 967 C ASN A 64 -0.662 3.540 4.852 1.00 0.00 C ATOM 968 O ASN A 64 -0.314 2.801 5.773 1.00 0.00 O ATOM 969 CB ASN A 64 -0.778 6.038 4.914 1.00 0.00 C ATOM 970 CG ASN A 64 -0.283 7.319 4.269 1.00 0.00 C ATOM 971 OD1 ASN A 64 0.897 7.658 4.360 1.00 0.00 O ATOM 972 ND2 ASN A 64 -1.187 8.037 3.612 1.00 0.00 N ATOM 0 H ASN A 64 0.330 5.794 2.710 1.00 0.00 H new ATOM 0 HA ASN A 64 0.996 4.851 5.171 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.803 5.847 4.597 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.797 6.163 5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -0.914 8.908 3.157 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.154 7.717 3.562 1.00 0.00 H new ATOM 979 N ASN A 65 -1.697 3.274 4.063 1.00 0.00 N ATOM 980 CA ASN A 65 -2.503 2.071 4.238 1.00 0.00 C ATOM 981 C ASN A 65 -1.673 0.818 3.978 1.00 0.00 C ATOM 982 O ASN A 65 -1.738 -0.150 4.735 1.00 0.00 O ATOM 983 CB ASN A 65 -3.711 2.100 3.299 1.00 0.00 C ATOM 984 CG ASN A 65 -3.413 1.465 1.954 1.00 0.00 C ATOM 985 OD1 ASN A 65 -3.388 2.143 0.927 1.00 0.00 O ATOM 986 ND2 ASN A 65 -3.187 0.157 1.955 1.00 0.00 N ATOM 0 H ASN A 65 -1.998 3.875 3.296 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.854 2.046 5.270 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.545 1.577 3.768 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.026 3.133 3.148 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.982 -0.326 1.080 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.218 -0.365 2.831 1.00 0.00 H new ATOM 993 N ALA A 66 -0.892 0.844 2.903 1.00 0.00 N ATOM 994 CA ALA A 66 -0.047 -0.288 2.544 1.00 0.00 C ATOM 995 C ALA A 66 0.887 -0.660 3.690 1.00 0.00 C ATOM 996 O ALA A 66 0.810 -1.762 4.235 1.00 0.00 O ATOM 997 CB ALA A 66 0.753 0.027 1.289 1.00 0.00 C ATOM 0 H ALA A 66 -0.827 1.637 2.265 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.693 -1.143 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.379 -0.827 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.070 0.236 0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.383 0.898 1.468 1.00 0.00 H new ATOM 1003 N HIS A 67 1.770 0.265 4.052 1.00 0.00 N ATOM 1004 CA HIS A 67 2.721 0.033 5.134 1.00 0.00 C ATOM 1005 C HIS A 67 2.004 -0.448 6.392 1.00 0.00 C ATOM 1006 O HIS A 67 2.412 -1.430 7.013 1.00 0.00 O ATOM 1007 CB HIS A 67 3.503 1.312 5.437 1.00 0.00 C ATOM 1008 CG HIS A 67 4.320 1.232 6.689 1.00 0.00 C ATOM 1009 ND1 HIS A 67 3.938 1.819 7.877 1.00 0.00 N ATOM 1010 CD2 HIS A 67 5.506 0.626 6.935 1.00 0.00 C ATOM 1011 CE1 HIS A 67 4.853 1.580 8.798 1.00 0.00 C ATOM 1012 NE2 HIS A 67 5.815 0.858 8.253 1.00 0.00 N ATOM 0 H HIS A 67 1.847 1.182 3.612 1.00 0.00 H new ATOM 0 HA HIS A 67 3.417 -0.742 4.814 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.161 1.533 4.597 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.804 2.144 5.522 1.00 0.00 H new ATOM 0 HD1 HIS A 67 3.082 2.354 8.022 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.098 0.065 6.227 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.820 1.918 9.823 1.00 0.00 H new ATOM 1020 N ALA A 68 0.935 0.249 6.763 1.00 0.00 N ATOM 1021 CA ALA A 68 0.162 -0.108 7.945 1.00 0.00 C ATOM 1022 C ALA A 68 -0.306 -1.558 7.878 1.00 0.00 C ATOM 1023 O ALA A 68 0.022 -2.366 8.747 1.00 0.00 O ATOM 1024 CB ALA A 68 -1.029 0.826 8.099 1.00 0.00 C ATOM 0 H ALA A 68 0.585 1.065 6.261 1.00 0.00 H new ATOM 0 HA ALA A 68 0.808 -0.002 8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.598 0.547 8.986 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.676 1.852 8.202 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.668 0.749 7.219 1.00 0.00 H new ATOM 1030 N ILE A 69 -1.072 -1.880 6.842 1.00 0.00 N ATOM 1031 CA ILE A 69 -1.584 -3.233 6.662 1.00 0.00 C ATOM 1032 C ILE A 69 -0.460 -4.260 6.735 1.00 0.00 C ATOM 1033 O ILE A 69 -0.548 -5.242 7.474 1.00 0.00 O ATOM 1034 CB ILE A 69 -2.315 -3.384 5.315 1.00 0.00 C ATOM 1035 CG1 ILE A 69 -3.585 -2.530 5.301 1.00 0.00 C ATOM 1036 CG2 ILE A 69 -2.650 -4.845 5.055 1.00 0.00 C ATOM 1037 CD1 ILE A 69 -4.109 -2.251 3.909 1.00 0.00 C ATOM 0 H ILE A 69 -1.352 -1.223 6.114 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.291 -3.413 7.472 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.656 -3.036 4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.360 -3.035 5.878 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.382 -1.583 5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.166 -4.935 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.731 -5.430 5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.293 -5.218 5.852 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.010 -1.641 3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.351 -1.718 3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.344 -3.193 3.413 1.00 0.00 H new ATOM 1049 N LEU A 70 0.598 -4.027 5.967 1.00 0.00 N ATOM 1050 CA LEU A 70 1.743 -4.931 5.945 1.00 0.00 C ATOM 1051 C LEU A 70 2.301 -5.136 7.350 1.00 0.00 C ATOM 1052 O LEU A 70 2.265 -6.243 7.889 1.00 0.00 O ATOM 1053 CB LEU A 70 2.835 -4.382 5.025 1.00 0.00 C ATOM 1054 CG LEU A 70 2.533 -4.422 3.527 1.00 0.00 C ATOM 1055 CD1 LEU A 70 3.663 -3.781 2.737 1.00 0.00 C ATOM 1056 CD2 LEU A 70 2.304 -5.855 3.067 1.00 0.00 C ATOM 0 H LEU A 70 0.687 -3.219 5.351 1.00 0.00 H new ATOM 0 HA LEU A 70 1.406 -5.895 5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.034 -3.348 5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.751 -4.944 5.206 1.00 0.00 H new ATOM 0 HG LEU A 70 1.622 -3.853 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.430 -3.819 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.780 -2.742 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.591 -4.322 2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.090 -5.864 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.198 -6.447 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.460 -6.281 3.609 1.00 0.00 H new ATOM 1068 N THR A 71 2.816 -4.062 7.939 1.00 0.00 N ATOM 1069 CA THR A 71 3.381 -4.123 9.282 1.00 0.00 C ATOM 1070 C THR A 71 2.429 -4.819 10.247 1.00 0.00 C ATOM 1071 O THR A 71 2.845 -5.657 11.048 1.00 0.00 O ATOM 1072 CB THR A 71 3.703 -2.716 9.820 1.00 0.00 C ATOM 1073 OG1 THR A 71 2.512 -1.922 9.858 1.00 0.00 O ATOM 1074 CG2 THR A 71 4.748 -2.031 8.954 1.00 0.00 C ATOM 0 H THR A 71 2.854 -3.139 7.507 1.00 0.00 H new ATOM 0 HA THR A 71 4.305 -4.697 9.211 1.00 0.00 H new ATOM 0 HB THR A 71 4.103 -2.820 10.829 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.203 -1.752 8.944 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.959 -1.039 9.354 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.663 -2.623 8.951 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.372 -1.939 7.935 1.00 0.00 H new ATOM 1082 N ASP A 72 1.150 -4.468 10.166 1.00 0.00 N ATOM 1083 CA ASP A 72 0.138 -5.061 11.033 1.00 0.00 C ATOM 1084 C ASP A 72 -0.125 -6.513 10.646 1.00 0.00 C ATOM 1085 O ASP A 72 -0.985 -6.798 9.813 1.00 0.00 O ATOM 1086 CB ASP A 72 -1.161 -4.258 10.959 1.00 0.00 C ATOM 1087 CG ASP A 72 -1.109 -2.995 11.798 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -0.028 -2.375 11.869 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -2.149 -2.628 12.383 1.00 0.00 O ATOM 0 H ASP A 72 0.790 -3.776 9.509 1.00 0.00 H new ATOM 0 HA ASP A 72 0.513 -5.038 12.056 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.363 -3.993 9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.990 -4.881 11.296 1.00 0.00 H new ATOM 1094 N ALA A 73 0.622 -7.428 11.256 1.00 0.00 N ATOM 1095 CA ALA A 73 0.469 -8.850 10.976 1.00 0.00 C ATOM 1096 C ALA A 73 -1.002 -9.227 10.837 1.00 0.00 C ATOM 1097 O ALA A 73 -1.427 -9.740 9.801 1.00 0.00 O ATOM 1098 CB ALA A 73 1.126 -9.677 12.072 1.00 0.00 C ATOM 0 H ALA A 73 1.339 -7.209 11.947 1.00 0.00 H new ATOM 0 HA ALA A 73 0.963 -9.064 10.028 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.004 -10.737 11.850 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.188 -9.436 12.122 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.657 -9.450 13.029 1.00 0.00 H new ATOM 1104 N THR A 74 -1.776 -8.970 11.887 1.00 0.00 N ATOM 1105 CA THR A 74 -3.200 -9.284 11.882 1.00 0.00 C ATOM 1106 C THR A 74 -3.818 -9.013 10.515 1.00 0.00 C ATOM 1107 O THR A 74 -4.395 -9.906 9.895 1.00 0.00 O ATOM 1108 CB THR A 74 -3.958 -8.469 12.946 1.00 0.00 C ATOM 1109 OG1 THR A 74 -3.329 -8.626 14.223 1.00 0.00 O ATOM 1110 CG2 THR A 74 -5.411 -8.912 13.033 1.00 0.00 C ATOM 0 H THR A 74 -1.441 -8.545 12.752 1.00 0.00 H new ATOM 0 HA THR A 74 -3.291 -10.345 12.115 1.00 0.00 H new ATOM 0 HB THR A 74 -3.931 -7.419 12.655 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.816 -8.103 14.894 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.926 -8.322 13.791 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.895 -8.764 12.067 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.454 -9.967 13.303 1.00 0.00 H new ATOM 1118 N LYS A 75 -3.693 -7.775 10.049 1.00 0.00 N ATOM 1119 CA LYS A 75 -4.237 -7.385 8.754 1.00 0.00 C ATOM 1120 C LYS A 75 -3.558 -8.153 7.625 1.00 0.00 C ATOM 1121 O LYS A 75 -4.224 -8.758 6.785 1.00 0.00 O ATOM 1122 CB LYS A 75 -4.066 -5.880 8.537 1.00 0.00 C ATOM 1123 CG LYS A 75 -4.722 -5.032 9.612 1.00 0.00 C ATOM 1124 CD LYS A 75 -5.180 -3.691 9.063 1.00 0.00 C ATOM 1125 CE LYS A 75 -6.605 -3.761 8.537 1.00 0.00 C ATOM 1126 NZ LYS A 75 -6.650 -4.188 7.111 1.00 0.00 N ATOM 0 H LYS A 75 -3.219 -7.024 10.550 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.300 -7.628 8.747 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.002 -5.645 8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.486 -5.611 7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.576 -5.567 10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.019 -4.871 10.429 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.117 -2.935 9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.511 -3.377 8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.182 -4.459 9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.078 -2.784 8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.617 -4.484 6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.367 -3.394 6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.997 -4.985 6.966 1.00 0.00 H new ATOM 1140 N ARG A 76 -2.229 -8.125 7.613 1.00 0.00 N ATOM 1141 CA ARG A 76 -1.460 -8.819 6.587 1.00 0.00 C ATOM 1142 C ARG A 76 -1.988 -10.235 6.376 1.00 0.00 C ATOM 1143 O ARG A 76 -2.110 -10.700 5.243 1.00 0.00 O ATOM 1144 CB ARG A 76 0.019 -8.868 6.974 1.00 0.00 C ATOM 1145 CG ARG A 76 0.961 -8.893 5.781 1.00 0.00 C ATOM 1146 CD ARG A 76 2.392 -9.181 6.207 1.00 0.00 C ATOM 1147 NE ARG A 76 3.161 -9.820 5.143 1.00 0.00 N ATOM 1148 CZ ARG A 76 4.379 -10.323 5.317 1.00 0.00 C ATOM 1149 NH1 ARG A 76 4.962 -10.261 6.506 1.00 0.00 N ATOM 1150 NH2 ARG A 76 5.015 -10.890 4.300 1.00 0.00 N ATOM 0 H ARG A 76 -1.663 -7.629 8.302 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.567 -8.267 5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.253 -8.001 7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.197 -9.753 7.585 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.632 -9.652 5.072 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.920 -7.934 5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.878 -8.250 6.497 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.386 -9.825 7.087 1.00 0.00 H new ATOM 0 HE ARG A 76 2.741 -9.884 4.216 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.476 -9.826 7.290 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.897 -10.648 6.636 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.569 -10.940 3.384 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.950 -11.276 4.434 1.00 0.00 H new ATOM 1164 N ASN A 77 -2.301 -10.915 7.474 1.00 0.00 N ATOM 1165 CA ASN A 77 -2.816 -12.278 7.409 1.00 0.00 C ATOM 1166 C ASN A 77 -4.094 -12.338 6.578 1.00 0.00 C ATOM 1167 O ASN A 77 -4.211 -13.149 5.659 1.00 0.00 O ATOM 1168 CB ASN A 77 -3.085 -12.811 8.818 1.00 0.00 C ATOM 1169 CG ASN A 77 -3.192 -14.323 8.853 1.00 0.00 C ATOM 1170 OD1 ASN A 77 -4.256 -14.887 8.594 1.00 0.00 O ATOM 1171 ND2 ASN A 77 -2.088 -14.988 9.173 1.00 0.00 N ATOM 0 H ASN A 77 -2.207 -10.545 8.420 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.062 -12.902 6.929 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.284 -12.491 9.484 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.009 -12.375 9.198 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.100 -16.007 9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.228 -14.480 9.380 1.00 0.00 H new ATOM 1178 N ILE A 78 -5.048 -11.474 6.907 1.00 0.00 N ATOM 1179 CA ILE A 78 -6.316 -11.427 6.190 1.00 0.00 C ATOM 1180 C ILE A 78 -6.102 -11.108 4.715 1.00 0.00 C ATOM 1181 O ILE A 78 -6.888 -11.518 3.860 1.00 0.00 O ATOM 1182 CB ILE A 78 -7.269 -10.380 6.798 1.00 0.00 C ATOM 1183 CG1 ILE A 78 -7.496 -10.667 8.284 1.00 0.00 C ATOM 1184 CG2 ILE A 78 -8.591 -10.368 6.046 1.00 0.00 C ATOM 1185 CD1 ILE A 78 -8.030 -9.480 9.053 1.00 0.00 C ATOM 0 H ILE A 78 -4.967 -10.797 7.666 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.768 -12.415 6.284 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.812 -9.395 6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.195 -11.498 8.383 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.555 -10.987 8.732 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.254 -9.623 6.487 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.412 -10.120 5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.056 -11.352 6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.167 -9.756 10.099 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.322 -8.654 8.985 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.987 -9.173 8.630 1.00 0.00 H new ATOM 1197 N TYR A 79 -5.033 -10.375 4.423 1.00 0.00 N ATOM 1198 CA TYR A 79 -4.716 -10.000 3.050 1.00 0.00 C ATOM 1199 C TYR A 79 -4.383 -11.231 2.212 1.00 0.00 C ATOM 1200 O TYR A 79 -4.814 -11.350 1.065 1.00 0.00 O ATOM 1201 CB TYR A 79 -3.542 -9.020 3.026 1.00 0.00 C ATOM 1202 CG TYR A 79 -3.333 -8.359 1.683 1.00 0.00 C ATOM 1203 CD1 TYR A 79 -4.356 -7.644 1.071 1.00 0.00 C ATOM 1204 CD2 TYR A 79 -2.113 -8.449 1.024 1.00 0.00 C ATOM 1205 CE1 TYR A 79 -4.170 -7.039 -0.156 1.00 0.00 C ATOM 1206 CE2 TYR A 79 -1.917 -7.845 -0.203 1.00 0.00 C ATOM 1207 CZ TYR A 79 -2.949 -7.142 -0.789 1.00 0.00 C ATOM 1208 OH TYR A 79 -2.759 -6.540 -2.012 1.00 0.00 O ATOM 0 H TYR A 79 -4.372 -10.029 5.118 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.593 -9.517 2.620 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.707 -8.249 3.779 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.632 -9.550 3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.313 -7.560 1.564 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.304 -9.001 1.479 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.976 -6.488 -0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.961 -7.923 -0.700 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.326 -5.743 -2.076 1.00 0.00 H new ATOM 1218 N ASP A 80 -3.613 -12.144 2.794 1.00 0.00 N ATOM 1219 CA ASP A 80 -3.222 -13.367 2.103 1.00 0.00 C ATOM 1220 C ASP A 80 -4.341 -14.402 2.156 1.00 0.00 C ATOM 1221 O ASP A 80 -4.587 -15.118 1.185 1.00 0.00 O ATOM 1222 CB ASP A 80 -1.948 -13.944 2.723 1.00 0.00 C ATOM 1223 CG ASP A 80 -1.431 -15.151 1.966 1.00 0.00 C ATOM 1224 OD1 ASP A 80 -2.238 -16.056 1.669 1.00 0.00 O ATOM 1225 OD2 ASP A 80 -0.218 -15.189 1.669 1.00 0.00 O ATOM 0 H ASP A 80 -3.247 -12.060 3.743 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.029 -13.119 1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.177 -13.174 2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.146 -14.225 3.757 1.00 0.00 H new ATOM 1230 N LYS A 81 -5.017 -14.477 3.298 1.00 0.00 N ATOM 1231 CA LYS A 81 -6.111 -15.424 3.479 1.00 0.00 C ATOM 1232 C LYS A 81 -7.274 -15.098 2.547 1.00 0.00 C ATOM 1233 O LYS A 81 -7.740 -15.955 1.797 1.00 0.00 O ATOM 1234 CB LYS A 81 -6.589 -15.411 4.933 1.00 0.00 C ATOM 1235 CG LYS A 81 -5.868 -16.410 5.820 1.00 0.00 C ATOM 1236 CD LYS A 81 -6.590 -17.746 5.857 1.00 0.00 C ATOM 1237 CE LYS A 81 -6.100 -18.676 4.758 1.00 0.00 C ATOM 1238 NZ LYS A 81 -4.632 -18.912 4.845 1.00 0.00 N ATOM 0 H LYS A 81 -4.826 -13.893 4.112 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.741 -16.419 3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.453 -14.410 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.658 -15.622 4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.851 -16.555 5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.789 -16.010 6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.437 -18.217 6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.662 -17.584 5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.626 -19.628 4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.342 -18.248 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.412 -19.865 4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.132 -18.205 4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.325 -18.831 5.835 1.00 0.00 H new ATOM 1252 N TYR A 82 -7.736 -13.854 2.599 1.00 0.00 N ATOM 1253 CA TYR A 82 -8.844 -13.414 1.760 1.00 0.00 C ATOM 1254 C TYR A 82 -8.399 -12.314 0.801 1.00 0.00 C ATOM 1255 O TYR A 82 -8.459 -12.474 -0.417 1.00 0.00 O ATOM 1256 CB TYR A 82 -10.001 -12.914 2.627 1.00 0.00 C ATOM 1257 CG TYR A 82 -10.258 -13.771 3.846 1.00 0.00 C ATOM 1258 CD1 TYR A 82 -10.230 -15.157 3.763 1.00 0.00 C ATOM 1259 CD2 TYR A 82 -10.529 -13.194 5.081 1.00 0.00 C ATOM 1260 CE1 TYR A 82 -10.465 -15.944 4.874 1.00 0.00 C ATOM 1261 CE2 TYR A 82 -10.764 -13.973 6.197 1.00 0.00 C ATOM 1262 CZ TYR A 82 -10.731 -15.347 6.089 1.00 0.00 C ATOM 1263 OH TYR A 82 -10.966 -16.127 7.198 1.00 0.00 O ATOM 0 H TYR A 82 -7.360 -13.132 3.214 1.00 0.00 H new ATOM 0 HA TYR A 82 -9.182 -14.267 1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.789 -11.894 2.948 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.907 -12.876 2.022 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.021 -15.628 2.814 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.556 -12.118 5.170 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.441 -17.021 4.792 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.973 -13.508 7.149 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.136 -15.551 7.973 1.00 0.00 H new ATOM 1273 N GLY A 83 -7.952 -11.195 1.363 1.00 0.00 N ATOM 1274 CA GLY A 83 -7.503 -10.083 0.545 1.00 0.00 C ATOM 1275 C GLY A 83 -8.343 -8.838 0.747 1.00 0.00 C ATOM 1276 O GLY A 83 -8.900 -8.625 1.823 1.00 0.00 O ATOM 0 H GLY A 83 -7.893 -11.039 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.463 -9.858 0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.535 -10.373 -0.505 1.00 0.00 H new ATOM 1280 N SER A 84 -8.433 -8.012 -0.291 1.00 0.00 N ATOM 1281 CA SER A 84 -9.207 -6.778 -0.221 1.00 0.00 C ATOM 1282 C SER A 84 -10.510 -6.997 0.543 1.00 0.00 C ATOM 1283 O SER A 84 -10.812 -6.279 1.497 1.00 0.00 O ATOM 1284 CB SER A 84 -9.509 -6.260 -1.628 1.00 0.00 C ATOM 1285 OG SER A 84 -10.113 -7.265 -2.423 1.00 0.00 O ATOM 0 H SER A 84 -7.980 -8.175 -1.190 1.00 0.00 H new ATOM 0 HA SER A 84 -8.613 -6.035 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.169 -5.395 -1.566 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.586 -5.924 -2.101 1.00 0.00 H new ATOM 0 HG SER A 84 -10.298 -6.908 -3.317 1.00 0.00 H new ATOM 1291 N LEU A 85 -11.278 -7.993 0.116 1.00 0.00 N ATOM 1292 CA LEU A 85 -12.549 -8.307 0.759 1.00 0.00 C ATOM 1293 C LEU A 85 -12.359 -8.552 2.252 1.00 0.00 C ATOM 1294 O LEU A 85 -13.049 -7.961 3.081 1.00 0.00 O ATOM 1295 CB LEU A 85 -13.183 -9.537 0.105 1.00 0.00 C ATOM 1296 CG LEU A 85 -14.683 -9.722 0.336 1.00 0.00 C ATOM 1297 CD1 LEU A 85 -15.481 -8.984 -0.728 1.00 0.00 C ATOM 1298 CD2 LEU A 85 -15.043 -11.200 0.345 1.00 0.00 C ATOM 0 H LEU A 85 -11.043 -8.597 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.213 -7.452 0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -13.005 -9.485 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.667 -10.425 0.471 1.00 0.00 H new ATOM 0 HG LEU A 85 -14.936 -9.301 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -16.547 -9.127 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -15.245 -7.921 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -15.224 -9.375 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -16.114 -11.313 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -14.775 -11.646 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -14.498 -11.702 1.144 1.00 0.00 H new ATOM 1310 N GLY A 86 -11.416 -9.427 2.588 1.00 0.00 N ATOM 1311 CA GLY A 86 -11.150 -9.733 3.981 1.00 0.00 C ATOM 1312 C GLY A 86 -11.030 -8.487 4.836 1.00 0.00 C ATOM 1313 O GLY A 86 -11.586 -8.422 5.933 1.00 0.00 O ATOM 0 H GLY A 86 -10.832 -9.929 1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.951 -10.362 4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.228 -10.310 4.053 1.00 0.00 H new ATOM 1317 N LEU A 87 -10.302 -7.496 4.334 1.00 0.00 N ATOM 1318 CA LEU A 87 -10.109 -6.245 5.060 1.00 0.00 C ATOM 1319 C LEU A 87 -11.403 -5.440 5.112 1.00 0.00 C ATOM 1320 O LEU A 87 -11.859 -5.046 6.186 1.00 0.00 O ATOM 1321 CB LEU A 87 -9.005 -5.415 4.402 1.00 0.00 C ATOM 1322 CG LEU A 87 -7.703 -6.155 4.094 1.00 0.00 C ATOM 1323 CD1 LEU A 87 -6.738 -5.248 3.345 1.00 0.00 C ATOM 1324 CD2 LEU A 87 -7.066 -6.671 5.376 1.00 0.00 C ATOM 0 H LEU A 87 -9.836 -7.534 3.428 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.813 -6.488 6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.394 -5.002 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.775 -4.572 5.053 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.935 -7.009 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.817 -5.792 3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.193 -4.928 2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.512 -4.374 3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.140 -7.195 5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.848 -5.832 6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.753 -7.356 5.873 1.00 0.00 H new ATOM 1336 N TYR A 88 -11.992 -5.202 3.945 1.00 0.00 N ATOM 1337 CA TYR A 88 -13.235 -4.444 3.858 1.00 0.00 C ATOM 1338 C TYR A 88 -14.238 -4.919 4.904 1.00 0.00 C ATOM 1339 O TYR A 88 -14.752 -4.126 5.693 1.00 0.00 O ATOM 1340 CB TYR A 88 -13.840 -4.576 2.459 1.00 0.00 C ATOM 1341 CG TYR A 88 -15.327 -4.310 2.415 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -15.845 -3.082 2.807 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -16.215 -5.287 1.979 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -17.204 -2.835 2.769 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -17.575 -5.048 1.937 1.00 0.00 C ATOM 1346 CZ TYR A 88 -18.065 -3.821 2.333 1.00 0.00 C ATOM 1347 OH TYR A 88 -19.418 -3.578 2.292 1.00 0.00 O ATOM 0 H TYR A 88 -11.629 -5.523 3.047 1.00 0.00 H new ATOM 0 HA TYR A 88 -13.006 -3.396 4.051 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -13.335 -3.882 1.787 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -13.648 -5.581 2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -15.174 -2.307 3.147 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -15.835 -6.249 1.668 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.590 -1.875 3.079 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -18.251 -5.818 1.596 1.00 0.00 H new ATOM 0 HH TYR A 88 -19.883 -4.374 1.960 1.00 0.00 H new ATOM 1357 N VAL A 89 -14.511 -6.220 4.905 1.00 0.00 N ATOM 1358 CA VAL A 89 -15.451 -6.803 5.855 1.00 0.00 C ATOM 1359 C VAL A 89 -14.986 -6.588 7.291 1.00 0.00 C ATOM 1360 O VAL A 89 -15.739 -6.095 8.130 1.00 0.00 O ATOM 1361 CB VAL A 89 -15.635 -8.312 5.608 1.00 0.00 C ATOM 1362 CG1 VAL A 89 -16.565 -8.915 6.650 1.00 0.00 C ATOM 1363 CG2 VAL A 89 -16.164 -8.561 4.203 1.00 0.00 C ATOM 0 H VAL A 89 -14.095 -6.890 4.259 1.00 0.00 H new ATOM 0 HA VAL A 89 -16.406 -6.298 5.706 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.663 -8.798 5.698 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.683 -9.982 6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -16.142 -8.769 7.644 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.538 -8.427 6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -16.288 -9.632 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -17.126 -8.063 4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -15.457 -8.166 3.473 1.00 0.00 H new ATOM 1373 N ALA A 90 -13.740 -6.960 7.566 1.00 0.00 N ATOM 1374 CA ALA A 90 -13.173 -6.805 8.900 1.00 0.00 C ATOM 1375 C ALA A 90 -13.454 -5.414 9.457 1.00 0.00 C ATOM 1376 O ALA A 90 -14.000 -5.273 10.551 1.00 0.00 O ATOM 1377 CB ALA A 90 -11.675 -7.071 8.871 1.00 0.00 C ATOM 0 H ALA A 90 -13.104 -7.371 6.883 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.648 -7.534 9.557 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.265 -6.952 9.874 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.493 -8.088 8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.193 -6.364 8.195 1.00 0.00 H new ATOM 1383 N GLU A 91 -13.077 -4.389 8.698 1.00 0.00 N ATOM 1384 CA GLU A 91 -13.288 -3.009 9.119 1.00 0.00 C ATOM 1385 C GLU A 91 -14.754 -2.764 9.464 1.00 0.00 C ATOM 1386 O GLU A 91 -15.067 -2.066 10.428 1.00 0.00 O ATOM 1387 CB GLU A 91 -12.843 -2.043 8.019 1.00 0.00 C ATOM 1388 CG GLU A 91 -12.432 -0.676 8.539 1.00 0.00 C ATOM 1389 CD GLU A 91 -11.839 0.205 7.458 1.00 0.00 C ATOM 1390 OE1 GLU A 91 -11.059 -0.312 6.631 1.00 0.00 O ATOM 1391 OE2 GLU A 91 -12.155 1.413 7.438 1.00 0.00 O ATOM 0 H GLU A 91 -12.624 -4.489 7.789 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.688 -2.833 10.012 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.006 -2.483 7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.656 -1.921 7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.301 -0.180 8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.704 -0.800 9.341 1.00 0.00 H new ATOM 1398 N GLN A 92 -15.648 -3.342 8.668 1.00 0.00 N ATOM 1399 CA GLN A 92 -17.081 -3.185 8.888 1.00 0.00 C ATOM 1400 C GLN A 92 -17.506 -3.840 10.198 1.00 0.00 C ATOM 1401 O GLN A 92 -18.110 -3.198 11.058 1.00 0.00 O ATOM 1402 CB GLN A 92 -17.867 -3.790 7.724 1.00 0.00 C ATOM 1403 CG GLN A 92 -17.712 -3.022 6.421 1.00 0.00 C ATOM 1404 CD GLN A 92 -17.885 -1.527 6.601 1.00 0.00 C ATOM 1405 OE1 GLN A 92 -18.596 -1.076 7.499 1.00 0.00 O ATOM 1406 NE2 GLN A 92 -17.233 -0.748 5.745 1.00 0.00 N ATOM 0 H GLN A 92 -15.405 -3.923 7.865 1.00 0.00 H new ATOM 0 HA GLN A 92 -17.298 -2.119 8.949 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -17.540 -4.818 7.571 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -18.923 -3.828 7.990 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -16.726 -3.222 6.001 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -18.445 -3.385 5.700 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.654 -1.164 5.015 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -17.311 0.266 5.817 1.00 0.00 H new ATOM 1415 N PHE A 93 -17.186 -5.122 10.344 1.00 0.00 N ATOM 1416 CA PHE A 93 -17.535 -5.864 11.549 1.00 0.00 C ATOM 1417 C PHE A 93 -16.298 -6.134 12.400 1.00 0.00 C ATOM 1418 O PHE A 93 -16.160 -5.602 13.501 1.00 0.00 O ATOM 1419 CB PHE A 93 -18.212 -7.186 11.181 1.00 0.00 C ATOM 1420 CG PHE A 93 -19.263 -7.045 10.117 1.00 0.00 C ATOM 1421 CD1 PHE A 93 -18.920 -7.099 8.775 1.00 0.00 C ATOM 1422 CD2 PHE A 93 -20.593 -6.859 10.457 1.00 0.00 C ATOM 1423 CE1 PHE A 93 -19.884 -6.970 7.793 1.00 0.00 C ATOM 1424 CE2 PHE A 93 -21.561 -6.730 9.480 1.00 0.00 C ATOM 1425 CZ PHE A 93 -21.206 -6.784 8.146 1.00 0.00 C ATOM 0 H PHE A 93 -16.686 -5.668 9.643 1.00 0.00 H new ATOM 0 HA PHE A 93 -18.229 -5.257 12.130 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -17.454 -7.891 10.840 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -18.666 -7.614 12.075 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -17.887 -7.244 8.493 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -20.876 -6.814 11.498 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -19.604 -7.015 6.751 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -22.595 -6.587 9.759 1.00 0.00 H new ATOM 0 HZ PHE A 93 -21.961 -6.681 7.381 1.00 0.00 H new ATOM 1435 N GLY A 94 -15.399 -6.965 11.881 1.00 0.00 N ATOM 1436 CA GLY A 94 -14.185 -7.292 12.606 1.00 0.00 C ATOM 1437 C GLY A 94 -13.618 -8.641 12.209 1.00 0.00 C ATOM 1438 O GLY A 94 -14.305 -9.451 11.588 1.00 0.00 O ATOM 0 H GLY A 94 -15.490 -7.418 10.971 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.438 -6.520 12.424 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.393 -7.289 13.676 1.00 0.00 H new ATOM 1442 N GLU A 95 -12.361 -8.881 12.567 1.00 0.00 N ATOM 1443 CA GLU A 95 -11.702 -10.140 12.241 1.00 0.00 C ATOM 1444 C GLU A 95 -12.538 -11.328 12.707 1.00 0.00 C ATOM 1445 O GLU A 95 -12.783 -12.264 11.947 1.00 0.00 O ATOM 1446 CB GLU A 95 -10.313 -10.196 12.882 1.00 0.00 C ATOM 1447 CG GLU A 95 -9.358 -11.150 12.185 1.00 0.00 C ATOM 1448 CD GLU A 95 -9.626 -12.601 12.532 1.00 0.00 C ATOM 1449 OE1 GLU A 95 -10.233 -12.854 13.595 1.00 0.00 O ATOM 1450 OE2 GLU A 95 -9.230 -13.484 11.743 1.00 0.00 O ATOM 0 H GLU A 95 -11.779 -8.221 13.082 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.596 -10.195 11.158 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.880 -9.196 12.879 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.415 -10.496 13.925 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.441 -11.017 11.106 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.334 -10.898 12.460 1.00 0.00 H new ATOM 1457 N GLU A 96 -12.971 -11.283 13.963 1.00 0.00 N ATOM 1458 CA GLU A 96 -13.778 -12.356 14.531 1.00 0.00 C ATOM 1459 C GLU A 96 -15.028 -12.600 13.691 1.00 0.00 C ATOM 1460 O GLU A 96 -15.486 -13.734 13.554 1.00 0.00 O ATOM 1461 CB GLU A 96 -14.175 -12.019 15.970 1.00 0.00 C ATOM 1462 CG GLU A 96 -15.267 -10.967 16.070 1.00 0.00 C ATOM 1463 CD GLU A 96 -14.756 -9.568 15.788 1.00 0.00 C ATOM 1464 OE1 GLU A 96 -13.541 -9.334 15.961 1.00 0.00 O ATOM 1465 OE2 GLU A 96 -15.570 -8.706 15.395 1.00 0.00 O ATOM 0 H GLU A 96 -12.776 -10.515 14.606 1.00 0.00 H new ATOM 0 HA GLU A 96 -13.178 -13.266 14.531 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -14.512 -12.929 16.467 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.294 -11.669 16.508 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -16.064 -11.208 15.366 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.704 -10.996 17.068 1.00 0.00 H new ATOM 1472 N ASN A 97 -15.576 -11.526 13.131 1.00 0.00 N ATOM 1473 CA ASN A 97 -16.775 -11.623 12.305 1.00 0.00 C ATOM 1474 C ASN A 97 -16.443 -12.196 10.931 1.00 0.00 C ATOM 1475 O ASN A 97 -17.205 -12.989 10.376 1.00 0.00 O ATOM 1476 CB ASN A 97 -17.426 -10.247 12.152 1.00 0.00 C ATOM 1477 CG ASN A 97 -18.144 -9.804 13.413 1.00 0.00 C ATOM 1478 OD1 ASN A 97 -19.030 -10.497 13.912 1.00 0.00 O ATOM 1479 ND2 ASN A 97 -17.763 -8.643 13.933 1.00 0.00 N ATOM 0 H ASN A 97 -15.210 -10.580 13.234 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.475 -12.296 12.801 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.662 -9.513 11.895 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.134 -10.273 11.324 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.210 -8.293 14.780 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.024 -8.102 13.485 1.00 0.00 H new ATOM 1486 N VAL A 98 -15.300 -11.791 10.386 1.00 0.00 N ATOM 1487 CA VAL A 98 -14.866 -12.265 9.077 1.00 0.00 C ATOM 1488 C VAL A 98 -14.581 -13.762 9.103 1.00 0.00 C ATOM 1489 O VAL A 98 -14.900 -14.481 8.156 1.00 0.00 O ATOM 1490 CB VAL A 98 -13.605 -11.521 8.601 1.00 0.00 C ATOM 1491 CG1 VAL A 98 -13.140 -12.064 7.258 1.00 0.00 C ATOM 1492 CG2 VAL A 98 -13.868 -10.025 8.518 1.00 0.00 C ATOM 0 H VAL A 98 -14.658 -11.135 10.831 1.00 0.00 H new ATOM 0 HA VAL A 98 -15.681 -12.065 8.381 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.810 -11.687 9.328 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.248 -11.526 6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -12.909 -13.125 7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.930 -11.930 6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -12.966 -9.515 8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -14.677 -9.836 7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -14.150 -9.650 9.502 1.00 0.00 H new ATOM 1502 N ASN A 99 -13.978 -14.226 10.193 1.00 0.00 N ATOM 1503 CA ASN A 99 -13.650 -15.639 10.342 1.00 0.00 C ATOM 1504 C ASN A 99 -14.907 -16.501 10.273 1.00 0.00 C ATOM 1505 O ASN A 99 -15.034 -17.367 9.406 1.00 0.00 O ATOM 1506 CB ASN A 99 -12.926 -15.879 11.668 1.00 0.00 C ATOM 1507 CG ASN A 99 -12.152 -17.183 11.677 1.00 0.00 C ATOM 1508 OD1 ASN A 99 -12.238 -17.975 10.739 1.00 0.00 O ATOM 1509 ND2 ASN A 99 -11.391 -17.411 12.741 1.00 0.00 N ATOM 0 H ASN A 99 -13.707 -13.644 10.986 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.992 -15.921 9.520 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.242 -15.052 11.860 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.653 -15.886 12.480 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.847 -18.272 12.804 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.350 -16.726 13.495 1.00 0.00 H new ATOM 1516 N THR A 100 -15.836 -16.256 11.191 1.00 0.00 N ATOM 1517 CA THR A 100 -17.084 -17.009 11.236 1.00 0.00 C ATOM 1518 C THR A 100 -17.883 -16.824 9.951 1.00 0.00 C ATOM 1519 O THR A 100 -18.690 -17.678 9.583 1.00 0.00 O ATOM 1520 CB THR A 100 -17.954 -16.584 12.434 1.00 0.00 C ATOM 1521 OG1 THR A 100 -19.191 -17.305 12.421 1.00 0.00 O ATOM 1522 CG2 THR A 100 -18.232 -15.089 12.398 1.00 0.00 C ATOM 0 H THR A 100 -15.748 -15.542 11.914 1.00 0.00 H new ATOM 0 HA THR A 100 -16.816 -18.060 11.346 1.00 0.00 H new ATOM 0 HB THR A 100 -17.409 -16.814 13.350 1.00 0.00 H new ATOM 0 HG1 THR A 100 -19.738 -17.030 13.187 1.00 0.00 H new ATOM 0 HG21 THR A 100 -18.848 -14.813 13.254 1.00 0.00 H new ATOM 0 HG22 THR A 100 -17.290 -14.543 12.438 1.00 0.00 H new ATOM 0 HG23 THR A 100 -18.758 -14.839 11.477 1.00 0.00 H new ATOM 1530 N TYR A 101 -17.654 -15.706 9.273 1.00 0.00 N ATOM 1531 CA TYR A 101 -18.355 -15.409 8.029 1.00 0.00 C ATOM 1532 C TYR A 101 -17.832 -16.276 6.889 1.00 0.00 C ATOM 1533 O TYR A 101 -18.604 -16.928 6.184 1.00 0.00 O ATOM 1534 CB TYR A 101 -18.199 -13.929 7.672 1.00 0.00 C ATOM 1535 CG TYR A 101 -18.658 -13.593 6.272 1.00 0.00 C ATOM 1536 CD1 TYR A 101 -19.940 -13.914 5.843 1.00 0.00 C ATOM 1537 CD2 TYR A 101 -17.810 -12.952 5.377 1.00 0.00 C ATOM 1538 CE1 TYR A 101 -20.363 -13.610 4.564 1.00 0.00 C ATOM 1539 CE2 TYR A 101 -18.225 -12.642 4.096 1.00 0.00 C ATOM 1540 CZ TYR A 101 -19.502 -12.974 3.694 1.00 0.00 C ATOM 1541 OH TYR A 101 -19.920 -12.667 2.419 1.00 0.00 O ATOM 0 H TYR A 101 -16.988 -14.990 9.563 1.00 0.00 H new ATOM 0 HA TYR A 101 -19.412 -15.631 8.175 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -18.766 -13.330 8.385 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -17.152 -13.646 7.780 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -20.618 -14.410 6.522 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -16.809 -12.692 5.688 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -21.362 -13.869 4.247 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -17.553 -12.143 3.413 1.00 0.00 H new ATOM 0 HH TYR A 101 -19.194 -12.220 1.935 1.00 0.00 H new ATOM 1551 N PHE A 102 -16.515 -16.280 6.713 1.00 0.00 N ATOM 1552 CA PHE A 102 -15.886 -17.067 5.658 1.00 0.00 C ATOM 1553 C PHE A 102 -16.080 -18.560 5.905 1.00 0.00 C ATOM 1554 O PHE A 102 -16.054 -19.364 4.972 1.00 0.00 O ATOM 1555 CB PHE A 102 -14.394 -16.743 5.571 1.00 0.00 C ATOM 1556 CG PHE A 102 -14.086 -15.569 4.686 1.00 0.00 C ATOM 1557 CD1 PHE A 102 -14.583 -14.311 4.983 1.00 0.00 C ATOM 1558 CD2 PHE A 102 -13.299 -15.725 3.555 1.00 0.00 C ATOM 1559 CE1 PHE A 102 -14.302 -13.229 4.170 1.00 0.00 C ATOM 1560 CE2 PHE A 102 -13.014 -14.646 2.739 1.00 0.00 C ATOM 1561 CZ PHE A 102 -13.517 -13.397 3.046 1.00 0.00 C ATOM 0 H PHE A 102 -15.862 -15.747 7.287 1.00 0.00 H new ATOM 0 HA PHE A 102 -16.362 -16.808 4.713 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -14.015 -16.542 6.573 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -13.861 -17.618 5.199 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -15.198 -14.174 5.860 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.904 -16.700 3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -14.696 -12.253 4.413 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -12.398 -14.780 1.862 1.00 0.00 H new ATOM 0 HZ PHE A 102 -13.297 -12.553 2.409 1.00 0.00 H new