USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 521 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 69 TYR OH : rot 32:sc= 1.26 USER MOD Set 1.2: A 73 GLN : amide:sc= 1.09 K(o=2.3,f=1.2) USER MOD Set 2.1: A 40 ASN : amide:sc=-0.00635 K(o=-0.0064,f=-1.5) USER MOD Set 2.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= -0.0762 (180deg=-0.397) USER MOD Single : A 22 THR OG1 : rot 71:sc= 1.12 USER MOD Single : A 27 HIS : no HD1:sc= -0.256 X(o=-0.26,f=0.007) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -170:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 161:sc= -0.177 (180deg=-0.683) USER MOD Single : A 38 ASN : amide:sc= -0.237 K(o=-0.24,f=-0.78) USER MOD Single : A 41 CYS SG : rot 7:sc= -1.96 USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -0.0172 (180deg=-0.223) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= -0.0794 (180deg=-0.336) USER MOD Single : A 50 SER OG : rot -161:sc= -0.283 USER MOD Single : A 51 SER OG : rot -170:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= -0.0779 (180deg=-0.472) USER MOD Single : A 57 LYS NZ :NH3+ 140:sc= -1.79! (180deg=-4.31!) USER MOD Single : A 58 THR OG1 : rot 166:sc= 1.46 USER MOD Single : A 67 ASN : amide:sc= -0.0236 X(o=-0.024,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0331) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 11.679 6.320 -0.420 1.00 62.40 N ATOM 220 CA ILE A 15 10.628 5.915 -1.366 1.00 4.04 C ATOM 221 C ILE A 15 9.240 6.467 -0.990 1.00 64.15 C ATOM 222 O ILE A 15 8.775 6.310 0.143 1.00 44.44 O ATOM 223 CB ILE A 15 10.553 4.367 -1.479 1.00 21.35 C ATOM 224 CG1 ILE A 15 11.887 3.810 -2.014 1.00 74.30 C ATOM 225 CG2 ILE A 15 9.386 3.940 -2.373 1.00 61.30 C ATOM 226 CD1 ILE A 15 11.908 2.304 -2.181 1.00 21.44 C ATOM 0 HA ILE A 15 10.906 6.344 -2.329 1.00 4.04 H new ATOM 0 HB ILE A 15 10.378 3.955 -0.485 1.00 21.35 H new ATOM 0 HG12 ILE A 15 12.102 4.274 -2.976 1.00 74.30 H new ATOM 0 HG13 ILE A 15 12.688 4.100 -1.334 1.00 74.30 H new ATOM 0 HG21 ILE A 15 9.355 2.852 -2.436 1.00 61.30 H new ATOM 0 HG22 ILE A 15 8.451 4.306 -1.950 1.00 61.30 H new ATOM 0 HG23 ILE A 15 9.520 4.358 -3.371 1.00 61.30 H new ATOM 0 HD11 ILE A 15 12.881 1.994 -2.561 1.00 21.44 H new ATOM 0 HD12 ILE A 15 11.726 1.828 -1.217 1.00 21.44 H new ATOM 0 HD13 ILE A 15 11.131 2.005 -2.885 1.00 21.44 H new ATOM 238 N THR A 16 8.589 7.104 -1.961 1.00 50.03 N ATOM 239 CA THR A 16 7.268 7.713 -1.762 1.00 55.12 C ATOM 240 C THR A 16 6.155 6.660 -1.700 1.00 14.53 C ATOM 241 O THR A 16 6.303 5.547 -2.211 1.00 25.32 O ATOM 242 CB THR A 16 6.927 8.707 -2.899 1.00 73.42 C ATOM 243 OG1 THR A 16 6.785 8.006 -4.148 1.00 73.14 O ATOM 244 CG2 THR A 16 8.009 9.775 -3.030 1.00 43.24 C ATOM 0 H THR A 16 8.957 7.214 -2.906 1.00 50.03 H new ATOM 0 HA THR A 16 7.321 8.241 -0.810 1.00 55.12 H new ATOM 0 HB THR A 16 5.984 9.194 -2.650 1.00 73.42 H new ATOM 0 HG1 THR A 16 6.568 8.645 -4.859 1.00 73.14 H new ATOM 0 HG21 THR A 16 7.747 10.461 -3.835 1.00 43.24 H new ATOM 0 HG22 THR A 16 8.090 10.328 -2.094 1.00 43.24 H new ATOM 0 HG23 THR A 16 8.964 9.300 -3.255 1.00 43.24 H new ATOM 252 N LEU A 17 5.025 7.028 -1.089 1.00 62.02 N ATOM 253 CA LEU A 17 3.863 6.135 -0.971 1.00 2.12 C ATOM 254 C LEU A 17 3.372 5.644 -2.348 1.00 12.02 C ATOM 255 O LEU A 17 2.821 4.551 -2.466 1.00 54.43 O ATOM 256 CB LEU A 17 2.723 6.853 -0.227 1.00 75.45 C ATOM 257 CG LEU A 17 1.446 6.022 -0.003 1.00 70.11 C ATOM 258 CD1 LEU A 17 1.740 4.770 0.823 1.00 74.34 C ATOM 259 CD2 LEU A 17 0.363 6.867 0.665 1.00 24.13 C ATOM 0 H LEU A 17 4.888 7.945 -0.665 1.00 62.02 H new ATOM 0 HA LEU A 17 4.175 5.259 -0.403 1.00 2.12 H new ATOM 0 HB2 LEU A 17 3.096 7.181 0.743 1.00 75.45 H new ATOM 0 HB3 LEU A 17 2.457 7.750 -0.786 1.00 75.45 H new ATOM 0 HG LEU A 17 1.080 5.701 -0.978 1.00 70.11 H new ATOM 0 HD11 LEU A 17 0.820 4.203 0.965 1.00 74.34 H new ATOM 0 HD12 LEU A 17 2.470 4.152 0.300 1.00 74.34 H new ATOM 0 HD13 LEU A 17 2.141 5.061 1.794 1.00 74.34 H new ATOM 0 HD21 LEU A 17 -0.531 6.261 0.814 1.00 24.13 H new ATOM 0 HD22 LEU A 17 0.724 7.225 1.629 1.00 24.13 H new ATOM 0 HD23 LEU A 17 0.122 7.719 0.029 1.00 24.13 H new ATOM 271 N GLN A 18 3.584 6.456 -3.384 1.00 2.12 N ATOM 272 CA GLN A 18 3.187 6.093 -4.749 1.00 44.01 C ATOM 273 C GLN A 18 3.969 4.864 -5.257 1.00 21.31 C ATOM 274 O GLN A 18 3.374 3.835 -5.586 1.00 4.40 O ATOM 275 CB GLN A 18 3.391 7.289 -5.689 1.00 51.20 C ATOM 276 CG GLN A 18 3.030 7.009 -7.146 1.00 52.42 C ATOM 277 CD GLN A 18 3.202 8.229 -8.038 1.00 62.12 C ATOM 278 OE1 GLN A 18 4.036 9.089 -7.779 1.00 21.10 O ATOM 279 NE2 GLN A 18 2.423 8.309 -9.098 1.00 31.14 N ATOM 0 H GLN A 18 4.029 7.371 -3.306 1.00 2.12 H new ATOM 0 HA GLN A 18 2.130 5.826 -4.736 1.00 44.01 H new ATOM 0 HB2 GLN A 18 2.789 8.125 -5.331 1.00 51.20 H new ATOM 0 HB3 GLN A 18 4.434 7.603 -5.639 1.00 51.20 H new ATOM 0 HG2 GLN A 18 3.655 6.198 -7.522 1.00 52.42 H new ATOM 0 HG3 GLN A 18 1.997 6.667 -7.201 1.00 52.42 H new ATOM 0 HE21 GLN A 18 1.739 7.576 -9.285 1.00 31.14 H new ATOM 0 HE22 GLN A 18 2.504 9.104 -9.732 1.00 31.14 H new ATOM 288 N LYS A 19 5.299 4.976 -5.321 1.00 13.05 N ATOM 289 CA LYS A 19 6.156 3.838 -5.698 1.00 32.23 C ATOM 290 C LYS A 19 5.930 2.655 -4.744 1.00 51.14 C ATOM 291 O LYS A 19 5.827 1.500 -5.166 1.00 74.15 O ATOM 292 CB LYS A 19 7.638 4.253 -5.676 1.00 25.15 C ATOM 293 CG LYS A 19 8.620 3.084 -5.804 1.00 64.22 C ATOM 294 CD LYS A 19 8.586 2.433 -7.187 1.00 74.41 C ATOM 295 CE LYS A 19 9.344 3.258 -8.220 1.00 30.30 C ATOM 296 NZ LYS A 19 10.799 3.327 -7.919 1.00 2.35 N ATOM 0 H LYS A 19 5.808 5.837 -5.119 1.00 13.05 H new ATOM 0 HA LYS A 19 5.890 3.529 -6.709 1.00 32.23 H new ATOM 0 HB2 LYS A 19 7.819 4.956 -6.490 1.00 25.15 H new ATOM 0 HB3 LYS A 19 7.841 4.783 -4.746 1.00 25.15 H new ATOM 0 HG2 LYS A 19 9.630 3.439 -5.599 1.00 64.22 H new ATOM 0 HG3 LYS A 19 8.386 2.334 -5.048 1.00 64.22 H new ATOM 0 HD2 LYS A 19 9.020 1.435 -7.130 1.00 74.41 H new ATOM 0 HD3 LYS A 19 7.551 2.313 -7.507 1.00 74.41 H new ATOM 0 HE2 LYS A 19 9.199 2.823 -9.209 1.00 30.30 H new ATOM 0 HE3 LYS A 19 8.932 4.267 -8.252 1.00 30.30 H new ATOM 0 HZ1 LYS A 19 11.320 3.588 -8.781 1.00 2.35 H new ATOM 0 HZ2 LYS A 19 10.968 4.042 -7.183 1.00 2.35 H new ATOM 0 HZ3 LYS A 19 11.128 2.400 -7.583 1.00 2.35 H new ATOM 310 N LEU A 20 5.847 2.974 -3.456 1.00 63.52 N ATOM 311 CA LEU A 20 5.616 1.985 -2.398 1.00 34.53 C ATOM 312 C LEU A 20 4.370 1.124 -2.694 1.00 45.33 C ATOM 313 O LEU A 20 4.450 -0.105 -2.751 1.00 24.21 O ATOM 314 CB LEU A 20 5.479 2.739 -1.060 1.00 4.35 C ATOM 315 CG LEU A 20 5.343 1.881 0.212 1.00 73.12 C ATOM 316 CD1 LEU A 20 5.900 2.631 1.422 1.00 74.33 C ATOM 317 CD2 LEU A 20 3.887 1.487 0.464 1.00 65.11 C ATOM 0 H LEU A 20 5.938 3.930 -3.111 1.00 63.52 H new ATOM 0 HA LEU A 20 6.458 1.295 -2.346 1.00 34.53 H new ATOM 0 HB2 LEU A 20 6.350 3.384 -0.943 1.00 4.35 H new ATOM 0 HB3 LEU A 20 4.607 3.390 -1.125 1.00 4.35 H new ATOM 0 HG LEU A 20 5.920 0.969 0.061 1.00 73.12 H new ATOM 0 HD11 LEU A 20 5.797 2.012 2.313 1.00 74.33 H new ATOM 0 HD12 LEU A 20 6.954 2.856 1.257 1.00 74.33 H new ATOM 0 HD13 LEU A 20 5.347 3.560 1.560 1.00 74.33 H new ATOM 0 HD21 LEU A 20 3.825 0.882 1.369 1.00 65.11 H new ATOM 0 HD22 LEU A 20 3.283 2.386 0.586 1.00 65.11 H new ATOM 0 HD23 LEU A 20 3.514 0.912 -0.383 1.00 65.11 H new ATOM 329 N LEU A 21 3.229 1.782 -2.896 1.00 65.24 N ATOM 330 CA LEU A 21 1.978 1.087 -3.216 1.00 62.11 C ATOM 331 C LEU A 21 2.088 0.320 -4.545 1.00 41.21 C ATOM 332 O LEU A 21 1.573 -0.791 -4.675 1.00 73.40 O ATOM 333 CB LEU A 21 0.819 2.096 -3.282 1.00 35.54 C ATOM 334 CG LEU A 21 -0.576 1.491 -3.531 1.00 12.55 C ATOM 335 CD1 LEU A 21 -0.963 0.531 -2.407 1.00 35.02 C ATOM 336 CD2 LEU A 21 -1.624 2.593 -3.684 1.00 23.23 C ATOM 0 H LEU A 21 3.143 2.797 -2.844 1.00 65.24 H new ATOM 0 HA LEU A 21 1.782 0.362 -2.426 1.00 62.11 H new ATOM 0 HB2 LEU A 21 0.792 2.653 -2.345 1.00 35.54 H new ATOM 0 HB3 LEU A 21 1.031 2.814 -4.074 1.00 35.54 H new ATOM 0 HG LEU A 21 -0.537 0.924 -4.461 1.00 12.55 H new ATOM 0 HD11 LEU A 21 -1.952 0.117 -2.606 1.00 35.02 H new ATOM 0 HD12 LEU A 21 -0.235 -0.278 -2.353 1.00 35.02 H new ATOM 0 HD13 LEU A 21 -0.979 1.068 -1.459 1.00 35.02 H new ATOM 0 HD21 LEU A 21 -2.602 2.144 -3.859 1.00 23.23 H new ATOM 0 HD22 LEU A 21 -1.658 3.192 -2.774 1.00 23.23 H new ATOM 0 HD23 LEU A 21 -1.361 3.230 -4.528 1.00 23.23 H new ATOM 348 N THR A 22 2.777 0.912 -5.525 1.00 71.10 N ATOM 349 CA THR A 22 2.951 0.285 -6.845 1.00 64.31 C ATOM 350 C THR A 22 3.613 -1.096 -6.730 1.00 4.15 C ATOM 351 O THR A 22 3.086 -2.088 -7.236 1.00 75.32 O ATOM 352 CB THR A 22 3.792 1.177 -7.796 1.00 3.43 C ATOM 353 OG1 THR A 22 3.135 2.442 -7.992 1.00 22.12 O ATOM 354 CG2 THR A 22 4.010 0.499 -9.149 1.00 24.11 C ATOM 0 H THR A 22 3.224 1.824 -5.432 1.00 71.10 H new ATOM 0 HA THR A 22 1.952 0.166 -7.264 1.00 64.31 H new ATOM 0 HB THR A 22 4.765 1.335 -7.332 1.00 3.43 H new ATOM 0 HG1 THR A 22 3.191 2.971 -7.169 1.00 22.12 H new ATOM 0 HG21 THR A 22 4.603 1.151 -9.791 1.00 24.11 H new ATOM 0 HG22 THR A 22 4.537 -0.444 -9.003 1.00 24.11 H new ATOM 0 HG23 THR A 22 3.046 0.306 -9.619 1.00 24.11 H new ATOM 362 N GLU A 23 4.758 -1.165 -6.049 1.00 10.43 N ATOM 363 CA GLU A 23 5.462 -2.440 -5.868 1.00 21.02 C ATOM 364 C GLU A 23 4.612 -3.453 -5.083 1.00 65.22 C ATOM 365 O GLU A 23 4.668 -4.658 -5.344 1.00 14.14 O ATOM 366 CB GLU A 23 6.813 -2.232 -5.166 1.00 44.15 C ATOM 367 CG GLU A 23 7.880 -1.593 -6.053 1.00 64.05 C ATOM 368 CD GLU A 23 9.274 -1.684 -5.448 1.00 60.24 C ATOM 369 OE1 GLU A 23 9.748 -2.819 -5.216 1.00 1.51 O ATOM 370 OE2 GLU A 23 9.899 -0.631 -5.191 1.00 71.02 O ATOM 0 H GLU A 23 5.216 -0.363 -5.617 1.00 10.43 H new ATOM 0 HA GLU A 23 5.643 -2.847 -6.863 1.00 21.02 H new ATOM 0 HB2 GLU A 23 6.662 -1.605 -4.287 1.00 44.15 H new ATOM 0 HB3 GLU A 23 7.179 -3.195 -4.811 1.00 44.15 H new ATOM 0 HG2 GLU A 23 7.878 -2.082 -7.027 1.00 64.05 H new ATOM 0 HG3 GLU A 23 7.628 -0.546 -6.221 1.00 64.05 H new ATOM 377 N LEU A 24 3.829 -2.970 -4.121 1.00 75.11 N ATOM 378 CA LEU A 24 2.916 -3.840 -3.374 1.00 72.15 C ATOM 379 C LEU A 24 1.851 -4.447 -4.299 1.00 55.11 C ATOM 380 O LEU A 24 1.559 -5.636 -4.223 1.00 21.42 O ATOM 381 CB LEU A 24 2.250 -3.074 -2.223 1.00 31.11 C ATOM 382 CG LEU A 24 3.193 -2.642 -1.089 1.00 63.12 C ATOM 383 CD1 LEU A 24 2.428 -1.887 -0.005 1.00 41.51 C ATOM 384 CD2 LEU A 24 3.915 -3.855 -0.500 1.00 21.53 C ATOM 0 H LEU A 24 3.806 -1.990 -3.840 1.00 75.11 H new ATOM 0 HA LEU A 24 3.505 -4.654 -2.952 1.00 72.15 H new ATOM 0 HB2 LEU A 24 1.768 -2.185 -2.631 1.00 31.11 H new ATOM 0 HB3 LEU A 24 1.463 -3.698 -1.801 1.00 31.11 H new ATOM 0 HG LEU A 24 3.941 -1.967 -1.505 1.00 63.12 H new ATOM 0 HD11 LEU A 24 3.116 -1.591 0.787 1.00 41.51 H new ATOM 0 HD12 LEU A 24 1.968 -0.998 -0.436 1.00 41.51 H new ATOM 0 HD13 LEU A 24 1.653 -2.532 0.410 1.00 41.51 H new ATOM 0 HD21 LEU A 24 4.578 -3.530 0.301 1.00 21.53 H new ATOM 0 HD22 LEU A 24 3.182 -4.557 -0.102 1.00 21.53 H new ATOM 0 HD23 LEU A 24 4.500 -4.344 -1.279 1.00 21.53 H new ATOM 396 N VAL A 25 1.287 -3.629 -5.181 1.00 24.21 N ATOM 397 CA VAL A 25 0.309 -4.105 -6.163 1.00 62.12 C ATOM 398 C VAL A 25 0.958 -5.069 -7.177 1.00 54.44 C ATOM 399 O VAL A 25 0.349 -6.057 -7.592 1.00 1.42 O ATOM 400 CB VAL A 25 -0.351 -2.920 -6.914 1.00 74.21 C ATOM 401 CG1 VAL A 25 -1.328 -3.420 -7.978 1.00 4.33 C ATOM 402 CG2 VAL A 25 -1.058 -1.990 -5.930 1.00 11.34 C ATOM 0 H VAL A 25 1.488 -2.631 -5.239 1.00 24.21 H new ATOM 0 HA VAL A 25 -0.462 -4.645 -5.614 1.00 62.12 H new ATOM 0 HB VAL A 25 0.436 -2.358 -7.417 1.00 74.21 H new ATOM 0 HG11 VAL A 25 -1.776 -2.568 -8.489 1.00 4.33 H new ATOM 0 HG12 VAL A 25 -0.794 -4.037 -8.701 1.00 4.33 H new ATOM 0 HG13 VAL A 25 -2.111 -4.012 -7.504 1.00 4.33 H new ATOM 0 HG21 VAL A 25 -1.515 -1.164 -6.475 1.00 11.34 H new ATOM 0 HG22 VAL A 25 -1.830 -2.544 -5.396 1.00 11.34 H new ATOM 0 HG23 VAL A 25 -0.334 -1.597 -5.216 1.00 11.34 H new ATOM 412 N GLU A 26 2.196 -4.772 -7.566 1.00 22.34 N ATOM 413 CA GLU A 26 2.975 -5.648 -8.451 1.00 4.43 C ATOM 414 C GLU A 26 3.200 -7.038 -7.829 1.00 45.01 C ATOM 415 O GLU A 26 2.921 -8.063 -8.448 1.00 63.31 O ATOM 416 CB GLU A 26 4.337 -5.003 -8.754 1.00 73.14 C ATOM 417 CG GLU A 26 4.277 -3.812 -9.711 1.00 24.11 C ATOM 418 CD GLU A 26 4.190 -4.231 -11.172 1.00 3.22 C ATOM 419 OE1 GLU A 26 3.068 -4.420 -11.686 1.00 2.45 O ATOM 420 OE2 GLU A 26 5.255 -4.370 -11.815 1.00 32.02 O ATOM 0 H GLU A 26 2.688 -3.925 -7.282 1.00 22.34 H new ATOM 0 HA GLU A 26 2.405 -5.776 -9.371 1.00 4.43 H new ATOM 0 HB2 GLU A 26 4.787 -4.677 -7.816 1.00 73.14 H new ATOM 0 HB3 GLU A 26 4.997 -5.760 -9.178 1.00 73.14 H new ATOM 0 HG2 GLU A 26 3.413 -3.196 -9.463 1.00 24.11 H new ATOM 0 HG3 GLU A 26 5.162 -3.192 -9.568 1.00 24.11 H new ATOM 427 N HIS A 27 3.699 -7.060 -6.594 1.00 22.52 N ATOM 428 CA HIS A 27 4.121 -8.310 -5.949 1.00 41.33 C ATOM 429 C HIS A 27 3.001 -8.955 -5.106 1.00 34.31 C ATOM 430 O HIS A 27 2.689 -10.136 -5.276 1.00 15.34 O ATOM 431 CB HIS A 27 5.367 -8.044 -5.091 1.00 71.12 C ATOM 432 CG HIS A 27 6.511 -7.474 -5.882 1.00 14.53 C ATOM 433 ND1 HIS A 27 7.161 -8.181 -6.865 1.00 40.02 N ATOM 434 CD2 HIS A 27 7.104 -6.252 -5.855 1.00 51.41 C ATOM 435 CE1 HIS A 27 8.095 -7.430 -7.409 1.00 41.54 C ATOM 436 NE2 HIS A 27 8.081 -6.256 -6.818 1.00 42.41 N ATOM 0 H HIS A 27 3.822 -6.228 -6.017 1.00 22.52 H new ATOM 0 HA HIS A 27 4.360 -9.026 -6.735 1.00 41.33 H new ATOM 0 HB2 HIS A 27 5.108 -7.354 -4.288 1.00 71.12 H new ATOM 0 HB3 HIS A 27 5.685 -8.975 -4.622 1.00 71.12 H new ATOM 0 HD2 HIS A 27 6.853 -5.432 -5.199 1.00 51.41 H new ATOM 0 HE1 HIS A 27 8.760 -7.728 -8.206 1.00 41.54 H new ATOM 0 HE2 HIS A 27 8.697 -5.474 -7.040 1.00 42.41 H new ATOM 445 N TYR A 28 2.396 -8.187 -4.204 1.00 42.34 N ATOM 446 CA TYR A 28 1.320 -8.708 -3.341 1.00 64.22 C ATOM 447 C TYR A 28 -0.031 -8.722 -4.075 1.00 30.12 C ATOM 448 O TYR A 28 -0.791 -9.691 -4.000 1.00 23.55 O ATOM 449 CB TYR A 28 1.204 -7.862 -2.063 1.00 60.05 C ATOM 450 CG TYR A 28 2.396 -7.977 -1.124 1.00 34.33 C ATOM 451 CD1 TYR A 28 3.655 -7.509 -1.496 1.00 73.45 C ATOM 452 CD2 TYR A 28 2.263 -8.551 0.137 1.00 14.25 C ATOM 453 CE1 TYR A 28 4.741 -7.615 -0.644 1.00 50.03 C ATOM 454 CE2 TYR A 28 3.342 -8.658 0.993 1.00 3.22 C ATOM 455 CZ TYR A 28 4.577 -8.191 0.600 1.00 31.43 C ATOM 456 OH TYR A 28 5.653 -8.300 1.454 1.00 5.54 O ATOM 0 H TYR A 28 2.625 -7.206 -4.046 1.00 42.34 H new ATOM 0 HA TYR A 28 1.577 -9.734 -3.076 1.00 64.22 H new ATOM 0 HB2 TYR A 28 1.078 -6.816 -2.344 1.00 60.05 H new ATOM 0 HB3 TYR A 28 0.303 -8.159 -1.526 1.00 60.05 H new ATOM 0 HD1 TYR A 28 3.786 -7.055 -2.467 1.00 73.45 H new ATOM 0 HD2 TYR A 28 1.298 -8.920 0.452 1.00 14.25 H new ATOM 0 HE1 TYR A 28 5.710 -7.250 -0.950 1.00 50.03 H new ATOM 0 HE2 TYR A 28 3.218 -9.107 1.968 1.00 3.22 H new ATOM 0 HH TYR A 28 5.367 -8.727 2.288 1.00 5.54 H new ATOM 466 N GLY A 29 -0.323 -7.636 -4.783 1.00 73.35 N ATOM 467 CA GLY A 29 -1.593 -7.512 -5.491 1.00 42.34 C ATOM 468 C GLY A 29 -2.713 -6.971 -4.607 1.00 23.55 C ATOM 469 O GLY A 29 -2.630 -7.025 -3.377 1.00 54.14 O ATOM 0 H GLY A 29 0.298 -6.833 -4.882 1.00 73.35 H new ATOM 0 HA2 GLY A 29 -1.463 -6.852 -6.349 1.00 42.34 H new ATOM 0 HA3 GLY A 29 -1.883 -8.488 -5.881 1.00 42.34 H new ATOM 473 N TRP A 30 -3.773 -6.464 -5.233 1.00 14.32 N ATOM 474 CA TRP A 30 -4.922 -5.912 -4.496 1.00 24.34 C ATOM 475 C TRP A 30 -5.530 -6.953 -3.541 1.00 62.23 C ATOM 476 O TRP A 30 -6.107 -6.603 -2.513 1.00 62.41 O ATOM 477 CB TRP A 30 -5.996 -5.419 -5.478 1.00 41.44 C ATOM 478 CG TRP A 30 -5.489 -4.424 -6.482 1.00 65.04 C ATOM 479 CD1 TRP A 30 -5.225 -4.656 -7.802 1.00 75.52 C ATOM 480 CD2 TRP A 30 -5.183 -3.044 -6.249 1.00 0.25 C ATOM 481 NE1 TRP A 30 -4.778 -3.505 -8.405 1.00 62.14 N ATOM 482 CE2 TRP A 30 -4.743 -2.502 -7.470 1.00 43.34 C ATOM 483 CE3 TRP A 30 -5.238 -2.216 -5.126 1.00 14.12 C ATOM 484 CZ2 TRP A 30 -4.365 -1.168 -7.601 1.00 54.40 C ATOM 485 CZ3 TRP A 30 -4.864 -0.892 -5.257 1.00 62.51 C ATOM 486 CH2 TRP A 30 -4.429 -0.381 -6.485 1.00 40.43 C ATOM 0 H TRP A 30 -3.866 -6.421 -6.248 1.00 14.32 H new ATOM 0 HA TRP A 30 -4.562 -5.073 -3.901 1.00 24.34 H new ATOM 0 HB2 TRP A 30 -6.411 -6.276 -6.008 1.00 41.44 H new ATOM 0 HB3 TRP A 30 -6.812 -4.968 -4.913 1.00 41.44 H new ATOM 0 HD1 TRP A 30 -5.350 -5.606 -8.300 1.00 75.52 H new ATOM 0 HE1 TRP A 30 -4.515 -3.412 -9.386 1.00 62.14 H new ATOM 0 HE3 TRP A 30 -5.567 -2.603 -4.173 1.00 14.12 H new ATOM 0 HZ2 TRP A 30 -4.034 -0.770 -8.549 1.00 54.40 H new ATOM 0 HZ3 TRP A 30 -4.908 -0.240 -4.397 1.00 62.51 H new ATOM 0 HH2 TRP A 30 -4.138 0.657 -6.552 1.00 40.43 H new ATOM 497 N GLU A 31 -5.377 -8.229 -3.889 1.00 73.23 N ATOM 498 CA GLU A 31 -5.893 -9.340 -3.082 1.00 43.34 C ATOM 499 C GLU A 31 -5.342 -9.305 -1.641 1.00 11.01 C ATOM 500 O GLU A 31 -6.093 -9.111 -0.682 1.00 42.43 O ATOM 501 CB GLU A 31 -5.518 -10.670 -3.755 1.00 73.31 C ATOM 502 CG GLU A 31 -5.969 -10.769 -5.209 1.00 51.11 C ATOM 503 CD GLU A 31 -5.429 -12.003 -5.917 1.00 3.31 C ATOM 504 OE1 GLU A 31 -4.258 -11.977 -6.355 1.00 52.42 O ATOM 505 OE2 GLU A 31 -6.171 -12.998 -6.048 1.00 64.14 O ATOM 0 H GLU A 31 -4.893 -8.525 -4.737 1.00 73.23 H new ATOM 0 HA GLU A 31 -6.977 -9.243 -3.020 1.00 43.34 H new ATOM 0 HB2 GLU A 31 -4.436 -10.798 -3.710 1.00 73.31 H new ATOM 0 HB3 GLU A 31 -5.960 -11.491 -3.190 1.00 73.31 H new ATOM 0 HG2 GLU A 31 -7.058 -10.784 -5.245 1.00 51.11 H new ATOM 0 HG3 GLU A 31 -5.644 -9.878 -5.746 1.00 51.11 H new ATOM 512 N GLU A 32 -4.023 -9.482 -1.501 1.00 53.03 N ATOM 513 CA GLU A 32 -3.375 -9.463 -0.182 1.00 33.35 C ATOM 514 C GLU A 32 -3.567 -8.109 0.521 1.00 71.41 C ATOM 515 O GLU A 32 -3.912 -8.059 1.703 1.00 22.41 O ATOM 516 CB GLU A 32 -1.873 -9.787 -0.305 1.00 52.32 C ATOM 517 CG GLU A 32 -1.581 -11.220 -0.752 1.00 4.34 C ATOM 518 CD GLU A 32 -0.097 -11.566 -0.711 1.00 1.35 C ATOM 519 OE1 GLU A 32 0.434 -11.800 0.398 1.00 14.24 O ATOM 520 OE2 GLU A 32 0.540 -11.625 -1.784 1.00 14.45 O ATOM 0 H GLU A 32 -3.385 -9.639 -2.281 1.00 53.03 H new ATOM 0 HA GLU A 32 -3.853 -10.231 0.426 1.00 33.35 H new ATOM 0 HB2 GLU A 32 -1.420 -9.096 -1.016 1.00 52.32 H new ATOM 0 HB3 GLU A 32 -1.394 -9.613 0.659 1.00 52.32 H new ATOM 0 HG2 GLU A 32 -2.128 -11.913 -0.112 1.00 4.34 H new ATOM 0 HG3 GLU A 32 -1.953 -11.361 -1.767 1.00 4.34 H new ATOM 527 N LEU A 33 -3.361 -7.018 -0.215 1.00 43.41 N ATOM 528 CA LEU A 33 -3.510 -5.668 0.346 1.00 41.13 C ATOM 529 C LEU A 33 -4.915 -5.453 0.936 1.00 42.01 C ATOM 530 O LEU A 33 -5.061 -4.945 2.048 1.00 14.02 O ATOM 531 CB LEU A 33 -3.218 -4.611 -0.730 1.00 52.44 C ATOM 532 CG LEU A 33 -1.797 -4.651 -1.316 1.00 54.20 C ATOM 533 CD1 LEU A 33 -1.632 -3.590 -2.399 1.00 72.12 C ATOM 534 CD2 LEU A 33 -0.749 -4.473 -0.214 1.00 41.43 C ATOM 0 H LEU A 33 -3.091 -7.038 -1.198 1.00 43.41 H new ATOM 0 HA LEU A 33 -2.789 -5.562 1.157 1.00 41.13 H new ATOM 0 HB2 LEU A 33 -3.933 -4.736 -1.543 1.00 52.44 H new ATOM 0 HB3 LEU A 33 -3.390 -3.623 -0.303 1.00 52.44 H new ATOM 0 HG LEU A 33 -1.644 -5.629 -1.772 1.00 54.20 H new ATOM 0 HD11 LEU A 33 -0.620 -3.635 -2.801 1.00 72.12 H new ATOM 0 HD12 LEU A 33 -2.349 -3.773 -3.200 1.00 72.12 H new ATOM 0 HD13 LEU A 33 -1.809 -2.603 -1.972 1.00 72.12 H new ATOM 0 HD21 LEU A 33 0.249 -4.505 -0.652 1.00 41.43 H new ATOM 0 HD22 LEU A 33 -0.899 -3.512 0.279 1.00 41.43 H new ATOM 0 HD23 LEU A 33 -0.850 -5.275 0.517 1.00 41.43 H new ATOM 546 N SER A 34 -5.944 -5.865 0.192 1.00 4.11 N ATOM 547 CA SER A 34 -7.339 -5.757 0.649 1.00 64.55 C ATOM 548 C SER A 34 -7.622 -6.697 1.826 1.00 63.44 C ATOM 549 O SER A 34 -8.574 -6.492 2.581 1.00 24.22 O ATOM 550 CB SER A 34 -8.312 -6.077 -0.498 1.00 32.13 C ATOM 551 OG SER A 34 -9.670 -6.013 -0.075 1.00 42.01 O ATOM 0 H SER A 34 -5.840 -6.279 -0.734 1.00 4.11 H new ATOM 0 HA SER A 34 -7.489 -4.729 0.980 1.00 64.55 H new ATOM 0 HB2 SER A 34 -8.153 -5.374 -1.316 1.00 32.13 H new ATOM 0 HB3 SER A 34 -8.099 -7.073 -0.887 1.00 32.13 H new ATOM 0 HG SER A 34 -10.249 -6.373 -0.779 1.00 42.01 H new ATOM 557 N TYR A 35 -6.803 -7.735 1.966 1.00 33.41 N ATOM 558 CA TYR A 35 -6.983 -8.726 3.031 1.00 22.22 C ATOM 559 C TYR A 35 -6.550 -8.166 4.399 1.00 72.43 C ATOM 560 O TYR A 35 -7.204 -8.412 5.414 1.00 73.21 O ATOM 561 CB TYR A 35 -6.198 -10.003 2.701 1.00 20.32 C ATOM 562 CG TYR A 35 -6.589 -11.204 3.541 1.00 73.33 C ATOM 563 CD1 TYR A 35 -7.842 -11.789 3.396 1.00 44.30 C ATOM 564 CD2 TYR A 35 -5.709 -11.759 4.468 1.00 15.44 C ATOM 565 CE1 TYR A 35 -8.208 -12.887 4.146 1.00 61.53 C ATOM 566 CE2 TYR A 35 -6.072 -12.858 5.222 1.00 2.43 C ATOM 567 CZ TYR A 35 -7.322 -13.418 5.057 1.00 5.15 C ATOM 568 OH TYR A 35 -7.684 -14.515 5.804 1.00 61.13 O ATOM 0 H TYR A 35 -6.006 -7.915 1.356 1.00 33.41 H new ATOM 0 HA TYR A 35 -8.044 -8.967 3.093 1.00 22.22 H new ATOM 0 HB2 TYR A 35 -6.345 -10.246 1.649 1.00 20.32 H new ATOM 0 HB3 TYR A 35 -5.134 -9.808 2.837 1.00 20.32 H new ATOM 0 HD1 TYR A 35 -8.541 -11.376 2.684 1.00 44.30 H new ATOM 0 HD2 TYR A 35 -4.729 -11.324 4.599 1.00 15.44 H new ATOM 0 HE1 TYR A 35 -9.185 -13.329 4.019 1.00 61.53 H new ATOM 0 HE2 TYR A 35 -5.380 -13.277 5.938 1.00 2.43 H new ATOM 0 HH TYR A 35 -6.945 -14.765 6.398 1.00 61.13 H new ATOM 578 N MET A 36 -5.437 -7.431 4.430 1.00 74.21 N ATOM 579 CA MET A 36 -4.990 -6.762 5.660 1.00 14.42 C ATOM 580 C MET A 36 -5.643 -5.376 5.819 1.00 21.22 C ATOM 581 O MET A 36 -6.172 -5.046 6.883 1.00 1.32 O ATOM 582 CB MET A 36 -3.459 -6.620 5.697 1.00 24.45 C ATOM 583 CG MET A 36 -2.711 -7.939 5.887 1.00 23.33 C ATOM 584 SD MET A 36 -2.614 -8.926 4.383 1.00 44.41 S ATOM 585 CE MET A 36 -1.432 -7.976 3.424 1.00 11.53 C ATOM 0 H MET A 36 -4.829 -7.282 3.624 1.00 74.21 H new ATOM 0 HA MET A 36 -5.304 -7.392 6.492 1.00 14.42 H new ATOM 0 HB2 MET A 36 -3.126 -6.157 4.768 1.00 24.45 H new ATOM 0 HB3 MET A 36 -3.188 -5.942 6.506 1.00 24.45 H new ATOM 0 HG2 MET A 36 -1.702 -7.729 6.241 1.00 23.33 H new ATOM 0 HG3 MET A 36 -3.207 -8.521 6.664 1.00 23.33 H new ATOM 0 HE1 MET A 36 -1.014 -8.604 2.637 1.00 11.53 H new ATOM 0 HE2 MET A 36 -1.933 -7.118 2.976 1.00 11.53 H new ATOM 0 HE3 MET A 36 -0.630 -7.628 4.076 1.00 11.53 H new ATOM 595 N VAL A 37 -5.594 -4.566 4.760 1.00 63.51 N ATOM 596 CA VAL A 37 -6.171 -3.214 4.784 1.00 50.53 C ATOM 597 C VAL A 37 -7.540 -3.184 4.074 1.00 22.41 C ATOM 598 O VAL A 37 -7.646 -2.841 2.893 1.00 14.44 O ATOM 599 CB VAL A 37 -5.213 -2.181 4.126 1.00 53.34 C ATOM 600 CG1 VAL A 37 -5.748 -0.758 4.278 1.00 50.20 C ATOM 601 CG2 VAL A 37 -3.804 -2.298 4.713 1.00 14.22 C ATOM 0 H VAL A 37 -5.161 -4.820 3.872 1.00 63.51 H new ATOM 0 HA VAL A 37 -6.312 -2.940 5.830 1.00 50.53 H new ATOM 0 HB VAL A 37 -5.159 -2.405 3.061 1.00 53.34 H new ATOM 0 HG11 VAL A 37 -5.057 -0.058 3.808 1.00 50.20 H new ATOM 0 HG12 VAL A 37 -6.724 -0.683 3.798 1.00 50.20 H new ATOM 0 HG13 VAL A 37 -5.845 -0.517 5.337 1.00 50.20 H new ATOM 0 HG21 VAL A 37 -3.150 -1.566 4.238 1.00 14.22 H new ATOM 0 HG22 VAL A 37 -3.840 -2.110 5.786 1.00 14.22 H new ATOM 0 HG23 VAL A 37 -3.417 -3.301 4.533 1.00 14.22 H new ATOM 611 N ASN A 38 -8.587 -3.550 4.806 1.00 71.52 N ATOM 612 CA ASN A 38 -9.940 -3.648 4.244 1.00 33.23 C ATOM 613 C ASN A 38 -10.646 -2.277 4.176 1.00 21.23 C ATOM 614 O ASN A 38 -11.732 -2.088 4.732 1.00 20.44 O ATOM 615 CB ASN A 38 -10.765 -4.654 5.058 1.00 72.35 C ATOM 616 CG ASN A 38 -10.723 -4.372 6.552 1.00 0.44 C ATOM 617 OD1 ASN A 38 -9.821 -4.817 7.257 1.00 75.02 O ATOM 618 ND2 ASN A 38 -11.697 -3.641 7.051 1.00 23.12 N ATOM 0 H ASN A 38 -8.529 -3.786 5.797 1.00 71.52 H new ATOM 0 HA ASN A 38 -9.853 -4.002 3.217 1.00 33.23 H new ATOM 0 HB2 ASN A 38 -11.800 -4.630 4.717 1.00 72.35 H new ATOM 0 HB3 ASN A 38 -10.391 -5.661 4.871 1.00 72.35 H new ATOM 0 HD21 ASN A 38 -11.717 -3.430 8.049 1.00 23.12 H new ATOM 0 HD22 ASN A 38 -12.432 -3.285 6.440 1.00 23.12 H new ATOM 625 N ILE A 39 -10.031 -1.327 3.472 1.00 34.34 N ATOM 626 CA ILE A 39 -10.608 0.015 3.304 1.00 4.44 C ATOM 627 C ILE A 39 -11.489 0.103 2.045 1.00 25.31 C ATOM 628 O ILE A 39 -11.377 -0.723 1.133 1.00 43.53 O ATOM 629 CB ILE A 39 -9.505 1.102 3.223 1.00 41.35 C ATOM 630 CG1 ILE A 39 -8.536 0.810 2.060 1.00 24.41 C ATOM 631 CG2 ILE A 39 -8.757 1.202 4.553 1.00 72.24 C ATOM 632 CD1 ILE A 39 -7.482 1.879 1.850 1.00 71.02 C ATOM 0 H ILE A 39 -9.133 -1.458 3.007 1.00 34.34 H new ATOM 0 HA ILE A 39 -11.226 0.195 4.184 1.00 4.44 H new ATOM 0 HB ILE A 39 -9.979 2.064 3.028 1.00 41.35 H new ATOM 0 HG12 ILE A 39 -8.040 -0.143 2.245 1.00 24.41 H new ATOM 0 HG13 ILE A 39 -9.112 0.697 1.141 1.00 24.41 H new ATOM 0 HG21 ILE A 39 -7.986 1.969 4.480 1.00 72.24 H new ATOM 0 HG22 ILE A 39 -9.457 1.466 5.345 1.00 72.24 H new ATOM 0 HG23 ILE A 39 -8.293 0.243 4.783 1.00 72.24 H new ATOM 0 HD11 ILE A 39 -6.841 1.599 1.014 1.00 71.02 H new ATOM 0 HD12 ILE A 39 -7.967 2.830 1.632 1.00 71.02 H new ATOM 0 HD13 ILE A 39 -6.879 1.978 2.753 1.00 71.02 H new ATOM 644 N ASN A 40 -12.354 1.117 1.996 1.00 72.43 N ATOM 645 CA ASN A 40 -13.262 1.314 0.857 1.00 35.32 C ATOM 646 C ASN A 40 -12.510 1.890 -0.362 1.00 33.30 C ATOM 647 O ASN A 40 -12.703 3.043 -0.753 1.00 54.31 O ATOM 648 CB ASN A 40 -14.434 2.226 1.264 1.00 23.13 C ATOM 649 CG ASN A 40 -15.530 2.292 0.212 1.00 50.25 C ATOM 650 OD1 ASN A 40 -15.531 3.158 -0.656 1.00 74.34 O ATOM 651 ND2 ASN A 40 -16.476 1.377 0.283 1.00 53.41 N ATOM 0 H ASN A 40 -12.448 1.818 2.731 1.00 72.43 H new ATOM 0 HA ASN A 40 -13.663 0.343 0.566 1.00 35.32 H new ATOM 0 HB2 ASN A 40 -14.859 1.866 2.201 1.00 23.13 H new ATOM 0 HB3 ASN A 40 -14.057 3.231 1.451 1.00 23.13 H new ATOM 0 HD21 ASN A 40 -17.237 1.376 -0.396 1.00 53.41 H new ATOM 0 HD22 ASN A 40 -16.447 0.669 1.017 1.00 53.41 H new ATOM 658 N CYS A 41 -11.625 1.072 -0.930 1.00 61.25 N ATOM 659 CA CYS A 41 -10.858 1.436 -2.134 1.00 63.34 C ATOM 660 C CYS A 41 -10.426 0.175 -2.893 1.00 24.43 C ATOM 661 O CYS A 41 -10.732 0.006 -4.068 1.00 34.25 O ATOM 662 CB CYS A 41 -9.617 2.268 -1.769 1.00 23.33 C ATOM 663 SG CYS A 41 -9.983 3.865 -1.007 1.00 0.14 S ATOM 0 H CYS A 41 -11.415 0.139 -0.574 1.00 61.25 H new ATOM 0 HA CYS A 41 -11.505 2.038 -2.772 1.00 63.34 H new ATOM 0 HB2 CYS A 41 -8.994 1.689 -1.087 1.00 23.33 H new ATOM 0 HB3 CYS A 41 -9.030 2.436 -2.672 1.00 23.33 H new ATOM 0 HG CYS A 41 -11.260 3.956 -0.782 1.00 0.14 H new ATOM 669 N PHE A 42 -9.724 -0.721 -2.200 1.00 70.21 N ATOM 670 CA PHE A 42 -9.304 -2.000 -2.793 1.00 35.11 C ATOM 671 C PHE A 42 -10.518 -2.895 -3.084 1.00 20.11 C ATOM 672 O PHE A 42 -10.477 -3.756 -3.961 1.00 42.34 O ATOM 673 CB PHE A 42 -8.331 -2.735 -1.857 1.00 62.24 C ATOM 674 CG PHE A 42 -7.155 -1.908 -1.392 1.00 50.44 C ATOM 675 CD1 PHE A 42 -6.639 -0.885 -2.176 1.00 63.14 C ATOM 676 CD2 PHE A 42 -6.566 -2.155 -0.157 1.00 64.20 C ATOM 677 CE1 PHE A 42 -5.564 -0.131 -1.743 1.00 4.43 C ATOM 678 CE2 PHE A 42 -5.491 -1.403 0.279 1.00 54.04 C ATOM 679 CZ PHE A 42 -4.990 -0.390 -0.514 1.00 63.21 C ATOM 0 H PHE A 42 -9.433 -0.590 -1.231 1.00 70.21 H new ATOM 0 HA PHE A 42 -8.798 -1.781 -3.733 1.00 35.11 H new ATOM 0 HB2 PHE A 42 -8.882 -3.082 -0.983 1.00 62.24 H new ATOM 0 HB3 PHE A 42 -7.955 -3.621 -2.369 1.00 62.24 H new ATOM 0 HD1 PHE A 42 -7.084 -0.675 -3.138 1.00 63.14 H new ATOM 0 HD2 PHE A 42 -6.953 -2.945 0.470 1.00 64.20 H new ATOM 0 HE1 PHE A 42 -5.173 0.660 -2.366 1.00 4.43 H new ATOM 0 HE2 PHE A 42 -5.043 -1.608 1.240 1.00 54.04 H new ATOM 0 HZ PHE A 42 -4.151 0.199 -0.174 1.00 63.21 H new ATOM 689 N LYS A 43 -11.597 -2.676 -2.332 1.00 53.33 N ATOM 690 CA LYS A 43 -12.824 -3.475 -2.465 1.00 33.23 C ATOM 691 C LYS A 43 -13.853 -2.806 -3.395 1.00 13.12 C ATOM 692 O LYS A 43 -14.960 -3.316 -3.578 1.00 31.33 O ATOM 693 CB LYS A 43 -13.440 -3.698 -1.077 1.00 74.32 C ATOM 694 CG LYS A 43 -12.474 -4.328 -0.077 1.00 31.33 C ATOM 695 CD LYS A 43 -13.138 -4.596 1.273 1.00 41.54 C ATOM 696 CE LYS A 43 -14.249 -5.635 1.166 1.00 40.31 C ATOM 697 NZ LYS A 43 -13.748 -6.944 0.667 1.00 0.21 N ATOM 0 H LYS A 43 -11.650 -1.948 -1.619 1.00 53.33 H new ATOM 0 HA LYS A 43 -12.554 -4.431 -2.914 1.00 33.23 H new ATOM 0 HB2 LYS A 43 -13.786 -2.742 -0.684 1.00 74.32 H new ATOM 0 HB3 LYS A 43 -14.317 -4.338 -1.176 1.00 74.32 H new ATOM 0 HG2 LYS A 43 -12.091 -5.264 -0.484 1.00 31.33 H new ATOM 0 HG3 LYS A 43 -11.618 -3.668 0.065 1.00 31.33 H new ATOM 0 HD2 LYS A 43 -12.387 -4.940 1.985 1.00 41.54 H new ATOM 0 HD3 LYS A 43 -13.548 -3.666 1.667 1.00 41.54 H new ATOM 0 HE2 LYS A 43 -14.710 -5.773 2.144 1.00 40.31 H new ATOM 0 HE3 LYS A 43 -15.026 -5.266 0.496 1.00 40.31 H new ATOM 0 HZ1 LYS A 43 -14.474 -7.673 0.816 1.00 0.21 H new ATOM 0 HZ2 LYS A 43 -13.535 -6.870 -0.348 1.00 0.21 H new ATOM 0 HZ3 LYS A 43 -12.884 -7.205 1.184 1.00 0.21 H new ATOM 711 N LYS A 44 -13.486 -1.660 -3.970 1.00 5.13 N ATOM 712 CA LYS A 44 -14.359 -0.931 -4.901 1.00 70.20 C ATOM 713 C LYS A 44 -13.545 0.085 -5.718 1.00 2.12 C ATOM 714 O LYS A 44 -13.038 1.064 -5.168 1.00 41.23 O ATOM 715 CB LYS A 44 -15.490 -0.215 -4.141 1.00 31.54 C ATOM 716 CG LYS A 44 -16.506 0.469 -5.057 1.00 32.31 C ATOM 717 CD LYS A 44 -17.652 1.110 -4.274 1.00 40.21 C ATOM 718 CE LYS A 44 -17.171 2.219 -3.340 1.00 2.14 C ATOM 719 NZ LYS A 44 -18.306 2.909 -2.671 1.00 14.20 N ATOM 0 H LYS A 44 -12.584 -1.211 -3.808 1.00 5.13 H new ATOM 0 HA LYS A 44 -14.805 -1.654 -5.584 1.00 70.20 H new ATOM 0 HB2 LYS A 44 -16.009 -0.939 -3.513 1.00 31.54 H new ATOM 0 HB3 LYS A 44 -15.054 0.530 -3.475 1.00 31.54 H new ATOM 0 HG2 LYS A 44 -16.002 1.232 -5.650 1.00 32.31 H new ATOM 0 HG3 LYS A 44 -16.911 -0.262 -5.757 1.00 32.31 H new ATOM 0 HD2 LYS A 44 -18.382 1.519 -4.973 1.00 40.21 H new ATOM 0 HD3 LYS A 44 -18.163 0.344 -3.691 1.00 40.21 H new ATOM 0 HE2 LYS A 44 -16.507 1.796 -2.586 1.00 2.14 H new ATOM 0 HE3 LYS A 44 -16.588 2.945 -3.907 1.00 2.14 H new ATOM 0 HZ1 LYS A 44 -17.939 3.655 -2.046 1.00 14.20 H new ATOM 0 HZ2 LYS A 44 -18.926 3.334 -3.390 1.00 14.20 H new ATOM 0 HZ3 LYS A 44 -18.848 2.222 -2.109 1.00 14.20 H new ATOM 733 N ASP A 45 -13.443 -0.154 -7.026 1.00 53.05 N ATOM 734 CA ASP A 45 -12.576 0.634 -7.914 1.00 61.41 C ATOM 735 C ASP A 45 -11.098 0.566 -7.458 1.00 42.22 C ATOM 736 O ASP A 45 -10.511 1.567 -7.030 1.00 62.13 O ATOM 737 CB ASP A 45 -13.063 2.091 -7.993 1.00 15.12 C ATOM 738 CG ASP A 45 -12.322 2.906 -9.042 1.00 42.45 C ATOM 739 OD1 ASP A 45 -12.370 2.528 -10.233 1.00 21.25 O ATOM 740 OD2 ASP A 45 -11.716 3.939 -8.696 1.00 55.03 O ATOM 0 H ASP A 45 -13.956 -0.896 -7.502 1.00 53.05 H new ATOM 0 HA ASP A 45 -12.633 0.201 -8.913 1.00 61.41 H new ATOM 0 HB2 ASP A 45 -14.129 2.101 -8.219 1.00 15.12 H new ATOM 0 HB3 ASP A 45 -12.939 2.564 -7.019 1.00 15.12 H new ATOM 745 N PRO A 46 -10.478 -0.633 -7.531 1.00 43.04 N ATOM 746 CA PRO A 46 -9.077 -0.821 -7.125 1.00 54.21 C ATOM 747 C PRO A 46 -8.100 -0.101 -8.070 1.00 64.40 C ATOM 748 O PRO A 46 -7.711 -0.630 -9.114 1.00 22.21 O ATOM 749 CB PRO A 46 -8.888 -2.345 -7.175 1.00 55.24 C ATOM 750 CG PRO A 46 -9.912 -2.821 -8.152 1.00 35.45 C ATOM 751 CD PRO A 46 -11.089 -1.890 -8.012 1.00 4.25 C ATOM 0 HA PRO A 46 -8.870 -0.399 -6.142 1.00 54.21 H new ATOM 0 HB2 PRO A 46 -7.881 -2.609 -7.497 1.00 55.24 H new ATOM 0 HB3 PRO A 46 -9.037 -2.795 -6.194 1.00 55.24 H new ATOM 0 HG2 PRO A 46 -9.519 -2.802 -9.169 1.00 35.45 H new ATOM 0 HG3 PRO A 46 -10.202 -3.850 -7.942 1.00 35.45 H new ATOM 0 HD2 PRO A 46 -11.604 -1.748 -8.962 1.00 4.25 H new ATOM 0 HD3 PRO A 46 -11.824 -2.275 -7.305 1.00 4.25 H new ATOM 759 N SER A 47 -7.737 1.124 -7.705 1.00 24.35 N ATOM 760 CA SER A 47 -6.835 1.945 -8.520 1.00 52.54 C ATOM 761 C SER A 47 -5.779 2.630 -7.642 1.00 72.20 C ATOM 762 O SER A 47 -6.044 2.961 -6.483 1.00 65.33 O ATOM 763 CB SER A 47 -7.637 3.009 -9.283 1.00 22.03 C ATOM 764 OG SER A 47 -8.752 2.443 -9.960 1.00 5.31 O ATOM 0 H SER A 47 -8.053 1.576 -6.847 1.00 24.35 H new ATOM 0 HA SER A 47 -6.329 1.292 -9.231 1.00 52.54 H new ATOM 0 HB2 SER A 47 -7.984 3.772 -8.586 1.00 22.03 H new ATOM 0 HB3 SER A 47 -6.988 3.506 -10.004 1.00 22.03 H new ATOM 0 HG SER A 47 -9.240 3.149 -10.433 1.00 5.31 H new ATOM 770 N ILE A 48 -4.588 2.855 -8.202 1.00 4.12 N ATOM 771 CA ILE A 48 -3.471 3.455 -7.456 1.00 3.23 C ATOM 772 C ILE A 48 -3.856 4.811 -6.836 1.00 41.14 C ATOM 773 O ILE A 48 -3.803 4.982 -5.618 1.00 73.11 O ATOM 774 CB ILE A 48 -2.222 3.642 -8.362 1.00 50.22 C ATOM 775 CG1 ILE A 48 -1.763 2.290 -8.939 1.00 61.13 C ATOM 776 CG2 ILE A 48 -1.083 4.319 -7.595 1.00 62.35 C ATOM 777 CD1 ILE A 48 -1.346 1.280 -7.888 1.00 21.12 C ATOM 0 H ILE A 48 -4.369 2.631 -9.173 1.00 4.12 H new ATOM 0 HA ILE A 48 -3.230 2.761 -6.651 1.00 3.23 H new ATOM 0 HB ILE A 48 -2.501 4.292 -9.191 1.00 50.22 H new ATOM 0 HG12 ILE A 48 -2.573 1.867 -9.534 1.00 61.13 H new ATOM 0 HG13 ILE A 48 -0.926 2.461 -9.616 1.00 61.13 H new ATOM 0 HG21 ILE A 48 -0.222 4.438 -8.252 1.00 62.35 H new ATOM 0 HG22 ILE A 48 -1.411 5.298 -7.246 1.00 62.35 H new ATOM 0 HG23 ILE A 48 -0.804 3.704 -6.739 1.00 62.35 H new ATOM 0 HD11 ILE A 48 -1.037 0.355 -8.375 1.00 21.12 H new ATOM 0 HD12 ILE A 48 -0.515 1.681 -7.308 1.00 21.12 H new ATOM 0 HD13 ILE A 48 -2.187 1.077 -7.224 1.00 21.12 H new ATOM 789 N LYS A 49 -4.268 5.767 -7.675 1.00 43.25 N ATOM 790 CA LYS A 49 -4.626 7.108 -7.189 1.00 55.23 C ATOM 791 C LYS A 49 -5.882 7.064 -6.305 1.00 3.53 C ATOM 792 O LYS A 49 -5.919 7.687 -5.242 1.00 1.04 O ATOM 793 CB LYS A 49 -4.836 8.095 -8.353 1.00 32.42 C ATOM 794 CG LYS A 49 -3.572 8.396 -9.163 1.00 20.11 C ATOM 795 CD LYS A 49 -3.252 7.298 -10.178 1.00 13.12 C ATOM 796 CE LYS A 49 -4.300 7.231 -11.286 1.00 73.15 C ATOM 797 NZ LYS A 49 -4.397 8.511 -12.039 1.00 71.44 N ATOM 0 H LYS A 49 -4.362 5.642 -8.683 1.00 43.25 H new ATOM 0 HA LYS A 49 -3.789 7.461 -6.587 1.00 55.23 H new ATOM 0 HB2 LYS A 49 -5.595 7.691 -9.023 1.00 32.42 H new ATOM 0 HB3 LYS A 49 -5.228 9.030 -7.954 1.00 32.42 H new ATOM 0 HG2 LYS A 49 -3.696 9.344 -9.686 1.00 20.11 H new ATOM 0 HG3 LYS A 49 -2.728 8.515 -8.483 1.00 20.11 H new ATOM 0 HD2 LYS A 49 -2.271 7.482 -10.616 1.00 13.12 H new ATOM 0 HD3 LYS A 49 -3.199 6.336 -9.669 1.00 13.12 H new ATOM 0 HE2 LYS A 49 -4.049 6.424 -11.974 1.00 73.15 H new ATOM 0 HE3 LYS A 49 -5.271 6.991 -10.853 1.00 73.15 H new ATOM 0 HZ1 LYS A 49 -4.904 8.350 -12.933 1.00 71.44 H new ATOM 0 HZ2 LYS A 49 -4.913 9.211 -11.469 1.00 71.44 H new ATOM 0 HZ3 LYS A 49 -3.441 8.867 -12.242 1.00 71.44 H new ATOM 811 N SER A 50 -6.904 6.325 -6.742 1.00 71.42 N ATOM 812 CA SER A 50 -8.147 6.163 -5.961 1.00 72.53 C ATOM 813 C SER A 50 -7.850 5.754 -4.513 1.00 42.13 C ATOM 814 O SER A 50 -8.544 6.166 -3.579 1.00 12.35 O ATOM 815 CB SER A 50 -9.058 5.113 -6.611 1.00 11.15 C ATOM 816 OG SER A 50 -9.317 5.431 -7.971 1.00 61.12 O ATOM 0 H SER A 50 -6.902 5.826 -7.632 1.00 71.42 H new ATOM 0 HA SER A 50 -8.654 7.128 -5.952 1.00 72.53 H new ATOM 0 HB2 SER A 50 -8.589 4.131 -6.547 1.00 11.15 H new ATOM 0 HB3 SER A 50 -9.998 5.054 -6.063 1.00 11.15 H new ATOM 0 HG SER A 50 -10.109 4.941 -8.277 1.00 61.12 H new ATOM 822 N SER A 51 -6.812 4.939 -4.341 1.00 3.40 N ATOM 823 CA SER A 51 -6.341 4.545 -3.008 1.00 44.11 C ATOM 824 C SER A 51 -5.682 5.728 -2.282 1.00 33.43 C ATOM 825 O SER A 51 -5.989 6.007 -1.123 1.00 41.43 O ATOM 826 CB SER A 51 -5.339 3.383 -3.113 1.00 32.50 C ATOM 827 OG SER A 51 -4.876 2.982 -1.835 1.00 24.32 O ATOM 0 H SER A 51 -6.276 4.535 -5.109 1.00 3.40 H new ATOM 0 HA SER A 51 -7.208 4.222 -2.432 1.00 44.11 H new ATOM 0 HB2 SER A 51 -5.812 2.537 -3.612 1.00 32.50 H new ATOM 0 HB3 SER A 51 -4.493 3.685 -3.730 1.00 32.50 H new ATOM 0 HG SER A 51 -4.129 2.356 -1.939 1.00 24.32 H new ATOM 833 N LEU A 52 -4.790 6.435 -2.983 1.00 22.30 N ATOM 834 CA LEU A 52 -4.072 7.588 -2.411 1.00 70.25 C ATOM 835 C LEU A 52 -5.040 8.640 -1.833 1.00 41.24 C ATOM 836 O LEU A 52 -4.802 9.185 -0.752 1.00 10.11 O ATOM 837 CB LEU A 52 -3.169 8.235 -3.475 1.00 52.04 C ATOM 838 CG LEU A 52 -2.084 7.317 -4.067 1.00 61.10 C ATOM 839 CD1 LEU A 52 -1.269 8.053 -5.127 1.00 64.13 C ATOM 840 CD2 LEU A 52 -1.173 6.768 -2.968 1.00 11.40 C ATOM 0 H LEU A 52 -4.544 6.231 -3.952 1.00 22.30 H new ATOM 0 HA LEU A 52 -3.458 7.215 -1.591 1.00 70.25 H new ATOM 0 HB2 LEU A 52 -3.797 8.598 -4.288 1.00 52.04 H new ATOM 0 HB3 LEU A 52 -2.683 9.106 -3.034 1.00 52.04 H new ATOM 0 HG LEU A 52 -2.582 6.474 -4.546 1.00 61.10 H new ATOM 0 HD11 LEU A 52 -0.509 7.384 -5.531 1.00 64.13 H new ATOM 0 HD12 LEU A 52 -1.928 8.380 -5.931 1.00 64.13 H new ATOM 0 HD13 LEU A 52 -0.787 8.921 -4.677 1.00 64.13 H new ATOM 0 HD21 LEU A 52 -0.415 6.123 -3.412 1.00 11.40 H new ATOM 0 HD22 LEU A 52 -0.687 7.596 -2.451 1.00 11.40 H new ATOM 0 HD23 LEU A 52 -1.767 6.194 -2.256 1.00 11.40 H new ATOM 852 N LYS A 53 -6.133 8.911 -2.551 1.00 14.55 N ATOM 853 CA LYS A 53 -7.156 9.865 -2.087 1.00 21.11 C ATOM 854 C LYS A 53 -7.731 9.465 -0.715 1.00 44.13 C ATOM 855 O LYS A 53 -8.173 10.319 0.055 1.00 55.33 O ATOM 856 CB LYS A 53 -8.303 9.986 -3.112 1.00 51.22 C ATOM 857 CG LYS A 53 -8.034 10.936 -4.280 1.00 43.43 C ATOM 858 CD LYS A 53 -6.846 10.499 -5.131 1.00 42.21 C ATOM 859 CE LYS A 53 -6.756 11.285 -6.437 1.00 44.22 C ATOM 860 NZ LYS A 53 -7.946 11.057 -7.302 1.00 52.13 N ATOM 0 H LYS A 53 -6.337 8.486 -3.456 1.00 14.55 H new ATOM 0 HA LYS A 53 -6.663 10.832 -1.984 1.00 21.11 H new ATOM 0 HB2 LYS A 53 -8.517 8.995 -3.512 1.00 51.22 H new ATOM 0 HB3 LYS A 53 -9.200 10.320 -2.592 1.00 51.22 H new ATOM 0 HG2 LYS A 53 -8.923 10.995 -4.907 1.00 43.43 H new ATOM 0 HG3 LYS A 53 -7.850 11.938 -3.893 1.00 43.43 H new ATOM 0 HD2 LYS A 53 -5.925 10.633 -4.563 1.00 42.21 H new ATOM 0 HD3 LYS A 53 -6.932 9.435 -5.353 1.00 42.21 H new ATOM 0 HE2 LYS A 53 -6.666 12.348 -6.216 1.00 44.22 H new ATOM 0 HE3 LYS A 53 -5.854 10.994 -6.975 1.00 44.22 H new ATOM 0 HZ1 LYS A 53 -7.716 11.312 -8.284 1.00 52.13 H new ATOM 0 HZ2 LYS A 53 -8.219 10.054 -7.259 1.00 52.13 H new ATOM 0 HZ3 LYS A 53 -8.736 11.646 -6.968 1.00 52.13 H new ATOM 874 N PHE A 54 -7.718 8.168 -0.413 1.00 75.31 N ATOM 875 CA PHE A 54 -8.245 7.664 0.859 1.00 31.40 C ATOM 876 C PHE A 54 -7.133 7.547 1.918 1.00 44.53 C ATOM 877 O PHE A 54 -7.339 7.875 3.087 1.00 30.22 O ATOM 878 CB PHE A 54 -8.914 6.301 0.634 1.00 43.15 C ATOM 879 CG PHE A 54 -9.813 5.859 1.764 1.00 51.42 C ATOM 880 CD1 PHE A 54 -11.130 6.294 1.826 1.00 75.14 C ATOM 881 CD2 PHE A 54 -9.348 5.008 2.758 1.00 30.54 C ATOM 882 CE1 PHE A 54 -11.962 5.890 2.854 1.00 55.14 C ATOM 883 CE2 PHE A 54 -10.176 4.602 3.788 1.00 63.32 C ATOM 884 CZ PHE A 54 -11.485 5.044 3.835 1.00 23.25 C ATOM 0 H PHE A 54 -7.349 7.445 -1.030 1.00 75.31 H new ATOM 0 HA PHE A 54 -8.983 8.373 1.232 1.00 31.40 H new ATOM 0 HB2 PHE A 54 -9.498 6.343 -0.285 1.00 43.15 H new ATOM 0 HB3 PHE A 54 -8.139 5.549 0.485 1.00 43.15 H new ATOM 0 HD1 PHE A 54 -11.509 6.956 1.062 1.00 75.14 H new ATOM 0 HD2 PHE A 54 -8.326 4.659 2.726 1.00 30.54 H new ATOM 0 HE1 PHE A 54 -12.984 6.236 2.889 1.00 55.14 H new ATOM 0 HE2 PHE A 54 -9.801 3.940 4.555 1.00 63.32 H new ATOM 0 HZ PHE A 54 -12.134 4.728 4.638 1.00 23.25 H new ATOM 894 N LEU A 55 -5.953 7.086 1.498 1.00 62.24 N ATOM 895 CA LEU A 55 -4.803 6.922 2.402 1.00 11.05 C ATOM 896 C LEU A 55 -4.354 8.260 3.017 1.00 2.43 C ATOM 897 O LEU A 55 -3.933 8.311 4.172 1.00 34.23 O ATOM 898 CB LEU A 55 -3.625 6.275 1.653 1.00 42.42 C ATOM 899 CG LEU A 55 -3.876 4.848 1.132 1.00 63.42 C ATOM 900 CD1 LEU A 55 -2.655 4.328 0.374 1.00 34.32 C ATOM 901 CD2 LEU A 55 -4.240 3.911 2.284 1.00 15.50 C ATOM 0 H LEU A 55 -5.764 6.817 0.532 1.00 62.24 H new ATOM 0 HA LEU A 55 -5.123 6.272 3.216 1.00 11.05 H new ATOM 0 HB2 LEU A 55 -3.361 6.911 0.808 1.00 42.42 H new ATOM 0 HB3 LEU A 55 -2.762 6.254 2.318 1.00 42.42 H new ATOM 0 HG LEU A 55 -4.717 4.879 0.440 1.00 63.42 H new ATOM 0 HD11 LEU A 55 -2.853 3.318 0.014 1.00 34.32 H new ATOM 0 HD12 LEU A 55 -2.448 4.981 -0.474 1.00 34.32 H new ATOM 0 HD13 LEU A 55 -1.792 4.313 1.040 1.00 34.32 H new ATOM 0 HD21 LEU A 55 -4.414 2.907 1.896 1.00 15.50 H new ATOM 0 HD22 LEU A 55 -3.422 3.885 3.004 1.00 15.50 H new ATOM 0 HD23 LEU A 55 -5.144 4.272 2.775 1.00 15.50 H new ATOM 913 N ARG A 56 -4.443 9.337 2.235 1.00 44.13 N ATOM 914 CA ARG A 56 -4.065 10.678 2.709 1.00 22.53 C ATOM 915 C ARG A 56 -4.899 11.107 3.933 1.00 12.31 C ATOM 916 O ARG A 56 -4.375 11.685 4.884 1.00 53.02 O ATOM 917 CB ARG A 56 -4.231 11.704 1.576 1.00 42.00 C ATOM 918 CG ARG A 56 -5.670 11.863 1.094 1.00 61.22 C ATOM 919 CD ARG A 56 -5.795 12.868 -0.042 1.00 54.11 C ATOM 920 NE ARG A 56 -7.177 12.989 -0.505 1.00 72.21 N ATOM 921 CZ ARG A 56 -7.554 13.764 -1.485 1.00 21.12 C ATOM 922 NH1 ARG A 56 -6.686 14.471 -2.130 1.00 32.54 N ATOM 923 NH2 ARG A 56 -8.798 13.825 -1.822 1.00 50.41 N ATOM 0 H ARG A 56 -4.773 9.311 1.270 1.00 44.13 H new ATOM 0 HA ARG A 56 -3.020 10.638 3.015 1.00 22.53 H new ATOM 0 HB2 ARG A 56 -3.863 12.671 1.918 1.00 42.00 H new ATOM 0 HB3 ARG A 56 -3.607 11.405 0.734 1.00 42.00 H new ATOM 0 HG2 ARG A 56 -6.048 10.896 0.763 1.00 61.22 H new ATOM 0 HG3 ARG A 56 -6.296 12.181 1.927 1.00 61.22 H new ATOM 0 HD2 ARG A 56 -5.436 13.842 0.292 1.00 54.11 H new ATOM 0 HD3 ARG A 56 -5.158 12.561 -0.872 1.00 54.11 H new ATOM 0 HE ARG A 56 -7.890 12.433 -0.033 1.00 72.21 H new ATOM 0 HH11 ARG A 56 -5.700 14.425 -1.874 1.00 32.54 H new ATOM 0 HH12 ARG A 56 -6.987 15.075 -2.895 1.00 32.54 H new ATOM 0 HH21 ARG A 56 -9.490 13.267 -1.322 1.00 50.41 H new ATOM 0 HH22 ARG A 56 -9.090 14.432 -2.588 1.00 50.41 H new ATOM 937 N LYS A 57 -6.199 10.813 3.900 1.00 44.41 N ATOM 938 CA LYS A 57 -7.107 11.174 4.999 1.00 1.01 C ATOM 939 C LYS A 57 -7.176 10.060 6.056 1.00 12.40 C ATOM 940 O LYS A 57 -7.536 10.307 7.207 1.00 54.45 O ATOM 941 CB LYS A 57 -8.514 11.471 4.454 1.00 45.11 C ATOM 942 CG LYS A 57 -9.155 10.300 3.711 1.00 33.21 C ATOM 943 CD LYS A 57 -10.545 10.639 3.162 1.00 31.01 C ATOM 944 CE LYS A 57 -11.614 10.740 4.255 1.00 23.22 C ATOM 945 NZ LYS A 57 -11.442 11.927 5.138 1.00 15.22 N ATOM 0 H LYS A 57 -6.651 10.326 3.126 1.00 44.41 H new ATOM 0 HA LYS A 57 -6.712 12.071 5.477 1.00 1.01 H new ATOM 0 HB2 LYS A 57 -9.160 11.758 5.283 1.00 45.11 H new ATOM 0 HB3 LYS A 57 -8.458 12.327 3.782 1.00 45.11 H new ATOM 0 HG2 LYS A 57 -8.507 9.999 2.888 1.00 33.21 H new ATOM 0 HG3 LYS A 57 -9.233 9.446 4.384 1.00 33.21 H new ATOM 0 HD2 LYS A 57 -10.495 11.585 2.622 1.00 31.01 H new ATOM 0 HD3 LYS A 57 -10.841 9.876 2.442 1.00 31.01 H new ATOM 0 HE2 LYS A 57 -12.598 10.782 3.788 1.00 23.22 H new ATOM 0 HE3 LYS A 57 -11.588 9.836 4.864 1.00 23.22 H new ATOM 0 HZ1 LYS A 57 -12.373 12.341 5.349 1.00 15.22 H new ATOM 0 HZ2 LYS A 57 -10.983 11.636 6.025 1.00 15.22 H new ATOM 0 HZ3 LYS A 57 -10.850 12.634 4.658 1.00 15.22 H new ATOM 959 N THR A 58 -6.829 8.839 5.652 1.00 62.44 N ATOM 960 CA THR A 58 -6.840 7.680 6.556 1.00 42.32 C ATOM 961 C THR A 58 -5.407 7.266 6.922 1.00 42.41 C ATOM 962 O THR A 58 -4.810 6.395 6.286 1.00 32.30 O ATOM 963 CB THR A 58 -7.578 6.475 5.924 1.00 45.33 C ATOM 964 OG1 THR A 58 -8.859 6.890 5.427 1.00 21.31 O ATOM 965 CG2 THR A 58 -7.769 5.356 6.940 1.00 21.04 C ATOM 0 H THR A 58 -6.535 8.622 4.700 1.00 62.44 H new ATOM 0 HA THR A 58 -7.373 7.978 7.459 1.00 42.32 H new ATOM 0 HB THR A 58 -6.968 6.100 5.102 1.00 45.33 H new ATOM 0 HG1 THR A 58 -9.219 6.199 4.833 1.00 21.31 H new ATOM 0 HG21 THR A 58 -8.290 4.522 6.469 1.00 21.04 H new ATOM 0 HG22 THR A 58 -6.796 5.020 7.298 1.00 21.04 H new ATOM 0 HG23 THR A 58 -8.358 5.724 7.780 1.00 21.04 H new ATOM 973 N ASP A 59 -4.863 7.902 7.954 1.00 12.02 N ATOM 974 CA ASP A 59 -3.450 7.745 8.313 1.00 44.11 C ATOM 975 C ASP A 59 -3.113 6.313 8.772 1.00 45.14 C ATOM 976 O ASP A 59 -2.118 5.730 8.330 1.00 64.30 O ATOM 977 CB ASP A 59 -3.084 8.762 9.397 1.00 70.41 C ATOM 978 CG ASP A 59 -1.585 8.900 9.574 1.00 25.35 C ATOM 979 OD1 ASP A 59 -0.930 9.436 8.654 1.00 42.44 O ATOM 980 OD2 ASP A 59 -1.060 8.495 10.629 1.00 1.13 O ATOM 0 H ASP A 59 -5.380 8.536 8.563 1.00 12.02 H new ATOM 0 HA ASP A 59 -2.855 7.930 7.418 1.00 44.11 H new ATOM 0 HB2 ASP A 59 -3.508 9.733 9.139 1.00 70.41 H new ATOM 0 HB3 ASP A 59 -3.533 8.459 10.343 1.00 70.41 H new ATOM 985 N TRP A 60 -3.951 5.740 9.639 1.00 65.34 N ATOM 986 CA TRP A 60 -3.712 4.383 10.156 1.00 54.31 C ATOM 987 C TRP A 60 -3.598 3.348 9.023 1.00 23.33 C ATOM 988 O TRP A 60 -2.850 2.374 9.128 1.00 60.50 O ATOM 989 CB TRP A 60 -4.808 3.971 11.160 1.00 63.45 C ATOM 990 CG TRP A 60 -6.213 3.970 10.611 1.00 40.11 C ATOM 991 CD1 TRP A 60 -7.129 4.981 10.700 1.00 23.30 C ATOM 992 CD2 TRP A 60 -6.868 2.898 9.912 1.00 62.33 C ATOM 993 NE1 TRP A 60 -8.304 4.607 10.095 1.00 44.42 N ATOM 994 CE2 TRP A 60 -8.168 3.337 9.600 1.00 5.35 C ATOM 995 CE3 TRP A 60 -6.477 1.615 9.510 1.00 71.12 C ATOM 996 CZ2 TRP A 60 -9.081 2.538 8.913 1.00 4.24 C ATOM 997 CZ3 TRP A 60 -7.383 0.825 8.826 1.00 11.24 C ATOM 998 CH2 TRP A 60 -8.673 1.288 8.533 1.00 65.11 C ATOM 0 H TRP A 60 -4.795 6.187 9.998 1.00 65.34 H new ATOM 0 HA TRP A 60 -2.756 4.404 10.679 1.00 54.31 H new ATOM 0 HB2 TRP A 60 -4.580 2.973 11.533 1.00 63.45 H new ATOM 0 HB3 TRP A 60 -4.769 4.647 12.014 1.00 63.45 H new ATOM 0 HD1 TRP A 60 -6.954 5.934 11.176 1.00 23.30 H new ATOM 0 HE1 TRP A 60 -9.143 5.183 10.025 1.00 44.42 H new ATOM 0 HE3 TRP A 60 -5.485 1.249 9.730 1.00 71.12 H new ATOM 0 HZ2 TRP A 60 -10.076 2.893 8.688 1.00 4.24 H new ATOM 0 HZ3 TRP A 60 -7.091 -0.166 8.512 1.00 11.24 H new ATOM 0 HH2 TRP A 60 -9.358 0.647 7.998 1.00 65.11 H new ATOM 1009 N ALA A 61 -4.337 3.570 7.934 1.00 43.41 N ATOM 1010 CA ALA A 61 -4.250 2.706 6.753 1.00 64.05 C ATOM 1011 C ALA A 61 -2.886 2.854 6.068 1.00 63.41 C ATOM 1012 O ALA A 61 -2.255 1.864 5.701 1.00 4.24 O ATOM 1013 CB ALA A 61 -5.375 3.021 5.773 1.00 43.22 C ATOM 0 H ALA A 61 -5.001 4.339 7.845 1.00 43.41 H new ATOM 0 HA ALA A 61 -4.357 1.672 7.082 1.00 64.05 H new ATOM 0 HB1 ALA A 61 -5.293 2.369 4.903 1.00 43.22 H new ATOM 0 HB2 ALA A 61 -6.337 2.858 6.259 1.00 43.22 H new ATOM 0 HB3 ALA A 61 -5.300 4.061 5.455 1.00 43.22 H new ATOM 1019 N ARG A 62 -2.436 4.100 5.908 1.00 34.14 N ATOM 1020 CA ARG A 62 -1.127 4.379 5.314 1.00 21.35 C ATOM 1021 C ARG A 62 -0.002 3.675 6.089 1.00 71.31 C ATOM 1022 O ARG A 62 0.836 2.993 5.496 1.00 61.52 O ATOM 1023 CB ARG A 62 -0.856 5.889 5.275 1.00 60.34 C ATOM 1024 CG ARG A 62 0.531 6.237 4.736 1.00 24.30 C ATOM 1025 CD ARG A 62 0.850 7.722 4.862 1.00 53.50 C ATOM 1026 NE ARG A 62 2.239 8.012 4.508 1.00 22.44 N ATOM 1027 CZ ARG A 62 2.861 9.117 4.816 1.00 40.52 C ATOM 1028 NH1 ARG A 62 2.259 10.058 5.467 1.00 24.45 N ATOM 1029 NH2 ARG A 62 4.095 9.277 4.471 1.00 33.43 N ATOM 0 H ARG A 62 -2.959 4.932 6.181 1.00 34.14 H new ATOM 0 HA ARG A 62 -1.144 3.993 4.295 1.00 21.35 H new ATOM 0 HB2 ARG A 62 -1.611 6.371 4.655 1.00 60.34 H new ATOM 0 HB3 ARG A 62 -0.961 6.297 6.280 1.00 60.34 H new ATOM 0 HG2 ARG A 62 1.282 5.660 5.276 1.00 24.30 H new ATOM 0 HG3 ARG A 62 0.595 5.943 3.688 1.00 24.30 H new ATOM 0 HD2 ARG A 62 0.184 8.293 4.215 1.00 53.50 H new ATOM 0 HD3 ARG A 62 0.660 8.049 5.884 1.00 53.50 H new ATOM 0 HE ARG A 62 2.755 7.304 3.986 1.00 22.44 H new ATOM 0 HH11 ARG A 62 1.285 9.942 5.747 1.00 24.45 H new ATOM 0 HH12 ARG A 62 2.758 10.916 5.701 1.00 24.45 H new ATOM 0 HH21 ARG A 62 4.581 8.541 3.959 1.00 33.43 H new ATOM 0 HH22 ARG A 62 4.584 10.140 4.710 1.00 33.43 H new ATOM 1043 N GLU A 63 0.001 3.842 7.414 1.00 13.33 N ATOM 1044 CA GLU A 63 1.019 3.221 8.277 1.00 52.14 C ATOM 1045 C GLU A 63 1.152 1.717 7.995 1.00 23.03 C ATOM 1046 O GLU A 63 2.259 1.200 7.818 1.00 1.02 O ATOM 1047 CB GLU A 63 0.669 3.417 9.759 1.00 65.25 C ATOM 1048 CG GLU A 63 0.512 4.872 10.185 1.00 12.52 C ATOM 1049 CD GLU A 63 0.328 5.021 11.690 1.00 11.32 C ATOM 1050 OE1 GLU A 63 -0.789 4.770 12.189 1.00 32.32 O ATOM 1051 OE2 GLU A 63 1.314 5.365 12.382 1.00 42.43 O ATOM 0 H GLU A 63 -0.689 4.401 7.916 1.00 13.33 H new ATOM 0 HA GLU A 63 1.967 3.710 8.055 1.00 52.14 H new ATOM 0 HB2 GLU A 63 -0.259 2.887 9.973 1.00 65.25 H new ATOM 0 HB3 GLU A 63 1.447 2.956 10.367 1.00 65.25 H new ATOM 0 HG2 GLU A 63 1.391 5.436 9.872 1.00 12.52 H new ATOM 0 HG3 GLU A 63 -0.346 5.307 9.672 1.00 12.52 H new ATOM 1058 N ARG A 64 0.018 1.018 7.963 1.00 31.01 N ATOM 1059 CA ARG A 64 0.007 -0.422 7.695 1.00 22.53 C ATOM 1060 C ARG A 64 0.560 -0.737 6.296 1.00 70.23 C ATOM 1061 O ARG A 64 1.433 -1.589 6.146 1.00 13.14 O ATOM 1062 CB ARG A 64 -1.412 -0.989 7.843 1.00 65.05 C ATOM 1063 CG ARG A 64 -2.004 -0.831 9.246 1.00 20.23 C ATOM 1064 CD ARG A 64 -3.301 -1.623 9.404 1.00 65.01 C ATOM 1065 NE ARG A 64 -3.094 -3.049 9.145 1.00 14.13 N ATOM 1066 CZ ARG A 64 -4.046 -3.939 9.080 1.00 44.10 C ATOM 1067 NH1 ARG A 64 -5.281 -3.620 9.302 1.00 74.14 N ATOM 1068 NH2 ARG A 64 -3.744 -5.168 8.813 1.00 63.12 N ATOM 0 H ARG A 64 -0.905 1.424 8.119 1.00 31.01 H new ATOM 0 HA ARG A 64 0.656 -0.898 8.430 1.00 22.53 H new ATOM 0 HB2 ARG A 64 -2.067 -0.493 7.126 1.00 65.05 H new ATOM 0 HB3 ARG A 64 -1.398 -2.047 7.583 1.00 65.05 H new ATOM 0 HG2 ARG A 64 -1.279 -1.168 9.987 1.00 20.23 H new ATOM 0 HG3 ARG A 64 -2.195 0.224 9.444 1.00 20.23 H new ATOM 0 HD2 ARG A 64 -3.690 -1.488 10.413 1.00 65.01 H new ATOM 0 HD3 ARG A 64 -4.053 -1.233 8.718 1.00 65.01 H new ATOM 0 HE ARG A 64 -2.136 -3.370 9.005 1.00 14.13 H new ATOM 0 HH11 ARG A 64 -5.525 -2.657 9.533 1.00 74.14 H new ATOM 0 HH12 ARG A 64 -6.010 -4.332 9.246 1.00 74.14 H new ATOM 0 HH21 ARG A 64 -2.771 -5.432 8.656 1.00 63.12 H new ATOM 0 HH22 ARG A 64 -4.479 -5.874 8.759 1.00 63.12 H new ATOM 1082 N VAL A 65 0.055 -0.034 5.280 1.00 15.42 N ATOM 1083 CA VAL A 65 0.511 -0.229 3.894 1.00 42.14 C ATOM 1084 C VAL A 65 2.039 -0.066 3.770 1.00 25.44 C ATOM 1085 O VAL A 65 2.722 -0.916 3.189 1.00 71.11 O ATOM 1086 CB VAL A 65 -0.197 0.761 2.927 1.00 35.12 C ATOM 1087 CG1 VAL A 65 0.349 0.634 1.504 1.00 15.41 C ATOM 1088 CG2 VAL A 65 -1.710 0.534 2.941 1.00 73.14 C ATOM 0 H VAL A 65 -0.670 0.676 5.387 1.00 15.42 H new ATOM 0 HA VAL A 65 0.248 -1.249 3.615 1.00 42.14 H new ATOM 0 HB VAL A 65 0.009 1.773 3.276 1.00 35.12 H new ATOM 0 HG11 VAL A 65 -0.166 1.339 0.852 1.00 15.41 H new ATOM 0 HG12 VAL A 65 1.417 0.853 1.503 1.00 15.41 H new ATOM 0 HG13 VAL A 65 0.186 -0.381 1.141 1.00 15.41 H new ATOM 0 HG21 VAL A 65 -2.190 1.236 2.258 1.00 73.14 H new ATOM 0 HG22 VAL A 65 -1.928 -0.486 2.625 1.00 73.14 H new ATOM 0 HG23 VAL A 65 -2.092 0.691 3.950 1.00 73.14 H new ATOM 1098 N GLU A 66 2.570 1.017 4.333 1.00 35.21 N ATOM 1099 CA GLU A 66 4.011 1.287 4.286 1.00 20.45 C ATOM 1100 C GLU A 66 4.810 0.228 5.068 1.00 14.10 C ATOM 1101 O GLU A 66 5.870 -0.220 4.623 1.00 33.01 O ATOM 1102 CB GLU A 66 4.303 2.699 4.820 1.00 64.45 C ATOM 1103 CG GLU A 66 3.576 3.805 4.046 1.00 22.34 C ATOM 1104 CD GLU A 66 3.952 5.210 4.495 1.00 53.22 C ATOM 1105 OE1 GLU A 66 3.890 5.492 5.710 1.00 22.33 O ATOM 1106 OE2 GLU A 66 4.285 6.053 3.629 1.00 51.01 O ATOM 0 H GLU A 66 2.026 1.724 4.828 1.00 35.21 H new ATOM 0 HA GLU A 66 4.332 1.232 3.246 1.00 20.45 H new ATOM 0 HB2 GLU A 66 4.013 2.750 5.870 1.00 64.45 H new ATOM 0 HB3 GLU A 66 5.377 2.881 4.777 1.00 64.45 H new ATOM 0 HG2 GLU A 66 3.798 3.700 2.984 1.00 22.34 H new ATOM 0 HG3 GLU A 66 2.500 3.671 4.161 1.00 22.34 H new ATOM 1113 N ASN A 67 4.283 -0.189 6.221 1.00 74.22 N ATOM 1114 CA ASN A 67 4.922 -1.235 7.035 1.00 11.24 C ATOM 1115 C ASN A 67 4.973 -2.579 6.284 1.00 64.31 C ATOM 1116 O ASN A 67 5.952 -3.324 6.385 1.00 62.23 O ATOM 1117 CB ASN A 67 4.184 -1.394 8.371 1.00 42.23 C ATOM 1118 CG ASN A 67 4.836 -2.425 9.278 1.00 23.44 C ATOM 1119 OD1 ASN A 67 5.739 -2.111 10.048 1.00 54.13 O ATOM 1120 ND2 ASN A 67 4.379 -3.657 9.210 1.00 52.22 N ATOM 0 H ASN A 67 3.417 0.179 6.615 1.00 74.22 H new ATOM 0 HA ASN A 67 5.948 -0.926 7.233 1.00 11.24 H new ATOM 0 HB2 ASN A 67 4.154 -0.432 8.883 1.00 42.23 H new ATOM 0 HB3 ASN A 67 3.151 -1.685 8.179 1.00 42.23 H new ATOM 0 HD21 ASN A 67 4.776 -4.382 9.807 1.00 52.22 H new ATOM 0 HD22 ASN A 67 3.627 -3.887 8.560 1.00 52.22 H new ATOM 1127 N ILE A 68 3.916 -2.882 5.527 1.00 65.21 N ATOM 1128 CA ILE A 68 3.884 -4.085 4.687 1.00 51.31 C ATOM 1129 C ILE A 68 4.993 -4.041 3.625 1.00 24.40 C ATOM 1130 O ILE A 68 5.646 -5.049 3.350 1.00 61.32 O ATOM 1131 CB ILE A 68 2.505 -4.261 3.996 1.00 0.34 C ATOM 1132 CG1 ILE A 68 1.405 -4.469 5.052 1.00 52.32 C ATOM 1133 CG2 ILE A 68 2.530 -5.431 3.011 1.00 73.42 C ATOM 1134 CD1 ILE A 68 0.004 -4.562 4.479 1.00 32.50 C ATOM 0 H ILE A 68 3.071 -2.313 5.477 1.00 65.21 H new ATOM 0 HA ILE A 68 4.052 -4.939 5.343 1.00 51.31 H new ATOM 0 HB ILE A 68 2.286 -3.353 3.434 1.00 0.34 H new ATOM 0 HG12 ILE A 68 1.619 -5.381 5.609 1.00 52.32 H new ATOM 0 HG13 ILE A 68 1.440 -3.645 5.765 1.00 52.32 H new ATOM 0 HG21 ILE A 68 1.552 -5.532 2.541 1.00 73.42 H new ATOM 0 HG22 ILE A 68 3.283 -5.246 2.245 1.00 73.42 H new ATOM 0 HG23 ILE A 68 2.773 -6.350 3.544 1.00 73.42 H new ATOM 0 HD11 ILE A 68 -0.711 -4.708 5.288 1.00 32.50 H new ATOM 0 HD12 ILE A 68 -0.233 -3.641 3.947 1.00 32.50 H new ATOM 0 HD13 ILE A 68 -0.052 -5.404 3.789 1.00 32.50 H new ATOM 1146 N TYR A 69 5.217 -2.865 3.044 1.00 0.54 N ATOM 1147 CA TYR A 69 6.301 -2.684 2.076 1.00 34.31 C ATOM 1148 C TYR A 69 7.678 -2.873 2.739 1.00 64.11 C ATOM 1149 O TYR A 69 8.609 -3.394 2.120 1.00 24.44 O ATOM 1150 CB TYR A 69 6.217 -1.305 1.419 1.00 22.23 C ATOM 1151 CG TYR A 69 7.310 -1.056 0.396 1.00 4.41 C ATOM 1152 CD1 TYR A 69 7.285 -1.690 -0.843 1.00 64.33 C ATOM 1153 CD2 TYR A 69 8.373 -0.201 0.673 1.00 21.11 C ATOM 1154 CE1 TYR A 69 8.287 -1.480 -1.771 1.00 53.12 C ATOM 1155 CE2 TYR A 69 9.371 0.015 -0.254 1.00 64.33 C ATOM 1156 CZ TYR A 69 9.325 -0.627 -1.472 1.00 5.40 C ATOM 1157 OH TYR A 69 10.331 -0.427 -2.389 1.00 71.12 O ATOM 0 H TYR A 69 4.666 -2.025 3.224 1.00 0.54 H new ATOM 0 HA TYR A 69 6.186 -3.446 1.306 1.00 34.31 H new ATOM 0 HB2 TYR A 69 5.246 -1.200 0.935 1.00 22.23 H new ATOM 0 HB3 TYR A 69 6.272 -0.539 2.192 1.00 22.23 H new ATOM 0 HD1 TYR A 69 6.470 -2.356 -1.083 1.00 64.33 H new ATOM 0 HD2 TYR A 69 8.417 0.301 1.628 1.00 21.11 H new ATOM 0 HE1 TYR A 69 8.256 -1.983 -2.726 1.00 53.12 H new ATOM 0 HE2 TYR A 69 10.186 0.686 -0.026 1.00 64.33 H new ATOM 0 HH TYR A 69 9.967 -0.501 -3.296 1.00 71.12 H new ATOM 1167 N LEU A 70 7.804 -2.445 3.996 1.00 14.24 N ATOM 1168 CA LEU A 70 9.033 -2.673 4.765 1.00 22.44 C ATOM 1169 C LEU A 70 9.332 -4.178 4.870 1.00 33.31 C ATOM 1170 O LEU A 70 10.491 -4.597 4.832 1.00 65.31 O ATOM 1171 CB LEU A 70 8.920 -2.049 6.165 1.00 42.05 C ATOM 1172 CG LEU A 70 8.767 -0.521 6.189 1.00 43.53 C ATOM 1173 CD1 LEU A 70 8.660 -0.011 7.625 1.00 14.21 C ATOM 1174 CD2 LEU A 70 9.931 0.152 5.462 1.00 10.24 C ATOM 0 H LEU A 70 7.076 -1.941 4.503 1.00 14.24 H new ATOM 0 HA LEU A 70 9.859 -2.192 4.240 1.00 22.44 H new ATOM 0 HB2 LEU A 70 8.064 -2.492 6.675 1.00 42.05 H new ATOM 0 HB3 LEU A 70 9.807 -2.318 6.738 1.00 42.05 H new ATOM 0 HG LEU A 70 7.846 -0.264 5.666 1.00 43.53 H new ATOM 0 HD11 LEU A 70 8.552 1.074 7.619 1.00 14.21 H new ATOM 0 HD12 LEU A 70 7.791 -0.459 8.106 1.00 14.21 H new ATOM 0 HD13 LEU A 70 9.560 -0.283 8.176 1.00 14.21 H new ATOM 0 HD21 LEU A 70 9.802 1.234 5.492 1.00 10.24 H new ATOM 0 HD22 LEU A 70 10.868 -0.115 5.950 1.00 10.24 H new ATOM 0 HD23 LEU A 70 9.954 -0.182 4.425 1.00 10.24 H new ATOM 1186 N LYS A 71 8.274 -4.985 4.979 1.00 41.33 N ATOM 1187 CA LYS A 71 8.409 -6.449 4.980 1.00 4.22 C ATOM 1188 C LYS A 71 9.029 -6.945 3.661 1.00 4.31 C ATOM 1189 O LYS A 71 9.810 -7.900 3.645 1.00 53.43 O ATOM 1190 CB LYS A 71 7.041 -7.109 5.204 1.00 41.20 C ATOM 1191 CG LYS A 71 6.376 -6.715 6.523 1.00 22.33 C ATOM 1192 CD LYS A 71 4.967 -7.294 6.654 1.00 51.02 C ATOM 1193 CE LYS A 71 4.960 -8.817 6.571 1.00 44.14 C ATOM 1194 NZ LYS A 71 5.727 -9.452 7.679 1.00 0.50 N ATOM 0 H LYS A 71 7.314 -4.653 5.068 1.00 41.33 H new ATOM 0 HA LYS A 71 9.075 -6.729 5.797 1.00 4.22 H new ATOM 0 HB2 LYS A 71 6.379 -6.842 4.380 1.00 41.20 H new ATOM 0 HB3 LYS A 71 7.162 -8.192 5.178 1.00 41.20 H new ATOM 0 HG2 LYS A 71 6.989 -7.062 7.355 1.00 22.33 H new ATOM 0 HG3 LYS A 71 6.329 -5.628 6.594 1.00 22.33 H new ATOM 0 HD2 LYS A 71 4.535 -6.982 7.605 1.00 51.02 H new ATOM 0 HD3 LYS A 71 4.334 -6.886 5.866 1.00 51.02 H new ATOM 0 HE2 LYS A 71 3.930 -9.174 6.595 1.00 44.14 H new ATOM 0 HE3 LYS A 71 5.383 -9.128 5.616 1.00 44.14 H new ATOM 0 HZ1 LYS A 71 5.636 -10.486 7.616 1.00 0.50 H new ATOM 0 HZ2 LYS A 71 6.730 -9.188 7.603 1.00 0.50 H new ATOM 0 HZ3 LYS A 71 5.352 -9.126 8.592 1.00 0.50 H new ATOM 1208 N LEU A 72 8.668 -6.288 2.558 1.00 42.23 N ATOM 1209 CA LEU A 72 9.248 -6.587 1.243 1.00 70.43 C ATOM 1210 C LEU A 72 10.716 -6.127 1.169 1.00 34.00 C ATOM 1211 O LEU A 72 11.578 -6.837 0.641 1.00 50.52 O ATOM 1212 CB LEU A 72 8.428 -5.902 0.136 1.00 11.21 C ATOM 1213 CG LEU A 72 8.913 -6.151 -1.304 1.00 0.35 C ATOM 1214 CD1 LEU A 72 8.795 -7.628 -1.676 1.00 4.32 C ATOM 1215 CD2 LEU A 72 8.143 -5.275 -2.294 1.00 55.35 C ATOM 0 H LEU A 72 7.973 -5.541 2.547 1.00 42.23 H new ATOM 0 HA LEU A 72 9.219 -7.667 1.097 1.00 70.43 H new ATOM 0 HB2 LEU A 72 7.394 -6.237 0.215 1.00 11.21 H new ATOM 0 HB3 LEU A 72 8.430 -4.828 0.320 1.00 11.21 H new ATOM 0 HG LEU A 72 9.967 -5.877 -1.356 1.00 0.35 H new ATOM 0 HD11 LEU A 72 9.144 -7.775 -2.698 1.00 4.32 H new ATOM 0 HD12 LEU A 72 9.403 -8.224 -0.996 1.00 4.32 H new ATOM 0 HD13 LEU A 72 7.753 -7.940 -1.600 1.00 4.32 H new ATOM 0 HD21 LEU A 72 8.502 -5.467 -3.305 1.00 55.35 H new ATOM 0 HD22 LEU A 72 7.080 -5.508 -2.236 1.00 55.35 H new ATOM 0 HD23 LEU A 72 8.298 -4.225 -2.047 1.00 55.35 H new ATOM 1227 N GLN A 73 10.993 -4.938 1.710 1.00 63.22 N ATOM 1228 CA GLN A 73 12.358 -4.392 1.745 1.00 22.41 C ATOM 1229 C GLN A 73 13.318 -5.308 2.520 1.00 34.45 C ATOM 1230 O GLN A 73 14.369 -5.689 2.004 1.00 20.11 O ATOM 1231 CB GLN A 73 12.359 -2.976 2.345 1.00 62.51 C ATOM 1232 CG GLN A 73 11.954 -1.891 1.347 1.00 0.42 C ATOM 1233 CD GLN A 73 12.985 -1.700 0.241 1.00 4.13 C ATOM 1234 OE1 GLN A 73 14.179 -1.896 0.450 1.00 4.44 O ATOM 1235 NE2 GLN A 73 12.539 -1.312 -0.939 1.00 63.13 N ATOM 0 H GLN A 73 10.290 -4.331 2.132 1.00 63.22 H new ATOM 0 HA GLN A 73 12.716 -4.337 0.717 1.00 22.41 H new ATOM 0 HB2 GLN A 73 11.677 -2.950 3.195 1.00 62.51 H new ATOM 0 HB3 GLN A 73 13.355 -2.753 2.728 1.00 62.51 H new ATOM 0 HG2 GLN A 73 10.993 -2.151 0.903 1.00 0.42 H new ATOM 0 HG3 GLN A 73 11.815 -0.948 1.877 1.00 0.42 H new ATOM 0 HE21 GLN A 73 11.541 -1.157 -1.081 1.00 63.13 H new ATOM 0 HE22 GLN A 73 13.192 -1.167 -1.709 1.00 63.13 H new